Peak 2 from nnoeabs.peaks (4.83, 9.08, 127.78 ppm; 3.04 A): 1 out of 2 assignments used, quality = 0.91: * HA ILE 3 + H LEU 4 OK 91 100 100 91 2.1-2.2 3.6=62, 3.2/4=37...(14) HA ILE 5 - H LEU 4 far 0 97 0 - 4.7-5.0 Violated in 0 structures by 0.00 A. Peak 3 from nnoeabs.peaks (1.81, 9.08, 127.78 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 3 + H LEU 4 OK 100 100 100 100 4.2-4.4 4.4=100 HG12 ILE 5 + H LEU 4 OK 52 100 70 75 4.3-6.8 10739/4=49, 2.1/1033=18...(6) Violated in 0 structures by 0.00 A. Peak 4 from nnoeabs.peaks (1.08, 9.08, 127.78 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.99: * QG2 ILE 3 + H LEU 4 OK 99 100 100 99 2.1-3.0 7305=89, 3.2/2=61...(13) HG2 LYS 2 - H LEU 4 far 9 94 10 - 4.5-7.8 HG2 LYS 53 - H LEU 4 far 0 92 0 - 5.4-10.7 Violated in 0 structures by 0.00 A. Peak 5 from nnoeabs.peaks (1.56, 9.08, 127.78 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 3 + H LEU 4 OK 100 100 100 100 4.6-5.1 3.2/4=81, 3.8/2=81...(7) HB VAL 78 + H LEU 4 OK 98 99 100 99 4.9-6.0 2.1/10665=86...(5) HG LEU 55 - H LEU 4 far 0 99 0 - 7.5-10.2 Violated in 0 structures by 0.00 A. Peak 6 from nnoeabs.peaks (1.22, 9.08, 127.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 3 + H LEU 4 OK 100 100 100 100 3.5-5.6 7307=100, 3.2/4=99...(7) Violated in 0 structures by 0.00 A. Peak 7 from nnoeabs.peaks (0.97, 9.08, 127.78 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 3 + H LEU 4 OK 100 100 100 100 2.8-4.7 3.0/4=80, 7308=80...(7) HD3 LYS 2 - H LEU 4 lone 5 94 35 16 5.1-8.2 6823/1034=14, 2329/2=1 HG13 ILE 56 - H LEU 4 far 0 90 0 - 7.7-10.2 Violated in 7 structures by 0.03 A. Peak 8 from nnoeabs.peaks (9.08, 8.77, 123.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 4 + H ILE 5 OK 100 100 100 100 4.1-4.5 4.6=100 H LEU 81 - H ILE 5 far 0 65 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 9 from nnoeabs.peaks (5.46, 8.77, 123.01 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 4 + H ILE 5 OK 98 100 100 98 2.1-2.3 3.6=94, 3.8/7313=33...(10) Violated in 0 structures by 0.00 A. Peak 10 from nnoeabs.peaks (1.44, 8.77, 123.01 ppm; 4.26 A): 4 out of 5 assignments used, quality = 1.00: HB3 LEU 4 + H ILE 5 OK 100 100 100 100 2.6-3.7 4.4=93, 3.0/9=75...(18) * HB2 LEU 4 + H ILE 5 OK 100 100 100 100 3.4-4.5 4.4=93, 3.0/9=75...(14) HG LEU 4 + H ILE 5 OK 78 81 100 97 3.7-5.1 2.1/7313=70, 3.7/9=65...(11) HG12 ILE 56 + H ILE 5 OK 48 92 95 55 4.1-6.8 4.6/9529=32, 2362/9=11...(7) HG3 ARG 30 - H ILE 5 far 0 77 0 - 7.2-11.3 Violated in 0 structures by 0.00 A. Peak 11 from nnoeabs.peaks (1.44, 8.77, 123.01 ppm; 4.26 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 4 + H ILE 5 OK 100 100 100 100 2.6-3.7 4.4=93, 3.0/9=75...(18) HB2 LEU 4 + H ILE 5 OK 100 100 100 100 3.4-4.5 4.4=93, 3.0/9=75...(14) HG LEU 4 + H ILE 5 OK 78 81 100 97 3.7-5.1 2.1/7313=70, 3.7/9=65...(11) HG12 ILE 56 + H ILE 5 OK 48 92 95 55 4.1-6.8 4.6/9529=32, 2362/9=11...(7) HG3 ARG 30 - H ILE 5 far 0 77 0 - 7.2-11.3 Violated in 0 structures by 0.00 A. Peak 12 from nnoeabs.peaks (1.45, 8.77, 123.01 ppm; 4.26 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 4 + H ILE 5 OK 98 100 100 98 3.7-5.1 2.1/7313=70, 3.7/9=65...(12) HB3 LEU 4 + H ILE 5 OK 80 81 100 100 2.6-3.7 4.4=93, 3.0/9=75...(16) HB2 LEU 4 + H ILE 5 OK 80 81 100 100 3.4-4.5 4.4=93, 3.0/9=75...(14) HB3 LEU 6 - H ILE 5 far 0 97 0 - 6.6-7.1 HG12 ILE 7 - H ILE 5 far 0 96 0 - 6.8-8.4 HG3 ARG 30 - H ILE 5 far 0 100 0 - 7.2-11.3 HG12 ILE 57 - H ILE 5 far 0 94 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 13 from nnoeabs.peaks (0.64, 8.77, 123.01 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 4 + H ILE 5 OK 99 100 100 99 4.1-4.6 7313=81, 3.8/9=58...(12) QD1 ILE 5 + H ILE 5 OK 57 65 100 87 2.4-4.3 5.0=54, 2439/3.9=27...(9) QD1 ILE 56 - H ILE 5 poor 19 61 65 49 4.9-6.2 4.9/9529=27, 2.1/11=10...(7) QD1 ILE 71 - H ILE 5 poor 10 87 35 33 5.1-6.5 9777/4.4=11, 9777/4.4=11...(6) QG1 VAL 22 - H ILE 5 far 0 99 0 - 5.9-7.2 QD1 ILE 54 - H ILE 5 far 0 97 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 14 from nnoeabs.peaks (0.68, 8.77, 123.01 ppm; 4.26 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 4 + H ILE 5 OK 99 100 100 99 3.3-5.3 2.1/7313=70, 3.8/9=63...(15) QD1 LEU 55 + H ILE 5 OK 94 98 100 96 2.7-5.2 10939/3.9=59...(9) QD1 ILE 56 + H ILE 5 OK 32 70 85 55 4.9-6.2 4.9/9529=30, 2366/9=12...(7) QG2 ILE 56 - H ILE 5 poor 18 73 25 - 3.0-7.0 QG2 ILE 97 - H ILE 5 far 0 99 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 16 from nnoeabs.peaks (4.83, 9.23, 129.32 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.94: * HA ILE 5 + H LEU 6 OK 94 100 100 94 2.1-2.2 3.6=80, 3.2/20=46...(8) HA ILE 3 - H LEU 6 far 0 97 0 - 7.9-8.9 HA ILE 54 - H LEU 6 far 0 84 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 17 from nnoeabs.peaks (1.65, 9.23, 129.32 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 5 + H LEU 6 OK 100 100 100 100 3.8-4.4 4.5=100 HG LEU 64 - H LEU 6 far 10 99 10 - 6.2-8.3 HB3 LEU 64 - H LEU 6 far 0 70 0 - 8.3-9.8 HB ILE 116 - H LEU 6 far 0 73 0 - 9.0-10.6 HB2 ARG 30 - H LEU 6 far 0 96 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 18 from nnoeabs.peaks (0.84, 9.23, 129.32 ppm; 3.48 A): 1 out of 7 assignments used, quality = 0.94: * QG2 ILE 5 + H LEU 6 OK 94 100 100 94 2.4-2.8 7317=72, 3.2/16=53...(9) HG13 ILE 5 - H LEU 6 far 15 99 15 - 4.7-5.6 QG2 ILE 57 - H LEU 6 far 0 100 0 - 5.8-9.0 HG13 ILE 57 - H LEU 6 far 0 65 0 - 7.5-10.3 QD2 LEU 82 - H LEU 6 far 0 73 0 - 7.9-10.2 QG2 VAL 22 - H LEU 6 far 0 84 0 - 8.3-10.3 QG2 ILE 15 - H LEU 6 far 0 98 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 20 from nnoeabs.peaks (0.85, 9.23, 129.32 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.92: QG2 ILE 5 + H LEU 6 OK 92 99 100 93 2.4-2.8 7317=71, 3.2/16=53...(9) ! HG13 ILE 5 - H LEU 6 far 15 100 15 - 4.7-5.6 QG2 ILE 57 - H LEU 6 far 0 98 0 - 5.8-9.0 QG2 VAL 117 - H LEU 6 far 0 61 0 - 6.7-8.0 HG13 ILE 57 - H LEU 6 far 0 84 0 - 7.5-10.3 QG2 VAL 22 - H LEU 6 far 0 96 0 - 8.3-10.3 QG2 THR 9 - H LEU 6 far 0 70 0 - 8.4-9.5 QG2 ILE 15 - H LEU 6 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 21 from nnoeabs.peaks (0.62, 9.23, 129.32 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + H LEU 6 OK 99 100 100 99 3.7-5.3 3.0/18=82, 4.2/16=66...(9) QG1 VAL 78 + H LEU 6 OK 93 94 100 99 1.9-2.6 4.1/9070=51...(16) QD1 LEU 4 - H LEU 6 far 0 65 0 - 6.3-7.1 QG1 VAL 22 - H LEU 6 far 0 81 0 - 7.3-8.3 QD1 ILE 18 - H LEU 6 far 0 90 0 - 7.6-8.4 QD1 ILE 54 - H LEU 6 far 0 90 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 23 from nnoeabs.peaks (5.35, 8.93, 120.75 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.97: * HA LEU 6 + H ILE 7 OK 97 100 100 97 2.1-2.2 7321=74, 2450/28=38...(13) Violated in 0 structures by 0.00 A. Peak 24 from nnoeabs.peaks (1.51, 8.93, 120.75 ppm; 4.16 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 6 + H ILE 7 OK 100 100 100 100 4.3-4.6 3.0/23=79, 3.1/28=73...(9) HG LEU 6 + H ILE 7 OK 87 87 100 100 4.1-4.9 2.1/28=89, 3.6/23=67...(8) HB3 ARG 30 - H ILE 7 far 0 98 0 - 7.5-9.7 HB3 LEU 14 - H ILE 7 far 0 92 0 - 8.3-11.0 HG2 ARG 30 - H ILE 7 far 0 90 0 - 9.2-10.8 Violated in 1 structures by 0.00 A. Peak 25 from nnoeabs.peaks (1.46, 8.93, 120.75 ppm; 3.73 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 6 + H ILE 7 OK 99 100 100 99 3.6-4.1 3.0/23=67, 2482/28=67...(11) HG12 ILE 7 + H ILE 7 OK 99 100 100 99 3.7-4.8 2.1/1055=71, 1.8/1054=57...(12) HG12 ILE 57 + H ILE 7 OK 27 100 35 76 4.2-6.8 4.2/9078=31, 2.1/9581=29...(9) HG LEU 80 - H ILE 7 far 0 70 0 - 5.4-8.2 HG3 ARG 30 - H ILE 7 far 0 98 0 - 8.5-11.4 HG LEU 4 - H ILE 7 far 0 97 0 - 8.5-10.8 HB3 LEU 38 - H ILE 7 far 0 100 0 - 9.4-10.5 Violated in 1 structures by 0.00 A. Peak 27 from nnoeabs.peaks (0.73, 8.93, 120.75 ppm; 3.33 A): 2 out of 10 assignments used, quality = 0.99: * QD2 LEU 6 + H ILE 7 OK 94 100 100 94 2.9-4.2 2449/23=45, 11612=39...(9) QG2 ILE 7 + H ILE 7 OK 90 94 100 96 3.8-3.9 4.0=56, 2.1/1051=54...(8) QD2 LEU 55 - H ILE 7 far 15 100 15 - 4.3-6.3 QG1 VAL 117 - H ILE 7 far 0 81 0 - 5.1-6.5 QG2 ILE 18 - H ILE 7 far 0 70 0 - 5.3-6.6 QG2 VAL 78 - H ILE 7 far 0 92 0 - 6.7-7.8 HG13 ILE 18 - H ILE 7 far 0 98 0 - 7.2-9.4 QG2 ILE 54 - H ILE 7 far 0 90 0 - 7.3-9.0 QD1 LEU 63 - H ILE 7 far 0 98 0 - 7.9-9.2 QD1 LEU 45 - H ILE 7 far 0 61 0 - 9.8-11.1 Violated in 17 structures by 0.10 A. Peak 28 from nnoeabs.peaks (0.71, 8.93, 120.75 ppm; 3.33 A): 1 out of 8 assignments used, quality = 0.95: * QD1 LEU 6 + H ILE 7 OK 95 100 100 95 1.7-2.6 2450/23=45, 7326=39...(10) QD1 ILE 57 - H ILE 7 far 5 96 5 - 4.4-6.5 QD2 LEU 81 - H ILE 7 far 0 94 0 - 5.1-5.7 QG1 VAL 117 - H ILE 7 far 0 98 0 - 5.1-6.5 QG2 ILE 18 - H ILE 7 far 0 100 0 - 5.3-6.6 QG2 VAL 78 - H ILE 7 far 0 92 0 - 6.7-7.8 HG13 ILE 18 - H ILE 7 far 0 81 0 - 7.2-9.4 QD2 LEU 63 - H ILE 7 far 0 98 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 30 from nnoeabs.peaks (5.18, 8.63, 125.54 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.91: * HA ILE 7 + H ASN 8 OK 91 100 100 91 2.1-2.2 3.6=68, 3.2/32=42...(8) Violated in 0 structures by 0.00 A. Peak 31 from nnoeabs.peaks (1.89, 8.63, 125.54 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 7 + H ASN 8 OK 100 100 100 100 3.9-4.4 4.5=100 QE MET 67 - H ASN 8 far 4 87 5 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 32 from nnoeabs.peaks (0.74, 8.63, 125.54 ppm; 3.38 A): 1 out of 9 assignments used, quality = 0.94: * QG2 ILE 7 + H ASN 8 OK 94 100 100 94 2.1-2.8 3.8=68, 3.2/30=53...(6) QD2 LEU 6 - H ASN 8 far 0 94 0 - 5.5-7.0 QG1 VAL 107 - H ASN 8 far 0 61 0 - 5.9-7.4 QD2 LEU 55 - H ASN 8 far 0 96 0 - 7.0-8.7 QD2 LEU 14 - H ASN 8 far 0 61 0 - 7.5-8.9 HG13 ILE 18 - H ASN 8 far 0 77 0 - 7.8-8.8 QD1 LEU 63 - H ASN 8 far 0 100 0 - 9.0-10.0 QG2 VAL 78 - H ASN 8 far 0 61 0 - 9.3-10.3 QG2 VAL 32 - H ASN 8 far 0 61 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 33 from nnoeabs.peaks (1.46, 8.63, 125.54 ppm; 4.96 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 7 + H ASN 8 OK 100 100 100 100 4.2-5.6 3.2/32=89, 3.8/30=84...(6) HB3 LEU 6 + H ASN 8 OK 73 100 100 73 5.2-5.9 2490/30=29, 1053/4.7=28...(6) HG LEU 80 + H ASN 8 OK 30 65 90 51 3.2-6.6 11395/9098=33...(3) HG12 ILE 57 - H ASN 8 far 0 100 0 - 7.1-9.5 HG2 LYS 106 - H ASN 8 far 0 100 0 - 7.7-12.3 Violated in 0 structures by 0.00 A. Peak 36 from nnoeabs.peaks (8.63, 8.04, 118.49 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 8 + H THR 9 OK 100 100 100 100 4.0-4.2 4.6=100 H ASN 8 - H LYS 65 far 0 79 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 37 from nnoeabs.peaks (5.90, 8.04, 118.49 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.92: * HA ASN 8 + H THR 9 OK 92 100 100 92 2.2-2.2 7333=61, 3.0/39=28...(10) HA ASN 8 - H LYS 65 far 0 79 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 38 from nnoeabs.peaks (2.89, 8.04, 118.49 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 8 + H THR 9 OK 100 100 100 100 4.2-4.6 3.0/37=86, 4.6=83...(8) HB2 ASN 10 - H THR 9 far 12 77 15 - 5.7-6.9 HB2 ASN 8 - H LYS 65 far 0 79 0 - 6.8-8.1 Violated in 18 structures by 0.07 A. Peak 39 from nnoeabs.peaks (2.27, 8.04, 118.49 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 8 + H THR 9 OK 100 100 100 100 4.2-4.6 3.0/37=83, 4.6=75...(9) HB3 ASN 8 - H LYS 65 far 0 79 0 - 5.7-6.9 HG2 GLU 69 - H LYS 65 far 0 79 0 - 6.0-9.2 Violated in 20 structures by 0.21 A. Peak 40 from nnoeabs.peaks (7.37, 8.04, 118.49 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.99: * HD21 ASN 8 + H THR 9 OK 99 100 100 99 3.2-5.6 9093=74, 823/37=64...(7) HD21 ASN 8 - H LYS 65 far 8 79 10 - 4.3-8.2 Violated in 3 structures by 0.08 A. Peak 41 from nnoeabs.peaks (6.25, 8.04, 118.49 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 8 + H THR 9 OK 100 100 100 100 4.1-5.5 1.7/40=94, 829/37=77...(8) HD22 ASN 8 - H LYS 65 poor 18 79 35 65 4.7-7.6 9107/4.7=34, 10747=22...(4) Violated in 1 structures by 0.03 A. 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 100 100 100 100 4.4-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 43 from nnoeabs.peaks (4.74, 8.44, 123.27 ppm; 3.12 A): 1 out of 1 assignment used, quality = 0.89: * HA THR 9 + H ASN 10 OK 89 100 100 89 2.2-2.3 3.6=67, 3.0/44=30...(6) Violated in 0 structures by 0.00 A. Peak 44 from nnoeabs.peaks (4.32, 8.44, 123.27 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 9 + H ASN 10 OK 100 100 100 100 3.0-4.0 4.7=86, 3.0/43=85...(8) HA GLN 85 - H ASN 10 far 0 84 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 45 from nnoeabs.peaks (0.86, 8.44, 123.27 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 9 + H ASN 10 OK 100 100 100 100 3.7-4.2 4.0=100 QD1 LEU 14 - H ASN 10 far 0 99 0 - 6.0-6.9 QD2 LEU 90 - H ASN 10 far 0 61 0 - 6.8-8.5 QG2 ILE 15 - H ASN 10 far 0 73 0 - 7.4-8.3 QG2 VAL 107 - H ASN 10 far 0 99 0 - 7.5-9.4 QG2 VAL 117 - H ASN 10 far 0 100 0 - 8.9-10.0 Violated in 2 structures by 0.00 A. Peak 46 from nnoeabs.peaks (8.44, 8.37, 120.92 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.95: * H ASN 10 + H ASN 11 OK 95 100 100 95 2.1-2.3 1859=80, 9128/9132=33...(7) H GLN 83 - H ASN 11 far 0 100 0 - 6.1-7.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 48 from nnoeabs.peaks (2.91, 8.37, 120.92 ppm; 5.07 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 10 + H ASN 11 OK 100 100 100 100 3.2-4.1 4.4=100 HE3 LYS 17 - H ASN 11 far 0 98 0 - 7.8-11.8 HB2 ASN 8 - H ASN 11 far 0 77 0 - 8.1-8.8 HE2 LYS 16 - H ASN 11 far 0 99 0 - 8.8-11.9 HE3 LYS 16 - H ASN 11 far 0 99 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 53 from nnoeabs.peaks (4.69, 8.59, 126.31 ppm; 2.85 A): 1 out of 2 assignments used, quality = 0.73: * HA ASN 11 + H ASP 12 OK 73 100 100 73 2.1-2.3 7342=73 HA ASN 59 - H ASP 12 far 0 65 0 - 7.2-9.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 58 from nnoeabs.peaks (8.59, 8.29, 119.33 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + H GLU 13 OK 100 100 100 100 2.3-2.7 1861=100, 1972/62=31...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 60 from nnoeabs.peaks (2.64, 8.29, 119.33 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.97: * HB2 ASP 12 + H GLU 13 OK 82 100 100 82 2.6-3.7 4.6=40, 4.0/1861=39...(7) HB3 ASP 12 + H GLU 13 OK 82 100 100 82 3.6-4.1 4.6=40, 4.0/1861=39...(7) Violated in 1 structures by 0.00 A. Peak 61 from nnoeabs.peaks (2.64, 8.29, 119.33 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.97: HB2 ASP 12 + H GLU 13 OK 82 100 100 82 2.6-3.7 4.6=40, 4.0/1861=39...(7) * HB3 ASP 12 + H GLU 13 OK 82 100 100 82 3.6-4.1 4.6=40, 4.0/1861=39...(7) Violated in 1 structures by 0.00 A. Peak 62 from nnoeabs.peaks (8.29, 7.58, 121.68 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 13 + H LEU 14 OK 99 100 100 99 2.6-2.9 1862=90, 1085/65=40...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 64 from nnoeabs.peaks (2.06, 7.58, 121.68 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLU 13 + H LEU 14 OK 99 100 100 99 3.0-3.8 1.8/65=79, 4.4=63...(6) Violated in 2 structures by 0.00 A. Peak 65 from nnoeabs.peaks (2.16, 7.58, 121.68 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLU 13 + H LEU 14 OK 99 100 100 99 2.3-3.1 1.8/64=69, 1085/62=62...(6) Violated in 0 structures by 0.00 A. Peak 66 from nnoeabs.peaks (2.36, 7.58, 121.68 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 13 + H LEU 14 OK 100 100 100 100 4.3-5.0 2627/65=88, 2626/64=86...(7) Violated in 12 structures by 0.04 A. Peak 67 from nnoeabs.peaks (2.31, 7.58, 121.68 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 13 + H LEU 14 OK 100 100 100 100 3.8-4.8 7352=96, 2633/65=90...(6) Violated in 11 structures by 0.01 A. Peak 68 from nnoeabs.peaks (7.58, 8.24, 119.48 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 14 + H ILE 15 OK 98 100 100 98 2.4-3.1 1863=86, 4.0/71=30...(12) H LYS 17 + H ILE 15 OK 75 98 100 77 3.8-4.4 1865/75=46, 1988/3.6=18...(11) Violated in 0 structures by 0.00 A. Peak 69 from nnoeabs.peaks (3.98, 8.24, 119.48 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 14 + H ILE 15 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 17 - H ILE 15 far 0 97 0 - 6.5-7.1 HA GLU 111 - H ILE 15 far 0 100 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 70 from nnoeabs.peaks (1.82, 8.24, 119.48 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 14 + H ILE 15 OK 100 100 100 100 2.5-3.6 1.8/71=77, 1090/1863=60...(14) HB ILE 18 + H ILE 15 OK 64 100 75 86 4.5-5.5 7985/2.9=51, ~9190=23...(9) HB ILE 57 - H ILE 15 far 0 100 0 - 6.2-9.0 HB3 LYS 19 - H ILE 15 far 0 90 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. Peak 71 from nnoeabs.peaks (1.50, 8.24, 119.48 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LEU 14 + H ILE 15 OK 98 100 100 98 2.5-3.6 4.6=50, 4.0/1863=46...(14) HD3 LYS 17 - H ILE 15 far 0 61 0 - 5.4-7.2 HG2 LYS 20 - H ILE 15 far 0 96 0 - 8.1-12.2 Violated in 0 structures by 0.00 A. Peak 72 from nnoeabs.peaks (1.38, 8.24, 119.48 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.99: * HG LEU 14 + H ILE 15 OK 99 100 100 99 4.8-5.5 3.0/71=75, 1092/1863=58...(9) HG3 LYS 16 + H ILE 15 OK 28 65 65 66 3.6-6.1 5.0/1864=48, 9179/2.9=18...(4) HB3 LEU 114 - H ILE 15 far 0 61 0 - 6.5-9.8 Violated in 13 structures by 0.20 A. Peak 73 from nnoeabs.peaks (0.86, 8.24, 119.48 ppm; 3.18 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + H ILE 15 OK 94 100 100 94 4.4-4.6 3.1/71=41, 4.3/1863=30...(13) QG2 THR 9 + H ILE 15 OK 91 99 100 91 2.4-3.9 9116/1099=33, 9125=32...(14) QG2 ILE 15 + H ILE 15 OK 85 87 100 98 3.7-3.8 2.1/1097=52, 4.1=48...(13) QG2 ILE 57 - H ILE 15 far 3 61 5 - 4.5-6.5 QG2 VAL 117 - H ILE 15 far 0 98 0 - 6.9-8.6 HG13 ILE 57 - H ILE 15 far 0 100 0 - 7.3-9.9 QG2 VAL 22 - H ILE 15 far 0 99 0 - 8.3-9.1 QG2 VAL 107 - H ILE 15 far 0 94 0 - 9.1-11.1 QG2 ILE 5 - H ILE 15 far 0 65 0 - 9.7-11.5 Violated in 2 structures by 0.01 A. Peak 74 from nnoeabs.peaks (0.76, 8.24, 119.48 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: QD1 ILE 15 + H ILE 15 OK 100 100 100 100 2.9-3.6 2713=60, 2.1/1099=60...(14) * QD2 LEU 14 + H ILE 15 OK 93 100 100 93 4.1-4.5 3.1/71=44, 4.3/1863=33...(12) QG2 ILE 7 - H ILE 15 far 0 61 0 - 5.0-6.4 QD1 ILE 7 - H ILE 15 far 0 99 0 - 7.2-9.1 QG1 VAL 107 - H ILE 15 far 0 100 0 - 8.5-9.9 Violated in 15 structures by 0.04 A. Peak 75 from nnoeabs.peaks (8.24, 7.60, 117.60 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + H LYS 16 OK 100 100 100 100 2.6-3.1 1864=100, 1097/77=56...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 77 from nnoeabs.peaks (1.92, 7.60, 117.60 ppm; 2.74 A): 1 out of 6 assignments used, quality = 0.92: * HB ILE 15 + H LYS 16 OK 92 100 100 92 2.0-2.3 2.1/78=52, 2.9/79=35...(8) HB3 LYS 17 - H LYS 16 far 0 97 0 - 4.6-6.2 HB ILE 71 - H LEU 74 far 0 56 0 - 4.9-5.5 HB2 LEU 45 - H LEU 74 far 0 84 0 - 7.1-9.2 HB3 LYS 43 - H LEU 74 far 0 75 0 - 9.2-12.2 HB2 LYS 43 - H LEU 74 far 0 91 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 78 from nnoeabs.peaks (0.85, 7.60, 117.60 ppm; 2.97 A): 1 out of 7 assignments used, quality = 0.96: * QG2 ILE 15 + H LYS 16 OK 96 100 100 96 3.3-3.5 2.1/77=66, 3.2/79=38...(11) QG2 THR 9 - H LYS 16 far 0 73 0 - 5.0-6.0 QG2 ILE 57 - H LYS 16 far 0 97 0 - 5.5-7.2 QD1 LEU 14 - H LYS 16 far 0 87 0 - 5.7-6.3 HG13 ILE 57 - H LYS 16 far 0 87 0 - 7.5-10.1 QG2 VAL 22 - H LYS 16 far 0 97 0 - 7.8-8.3 QG2 VAL 117 - H LYS 16 far 0 65 0 - 8.1-9.7 Violated in 20 structures by 0.43 A. Peak 79 from nnoeabs.peaks (1.73, 7.60, 117.60 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.97: * HG12 ILE 15 + H LYS 16 OK 97 100 100 97 3.6-3.8 2.9/77=65, 3.2/78=55...(7) HB2 LEU 114 - H LYS 16 far 0 94 0 - 7.4-11.2 Violated in 20 structures by 0.31 A. Peak 80 from nnoeabs.peaks (0.64, 7.60, 117.60 ppm; 4.99 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 15 + H LYS 16 OK 100 100 100 100 4.3-4.7 1.8/79=100, 2.9/77=98...(7) QD1 ILE 71 + H LEU 74 OK 34 60 70 81 4.6-6.7 4.2/9790=56...(7) QD1 LEU 4 - H LEU 74 far 5 94 5 - 6.4-8.9 QG1 VAL 22 - H LYS 16 far 0 100 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 81 from nnoeabs.peaks (0.76, 7.60, 117.60 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 15 + H LYS 16 OK 100 100 100 100 3.8-4.5 2.1/79=86, 3.0/78=79...(8) QD1 LEU 45 - H LEU 74 far 4 86 5 - 5.5-8.0 QD2 LEU 14 - H LYS 16 far 0 100 0 - 5.8-6.5 QD1 ILE 7 - H LYS 16 far 0 100 0 - 8.2-10.2 QD2 LEU 80 - H LEU 74 far 0 81 0 - 9.8-13.8 Violated in 15 structures by 0.13 A. Peak 82 from nnoeabs.peaks (7.60, 7.58, 118.83 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 16 + H LYS 17 OK 100 100 100 100 2.7-2.8 1865=100, 1106/86=18...(11) H LYS 115 - H LYS 17 far 0 84 0 - 9.4-11.0 Violated in 20 structures by 0.26 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 84 from nnoeabs.peaks (1.88, 7.58, 118.83 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 16 + H LYS 17 OK 97 100 100 97 2.4-4.1 7367=50, 4.0/1865=45...(13) * HB2 LYS 16 + H LYS 17 OK 97 100 100 97 2.4-4.1 7366=50, 4.0/1865=45...(13) HB3 LYS 20 - H LYS 17 far 0 92 0 - 5.3-7.9 HB2 LYS 20 - H LYS 17 far 0 92 0 - 6.3-7.4 HB ILE 7 - H LYS 17 far 0 87 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 85 from nnoeabs.peaks (1.88, 7.58, 118.83 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 16 + H LYS 17 OK 97 100 100 97 2.4-4.1 7367=50, 4.0/1865=45...(13) HB2 LYS 16 + H LYS 17 OK 97 100 100 97 2.4-4.1 7366=50, 4.0/1865=45...(13) HB3 LYS 20 - H LYS 17 far 0 94 0 - 5.3-7.9 HB2 LYS 20 - H LYS 17 far 0 94 0 - 6.3-7.4 HB ILE 7 - H LYS 17 far 0 90 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 86 from nnoeabs.peaks (1.63, 7.58, 118.83 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 16 + H LYS 17 OK 100 100 100 100 2.7-4.4 1106/1865=93, 1.8/87=78...(13) Violated in 4 structures by 0.01 A. Peak 87 from nnoeabs.peaks (1.40, 7.58, 118.83 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 16 + H LYS 17 OK 100 100 100 100 2.5-4.5 7369=81, 1107/1865=81...(15) HB3 LEU 114 - H LYS 17 far 10 100 10 - 5.5-8.3 HG LEU 14 - H LYS 17 far 0 65 0 - 6.9-7.6 QB ALA 113 - H LYS 17 far 0 81 0 - 7.2-8.4 Violated in 13 structures by 0.12 A. Peak 88 from nnoeabs.peaks (1.69, 7.58, 118.83 ppm; 4.14 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 16 + H LYS 17 OK 99 100 100 99 4.6-5.3 2.9/87=59, 2.9/86=58...(8) HD2 LYS 17 + H LYS 17 OK 99 99 100 100 3.6-5.0 3.0/1117=68...(19) HD3 LYS 16 + H LYS 17 OK 99 100 100 99 4.6-5.6 2.9/87=59, 2.9/86=58...(9) HD3 LYS 20 - H LYS 17 poor 20 100 20 - 5.5-8.2 HD2 LYS 20 - H LYS 17 far 0 100 0 - 6.3-9.4 Violated in 1 structures by 0.00 A. Peak 89 from nnoeabs.peaks (1.69, 7.58, 118.83 ppm; 4.14 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 16 + H LYS 17 OK 99 100 100 99 4.6-5.6 2.9/87=59, 2.9/86=58...(9) HD2 LYS 16 + H LYS 17 OK 99 100 100 99 4.6-5.3 2.9/87=59, 2.9/86=58...(8) HD2 LYS 17 + H LYS 17 OK 96 96 100 100 3.6-5.0 3.0/1117=68...(19) HD3 LYS 20 - H LYS 17 poor 20 100 20 - 5.5-8.2 HD2 LYS 20 - H LYS 17 far 0 100 0 - 6.3-9.4 Violated in 1 structures by 0.00 A. Peak 92 from nnoeabs.peaks (7.58, 8.79, 120.96 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 17 + H ILE 18 OK 98 100 100 98 2.6-3.0 1866=84, 1114/94=39...(12) H LEU 14 - H ILE 18 far 0 98 0 - 5.4-5.9 Violated in 0 structures by 0.00 A. Peak 93 from nnoeabs.peaks (3.99, 8.79, 120.96 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 17 + H ILE 18 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 14 + H ILE 18 OK 95 97 100 98 3.0-3.9 7979/95=48, 7977/94=47...(14) HA GLU 111 - H ILE 18 far 0 99 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 94 from nnoeabs.peaks (1.99, 8.79, 120.96 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LYS 17 + H ILE 18 OK 99 100 100 99 2.3-4.0 1.8/95=76, 1114/92=62...(9) HB VAL 22 - H ILE 18 far 0 94 0 - 8.4-9.1 Violated in 1 structures by 0.00 A. Peak 95 from nnoeabs.peaks (1.92, 8.79, 120.96 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LYS 17 + H ILE 18 OK 99 100 100 99 2.1-3.4 1.8/94=73, 4.6=56...(10) HB ILE 15 - H ILE 18 far 10 97 10 - 5.2-6.0 HB2 LEU 81 - H ILE 18 far 0 100 0 - 9.4-10.9 HB3 LYS 115 - H ILE 18 far 0 87 0 - 9.5-12.0 HB2 LYS 115 - H ILE 18 far 0 98 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 96 from nnoeabs.peaks (1.75, 8.79, 120.96 ppm; 3.24 A): 2 out of 4 assignments used, quality = 0.98: HG12 ILE 18 + H ILE 18 OK 90 92 100 98 1.8-3.4 2.1/1128=53, 2.9/2907=44...(16) * HG2 LYS 17 + H ILE 18 OK 77 100 85 91 2.1-5.2 3.0/95=42, 3.0/94=41...(7) HB2 LEU 114 - H ILE 18 far 9 57 15 - 3.5-6.9 HB2 LEU 55 - H ILE 18 far 0 98 0 - 9.2-11.1 Violated in 1 structures by 0.00 A. Peak 97 from nnoeabs.peaks (1.43, 8.79, 120.96 ppm; 5.35 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + H ILE 18 OK 100 100 100 100 2.6-5.1 3.0/95=92, 3.0/94=92...(8) QB ALA 113 + H ILE 18 OK 37 61 75 80 5.8-7.2 10421/1128=39...(7) HB3 GLN 83 - H ILE 18 far 0 94 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 102 from nnoeabs.peaks (8.79, 8.53, 118.32 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.99: * H ILE 18 + H LYS 19 OK 99 100 100 99 2.4-2.9 1867=94, 2907/7384=37...(11) H VAL 29 - H LYS 19 far 0 94 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 104 from nnoeabs.peaks (1.82, 8.53, 118.32 ppm; 3.13 A): 2 out of 5 assignments used, quality = 0.98: * HB ILE 18 + H LYS 19 OK 92 100 100 92 2.5-3.2 7384=41, 2907/102=34...(17) HB3 LYS 19 + H LYS 19 OK 82 84 100 98 2.1-2.5 1.8/1131=68, 4.0=48...(14) HB2 LEU 14 - H LYS 19 far 0 100 0 - 5.9-7.6 HB ILE 57 - H LYS 19 far 0 100 0 - 6.9-8.7 QE MET 121 - H LYS 19 far 0 94 0 - 7.6-12.5 Violated in 0 structures by 0.00 A. Peak 105 from nnoeabs.peaks (0.72, 8.53, 118.32 ppm; 3.59 A): 3 out of 7 assignments used, quality = 1.00: * QG2 ILE 18 + H LYS 19 OK 100 100 100 100 2.4-3.8 3.7=89, 2.1/7384=53...(15) QD1 ILE 57 + H LYS 19 OK 63 90 90 78 3.8-5.4 4530=23, 9559/7986=18...(14) HG13 ILE 18 + H LYS 19 OK 41 90 50 90 5.0-5.2 2.9/7384=46, 2.1/108=40...(10) QD2 LEU 55 - H LYS 19 poor 10 65 35 43 4.6-6.8 9504/3.0=23...(6) QG1 VAL 117 - H LYS 19 far 0 100 0 - 5.9-8.0 QD2 LEU 81 - H LYS 19 far 0 87 0 - 6.7-7.9 QD1 LEU 6 - H LYS 19 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 108 from nnoeabs.peaks (0.61, 8.53, 118.32 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 18 + H LYS 19 OK 100 100 100 100 4.1-4.9 2920/3.7=87, 1128/102=77...(12) QD1 ILE 5 - H LYS 19 far 0 90 0 - 8.6-11.9 Violated in 6 structures by 0.01 A. Peak 109 from nnoeabs.peaks (8.53, 7.30, 116.28 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 19 + H LYS 20 OK 99 100 100 99 2.6-2.9 1868=85, 1131/111=53...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 111 from nnoeabs.peaks (1.79, 7.30, 116.28 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.98: * HB2 LYS 19 + H LYS 20 OK 98 100 100 98 3.2-3.6 1.8/112=86, 1131/109=50...(8) HB2 ARG 118 - H LYS 20 far 0 90 0 - 10.0-12.8 Violated in 2 structures by 0.01 A. Peak 112 from nnoeabs.peaks (1.83, 7.30, 116.28 ppm; 2.92 A): 1 out of 5 assignments used, quality = 0.85: * HB3 LYS 19 + H LYS 20 OK 85 100 100 85 2.7-3.1 1.8/111=51, 7391=33...(8) HB ILE 18 - H LYS 20 far 0 84 0 - 5.0-5.3 QE MET 121 - H LYS 20 far 0 99 0 - 7.7-12.2 HB2 LEU 14 - H LYS 20 far 0 90 0 - 8.3-9.9 HB ILE 57 - H LYS 20 far 0 90 0 - 9.4-11.3 Violated in 9 structures by 0.03 A. 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 100 100 100 100 5.0-5.3 5.0=100 Violated in 0 structures by 0.00 A. Peak 114 from nnoeabs.peaks (1.60, 7.30, 116.28 ppm; 4.53 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 19 + H LYS 20 OK 100 100 100 100 4.4-5.3 3.0/112=90, 3.0/111=82...(8) HD3 LYS 19 + H LYS 20 OK 93 100 95 98 4.9-6.3 3.6/112=80, 3.6/111=72...(8) HD2 LYS 19 + H LYS 20 OK 79 100 80 98 5.0-6.5 3.6/112=80, 3.6/111=72...(8) Violated in 0 structures by 0.00 A. Peak 119 from nnoeabs.peaks (7.30, 7.67, 118.49 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + H GLU 21 OK 100 100 100 100 2.5-2.7 1869=100, 3.0/120=58...(10) Violated in 0 structures by 0.00 A. Peak 120 from nnoeabs.peaks (4.09, 7.67, 118.49 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 20 + H GLU 21 OK 100 100 100 100 3.6-3.6 3.6=97, 3.0/1869=60...(6) Violated in 20 structures by 0.04 A. Peak 121 from nnoeabs.peaks (1.89, 7.67, 118.49 ppm; 3.15 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 20 + H GLU 21 OK 94 100 100 94 2.1-3.8 2.9/123=50, 3.0/120=43...(6) * HB2 LYS 20 + H GLU 21 OK 94 100 100 94 2.2-3.9 2.9/123=50, 3.0/120=43...(6) HB3 ARG 118 - H GLU 21 far 0 61 0 - 6.9-10.7 HB2 LYS 16 - H GLU 21 far 0 92 0 - 7.1-8.3 HB3 LYS 16 - H GLU 21 far 0 94 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 122 from nnoeabs.peaks (1.89, 7.67, 118.49 ppm; 3.15 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 20 + H GLU 21 OK 94 100 100 94 2.1-3.8 2.9/123=50, 3.0/120=43...(6) HB2 LYS 20 + H GLU 21 OK 94 100 100 94 2.2-3.9 2.9/123=50, 3.0/120=43...(6) HB3 ARG 118 - H GLU 21 far 0 61 0 - 6.9-10.7 HB2 LYS 16 - H GLU 21 far 0 92 0 - 7.1-8.3 HB3 LYS 16 - H GLU 21 far 0 94 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 123 from nnoeabs.peaks (1.51, 7.67, 118.49 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.90: * HG2 LYS 20 + H GLU 21 OK 90 100 100 90 2.6-3.6 3063/120=39, 1.8/124=36...(6) HD3 LYS 17 - H GLU 21 far 0 90 0 - 6.5-8.6 HB3 LEU 14 - H GLU 21 far 0 96 0 - 9.2-11.0 Violated in 14 structures by 0.17 A. Peak 124 from nnoeabs.peaks (1.48, 7.67, 118.49 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 20 + H GLU 21 OK 100 100 100 100 2.7-4.4 1.8/123=99, 7402=88...(6) HG3 ARG 118 - H GLU 21 far 10 97 10 - 5.7-12.0 HG12 ILE 7 - H GLU 21 far 0 70 0 - 9.0-11.3 HG12 ILE 57 - H GLU 21 far 0 73 0 - 9.6-12.3 Violated in 1 structures by 0.00 A. Peak 146 from nnoeabs.peaks (8.02, 7.84, 119.08 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 26 + H TYR 27 OK 100 100 100 100 2.0-3.9 4.6=100 H VAL 22 - H TYR 27 poor 17 70 25 - 6.3-7.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 148 from nnoeabs.peaks (4.13, 7.84, 119.08 ppm; 5.76 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 26 + H TYR 27 OK 100 100 100 100 3.3-3.6 3.6=100 HA VAL 22 + H TYR 27 OK 91 98 100 92 4.6-6.9 10862/3.9=67...(4) Violated in 0 structures by 0.00 A. Peak 150 from nnoeabs.peaks (4.43, 8.34, 120.36 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.89: * HA TYR 27 + H GLN 28 OK 89 100 100 89 2.1-2.5 3.6=70, 3.0/152=34...(4) Violated in 0 structures by 0.00 A. Peak 151 from nnoeabs.peaks (2.66, 8.34, 120.36 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + H GLN 28 OK 100 100 100 100 3.1-4.3 4.2=96, 3.0/150=78, 1.8/152=77 Violated in 12 structures by 0.03 A. Peak 152 from nnoeabs.peaks (2.37, 8.34, 120.36 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 27 + H GLN 28 OK 100 100 100 100 2.2-4.3 4.2=96, 3.0/150=78...(6) HG2 GLN 25 - H GLN 28 far 0 92 0 - 8.9-10.3 Violated in 4 structures by 0.02 A. 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 100 100 100 100 1.9-4.3 4.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 158 from nnoeabs.peaks (4.50, 8.78, 123.48 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.94: * HA GLN 28 + H VAL 29 OK 94 100 100 94 2.1-2.5 7426=73, 3.0/159=29...(8) Violated in 0 structures by 0.00 A. Peak 159 from nnoeabs.peaks (2.06, 8.78, 123.48 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 28 + H VAL 29 OK 100 100 100 100 2.9-4.1 3.0/158=80, 4.6=66...(8) HG3 GLU 52 - H VAL 29 far 0 65 0 - 8.7-12.7 Violated in 2 structures by 0.01 A. Peak 160 from nnoeabs.peaks (1.78, 8.78, 123.48 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 28 + H VAL 29 OK 100 100 100 100 2.3-4.5 3.0/158=88, 4.6=87...(9) HB2 LYS 19 - H VAL 29 far 0 99 0 - 6.3-7.8 Violated in 6 structures by 0.01 A. Peak 161 from nnoeabs.peaks (2.24, 8.78, 123.48 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + H VAL 29 OK 100 100 100 100 3.5-4.6 3.8/158=77, 3.0/159=71...(7) Violated in 6 structures by 0.02 A. Peak 162 from nnoeabs.peaks (2.20, 8.78, 123.48 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + H VAL 29 OK 100 100 100 100 4.5-5.0 1.8/161=89, 3.8/158=87...(5) Violated in 12 structures by 0.05 A. Peak 165 from nnoeabs.peaks (8.78, 9.13, 127.79 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + H ARG 30 OK 100 100 100 100 3.9-4.6 4.6=100 H ILE 5 - H ARG 30 far 0 90 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 166 from nnoeabs.peaks (5.04, 9.13, 127.79 ppm; 2.90 A): 2 out of 2 assignments used, quality = 0.93: * HA VAL 29 + H ARG 30 OK 86 100 100 86 2.1-2.2 7431=61, 3.2/169=35...(9) HA ILE 56 + H ARG 30 OK 50 81 100 62 2.8-3.7 10680=23, 3.6/9250=20...(9) Violated in 0 structures by 0.00 A. Peak 167 from nnoeabs.peaks (1.95, 9.13, 127.79 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 29 + H ARG 30 OK 100 100 100 100 3.3-4.6 4.4=100 HB3 GLU 41 - H ARG 30 far 0 99 0 - 7.8-9.6 HB2 GLU 41 - H ARG 30 far 0 100 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 168 from nnoeabs.peaks (0.90, 9.13, 127.79 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 29 + H ARG 30 OK 100 100 100 100 3.6-4.4 2.1/169=84, 4.3=82...(4) HG13 ILE 54 - H ARG 30 far 0 77 0 - 7.5-9.0 Violated in 6 structures by 0.07 A. Peak 169 from nnoeabs.peaks (0.80, 9.13, 127.79 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.96: * QG1 VAL 29 + H ARG 30 OK 96 100 100 96 2.9-3.5 7434=77, 2.1/168=53...(4) QG2 ILE 71 - H ARG 30 far 0 70 0 - 9.6-12.0 QD1 LEU 64 - H ARG 30 far 0 81 0 - 9.7-13.0 QD2 LEU 64 - H ARG 30 far 0 70 0 - 10.0-12.7 Violated in 2 structures by 0.01 A. 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 100 100 100 100 4.2-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 171 from nnoeabs.peaks (4.74, 8.38, 121.89 ppm; 2.87 A): 1 out of 1 assignment used, quality = 0.85: * HA ARG 30 + H ASP 31 OK 85 100 100 85 2.1-2.2 3.6=52, 3.0/172=33...(8) Violated in 0 structures by 0.00 A. Peak 172 from nnoeabs.peaks (1.65, 8.38, 121.89 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ARG 30 + H ASP 31 OK 99 100 100 99 2.9-3.8 3.0/171=72, 4.6=53...(9) Violated in 2 structures by 0.00 A. Peak 173 from nnoeabs.peaks (1.51, 8.38, 121.89 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + H ASP 31 OK 99 100 100 99 4.0-4.4 1.8/172=78, 3.0/171=76...(8) HG2 ARG 30 + H ASP 31 OK 41 70 60 98 4.3-5.8 2.8/172=63, 3.9/171=60...(7) Violated in 19 structures by 0.11 A. Peak 174 from nnoeabs.peaks (1.50, 8.38, 121.89 ppm; 3.91 A): 2 out of 2 assignments used, quality = 0.87: HB3 ARG 30 + H ASP 31 OK 69 70 100 100 4.0-4.4 1.8/172=79, 3.0/171=77...(8) * HG2 ARG 30 + H ASP 31 OK 59 100 60 99 4.3-5.8 2.8/172=64, 3.9/171=61...(7) Violated in 17 structures by 0.08 A. Peak 175 from nnoeabs.peaks (1.45, 8.38, 121.89 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 30 + H ASP 31 OK 100 100 100 100 2.7-5.5 2.8/172=70, 3.9/171=67...(9) HG12 ILE 57 + H ASP 31 OK 47 96 55 89 4.0-6.9 ~9573=30, ~9270=29...(10) HB3 LEU 38 - H ASP 31 far 0 94 0 - 8.7-9.7 HG3 LYS 44 - H ASP 31 far 0 81 0 - 9.5-11.2 Violated in 9 structures by 0.07 A. Peak 176 from nnoeabs.peaks (3.33, 8.38, 121.89 ppm; 6.18 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + H ASP 31 OK 100 100 100 100 2.9-6.1 1.8/177=96, 3.6/172=96...(6) Violated in 0 structures by 0.00 A. Peak 177 from nnoeabs.peaks (2.93, 8.38, 121.89 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 30 + H ASP 31 OK 100 100 100 100 3.9-5.1 3.6/172=86, 5.3/171=71...(7) HE2 LYS 44 - H ASP 31 far 0 100 0 - 7.8-12.8 HE3 LYS 44 - H ASP 31 far 0 100 0 - 8.8-12.9 Violated in 0 structures by 0.00 A. Peak 179 from nnoeabs.peaks (5.21, 8.44, 120.43 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.88: * HA ASP 31 + H VAL 32 OK 88 100 100 88 2.1-2.3 7442=66, 9570/11348=22...(9) Violated in 0 structures by 0.00 A. Peak 180 from nnoeabs.peaks (2.47, 8.44, 120.43 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 31 + H VAL 32 OK 95 100 100 95 2.7-4.4 3.0/179=70, 4.5=56...(8) HB3 ASP 31 + H VAL 32 OK 94 100 100 94 3.8-4.3 3.0/179=70, 4.5=56...(8) HG3 GLU 41 - H VAL 32 far 0 96 0 - 5.6-8.6 Violated in 3 structures by 0.01 A. Peak 181 from nnoeabs.peaks (2.47, 8.44, 120.43 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASP 31 + H VAL 32 OK 95 100 100 95 2.7-4.4 3.0/179=70, 4.5=56...(8) * HB3 ASP 31 + H VAL 32 OK 94 100 100 94 3.8-4.3 3.0/179=70, 4.5=56...(8) HG3 GLU 41 - H VAL 32 far 0 94 0 - 5.6-8.6 Violated in 3 structures by 0.01 A. 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 100 100 100 100 4.1-4.3 4.7=100 Violated in 0 structures by 0.00 A. Peak 183 from nnoeabs.peaks (4.25, 9.55, 122.70 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.95: * HA VAL 32 + H ASN 33 OK 95 100 100 95 2.1-2.1 7445=65, 9322/187=33...(12) HA GLU 41 - H ASN 33 far 0 77 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 185 from nnoeabs.peaks (0.87, 9.55, 122.70 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 32 + H ASN 33 OK 100 100 100 100 2.7-2.9 7447=71, 3.2/183=68...(14) HG13 ILE 57 - H ASN 33 far 0 96 0 - 8.9-10.8 QG2 THR 9 - H ASN 33 far 0 99 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 186 from nnoeabs.peaks (0.76, 9.55, 122.70 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.99: * QG2 VAL 32 + H ASN 33 OK 99 100 100 99 3.8-4.0 2.1/185=71, 3.2/183=69...(12) QD1 ILE 15 - H ASN 33 far 0 100 0 - 7.4-8.9 Violated in 20 structures by 0.11 A. Peak 187 from nnoeabs.peaks (9.55, 7.62, 114.89 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.99: * H ASN 33 + H ASP 34 OK 99 100 100 99 2.0-2.2 1878=91, 183/9322=36...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 189 from nnoeabs.peaks (2.91, 7.62, 114.89 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 33 + H ASP 34 OK 97 100 100 97 3.9-4.5 1.8/190=70, 4.6=53...(7) HB2 ASP 34 + H ASP 34 OK 95 100 100 95 2.9-3.7 4.0=79, 195/4.5=39...(7) Violated in 0 structures by 0.00 A. Peak 190 from nnoeabs.peaks (2.69, 7.62, 114.89 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.92: * HB3 ASN 33 + H ASP 34 OK 92 100 100 92 3.3-4.0 1211/187=66, 4.6=59...(4) Violated in 2 structures by 0.01 A. Peak 193 from nnoeabs.peaks (7.62, 8.87, 114.38 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 34 + H SER 35 OK 100 100 100 100 4.3-4.4 4.5=100 H LEU 64 - H SER 35 far 0 92 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 194 from nnoeabs.peaks (4.70, 8.87, 114.38 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.97: * HA ASP 34 + H SER 35 OK 97 100 100 97 2.2-2.4 3.6=79, 3.0/196=50...(7) Violated in 0 structures by 0.00 A. Peak 195 from nnoeabs.peaks (2.91, 8.87, 114.38 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASP 34 + H SER 35 OK 98 100 100 98 2.8-4.0 1.8/196=79, 3.0/194=60...(7) HB2 ASN 33 - H SER 35 far 0 100 0 - 6.9-8.0 Violated in 16 structures by 0.09 A. Peak 196 from nnoeabs.peaks (3.09, 8.87, 114.38 ppm; 3.37 A): 1 out of 1 assignment used, quality = 0.95: * HB3 ASP 34 + H SER 35 OK 95 100 100 95 2.7-3.7 1.8/195=65, 7454=59...(5) Violated in 6 structures by 0.04 A. Peak 197 from nnoeabs.peaks (8.87, 8.39, 124.69 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + H ASP 36 OK 100 100 100 100 2.5-2.9 1880=100, 1220/199=56...(9) Violated in 0 structures by 0.00 A. Peak 198 from nnoeabs.peaks (4.05, 8.39, 124.69 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 35 + H ASP 36 OK 100 100 100 100 3.4-3.6 3.6=100 HA GLU 37 + H ASP 36 OK 80 84 100 95 5.1-5.4 2.9/1881=81, 3.6/2030=48...(5) Violated in 0 structures by 0.00 A. Peak 199 from nnoeabs.peaks (3.92, 8.39, 124.69 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.98: * HB2 SER 35 + H ASP 36 OK 98 100 100 98 2.5-4.1 1.8/200=73, 4.4=72...(7) HA LEU 38 - H ASP 36 far 0 96 0 - 6.8-7.2 Violated in 8 structures by 0.03 A. Peak 200 from nnoeabs.peaks (3.95, 8.39, 124.69 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.99: * HB3 SER 35 + H ASP 36 OK 99 100 100 99 2.7-4.2 1.8/199=78, 4.4=77...(5) Violated in 2 structures by 0.01 A. Peak 201 from nnoeabs.peaks (8.39, 9.01, 122.45 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + H GLU 37 OK 100 100 100 100 2.4-2.9 1881=100, 1224/203=41...(12) H ASP 31 - H GLU 37 far 0 90 0 - 9.4-10.1 H MET 67 - H GLU 37 far 0 98 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 203 from nnoeabs.peaks (2.84, 9.01, 122.45 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.98: * HB2 ASP 36 + H GLU 37 OK 98 100 100 98 2.6-3.7 7459=77, 1.8/204=71...(5) Violated in 1 structures by 0.01 A. Peak 204 from nnoeabs.peaks (2.66, 9.01, 122.45 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 36 + H GLU 37 OK 98 100 100 98 3.4-3.8 7460=81, 1.8/203=74...(4) HG2 MET 42 - H GLU 37 far 0 98 0 - 8.6-10.4 Violated in 9 structures by 0.03 A. Peak 205 from nnoeabs.peaks (9.01, 8.20, 119.58 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H LEU 38 OK 100 100 100 100 2.3-2.6 1882=100, 1229/208=47...(14) Violated in 0 structures by 0.00 A. Peak 206 from nnoeabs.peaks (4.06, 8.20, 119.58 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H LEU 38 OK 100 100 100 100 3.4-3.5 3.6=100 HA SER 35 + H LEU 38 OK 83 84 100 99 3.0-3.4 8028=51, 3.6/2030=39...(17) Violated in 0 structures by 0.00 A. Peak 207 from nnoeabs.peaks (2.27, 8.20, 119.58 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + H LEU 38 OK 100 100 100 100 3.0-4.0 1.8/208=92, 4.7=85...(10) Violated in 0 structures by 0.00 A. Peak 208 from nnoeabs.peaks (2.17, 8.20, 119.58 ppm; 3.70 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 37 + H LEU 38 OK 99 100 100 99 2.7-4.1 1229/1882=55, 1.8/207=55...(12) HG3 GLU 66 - H LEU 38 far 0 87 0 - 7.1-8.3 HB2 MET 42 - H LEU 38 far 0 73 0 - 9.0-10.0 HB2 GLN 62 - H LEU 38 far 0 96 0 - 9.6-11.6 HB3 GLN 62 - H LEU 38 far 0 96 0 - 10.0-12.0 Violated in 1 structures by 0.02 A. Peak 209 from nnoeabs.peaks (2.44, 8.20, 119.58 ppm; 5.69 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + H LEU 38 OK 100 100 100 100 3.0-5.3 3.0/208=97, 3505/3.6=95...(10) HG3 GLU 41 + H LEU 38 OK 67 70 100 96 3.9-6.4 9404/3.0=38...(12) Violated in 0 structures by 0.00 A. Peak 210 from nnoeabs.peaks (2.73, 8.20, 119.58 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + H LEU 38 OK 100 100 100 100 2.7-5.1 7465=97, 3.0/208=95...(11) HB2 ASP 60 - H LEU 38 far 0 97 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 211 from nnoeabs.peaks (8.20, 7.83, 118.40 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LYS 39 OK 100 100 100 100 2.4-2.6 1883=100, 3.8/213=49...(19) Violated in 0 structures by 0.00 A. Peak 212 from nnoeabs.peaks (3.91, 7.83, 118.40 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 38 + H LYS 39 OK 100 100 100 100 3.5-3.5 3.6=100 HB2 SER 35 + H LYS 39 OK 61 96 70 91 4.9-6.1 3.0/8033=45, 4.4/9348=25...(12) HA LEU 64 - H LYS 39 far 0 99 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 213 from nnoeabs.peaks (2.11, 7.83, 118.40 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 38 + H LYS 39 OK 99 100 100 99 3.0-3.4 3.1/217=46, 4.6=45...(16) HG2 GLU 41 - H LYS 39 far 3 61 5 - 4.8-6.9 HB3 GLU 92 - H ILE 97 far 0 86 0 - 7.2-9.5 HB2 GLU 91 - H ILE 97 far 0 77 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 214 from nnoeabs.peaks (1.46, 7.83, 118.40 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 38 + H LYS 39 OK 100 100 100 100 4.1-4.3 1.8/213=76, 4.6=49...(13) HG2 LYS 39 + H LYS 39 OK 99 99 100 100 2.0-4.4 1.8/3598=64, 3588=61...(22) HG2 LYS 106 - H ILE 97 far 0 92 0 - 7.9-12.7 HG3 ARG 30 - H LYS 39 far 0 94 0 - 9.7-13.5 HB3 LEU 6 - H ILE 97 far 0 91 0 - 9.7-10.7 Violated in 5 structures by 0.03 A. Peak 215 from nnoeabs.peaks (1.52, 7.83, 118.40 ppm; 4.40 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 38 + H LYS 39 OK 100 100 100 100 3.0-3.5 2.1/217=82, 3.0/213=78...(11) HD2 LYS 94 - H ILE 97 far 3 62 5 - 5.8-8.6 HG2 LYS 43 - H LYS 39 far 0 96 0 - 6.3-7.2 HD3 LYS 94 - H ILE 97 far 0 62 0 - 7.3-8.4 HB2 LYS 61 - H ILE 97 far 0 90 0 - 8.0-10.8 HG LEU 6 - H ILE 97 far 0 92 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 216 from nnoeabs.peaks (0.89, 7.83, 118.40 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 38 + H LYS 39 OK 100 100 100 100 1.9-2.5 7470=56, 2.1/217=56...(17) QG2 VAL 104 + H ILE 97 OK 66 89 100 75 3.0-4.8 11510/621=37...(7) QD1 LEU 70 - H LYS 39 lone 5 70 40 20 4.3-6.7 3556/217=9, 3542/215=8 QD2 LEU 70 - H LYS 39 far 0 81 0 - 5.6-7.3 QD1 LEU 90 - H ILE 97 far 0 68 0 - 6.4-10.4 QD2 LEU 90 - H ILE 97 far 0 86 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 217 from nnoeabs.peaks (0.96, 7.83, 118.40 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + H LYS 39 OK 100 100 100 100 4.3-4.5 3.1/213=65, 2.1/7470=64...(14) HG13 ILE 56 - H LYS 39 far 0 99 0 - 8.7-9.9 Violated in 20 structures by 0.46 A. Peak 218 from nnoeabs.peaks (7.83, 7.78, 119.27 ppm; 2.55 A): 1 out of 1 assignment used, quality = 0.84: * H LYS 39 + H LYS 40 OK 84 100 100 84 2.9-3.1 1884=47, 4.0/7473=13...(12) Violated in 20 structures by 0.45 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 220 from nnoeabs.peaks (1.93, 7.78, 119.27 ppm; 2.76 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 40 OK 93 100 100 93 2.2-4.0 7473=48, 1.8/7474=35...(16) HB3 LYS 40 + H LYS 40 OK 87 90 100 97 3.6-3.6 3668=52, 1.8/3658=49...(15) HB3 LYS 39 + H LYS 40 OK 74 81 100 91 2.0-3.4 1.8/7473=36, 7474=34...(15) HB3 GLU 41 - H LYS 40 far 4 77 5 - 4.2-6.1 HB2 GLU 41 - H LYS 40 far 4 73 5 - 4.2-5.8 HB3 MET 42 - H LYS 40 far 0 73 0 - 6.2-7.6 HB2 LEU 70 - H LYS 40 far 0 96 0 - 8.1-10.0 Violated in 6 structures by 0.04 A. Peak 221 from nnoeabs.peaks (1.95, 7.78, 119.27 ppm; 2.67 A): 3 out of 7 assignments used, quality = 1.00: HB3 LYS 40 + H LYS 40 OK 96 100 100 96 3.6-3.6 3668=55, 1.8/3658=45...(15) * HB3 LYS 39 + H LYS 40 OK 91 100 100 91 2.0-3.4 7474=42, 1.8/7473=34...(15) HB2 LYS 39 + H LYS 40 OK 71 81 100 88 2.2-4.0 1.8/7474=33, 7473=32...(15) HB2 GLU 41 - H LYS 40 far 0 100 0 - 4.2-5.8 HB3 GLU 41 - H LYS 40 far 0 100 0 - 4.2-6.1 HB3 MET 42 - H LYS 40 far 0 100 0 - 6.2-7.6 HB2 LEU 70 - H LYS 40 far 0 98 0 - 8.1-10.0 Violated in 6 structures by 0.07 A. Peak 222 from nnoeabs.peaks (1.46, 7.78, 119.27 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 40 OK 100 100 100 100 1.6-4.8 7475=74, 3588/218=71...(20) HG3 LYS 44 - H LYS 40 lone 8 61 70 18 4.5-6.9 6101=7, 1.8/6111=6, 6104/4.0=5 HB3 LEU 38 - H LYS 40 far 5 99 5 - 5.9-6.6 HG3 ARG 30 - H LYS 40 far 0 99 0 - 9.3-12.7 Violated in 14 structures by 0.17 A. Peak 223 from nnoeabs.peaks (1.70, 7.78, 119.27 ppm; 3.60 A): 5 out of 9 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 40 OK 99 100 100 99 1.7-4.9 3598/218=54, 1.8/222=47...(18) HD2 LYS 39 + H LYS 40 OK 75 97 80 97 3.7-5.6 3.0/222=39, 7478=37...(12) HD2 LYS 40 + H LYS 40 OK 69 70 100 99 1.9-4.6 2.9/1254=61, 3.6/1251=60...(20) HD3 LYS 40 + H LYS 40 OK 65 65 100 100 2.5-4.4 2.9/1254=61, 3.6/1251=60...(22) HD3 LYS 39 + H LYS 40 OK 61 98 65 96 3.5-5.9 3.0/222=39, 3.0/7476=36...(12) HD2 LYS 44 - H LYS 40 far 5 100 5 - 4.7-8.6 HD3 LYS 44 - H LYS 40 far 5 99 5 - 4.4-8.5 HD3 LYS 43 - H LYS 40 far 0 77 0 - 7.1-8.2 HG12 ILE 71 - H LYS 40 far 0 99 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 228 from nnoeabs.peaks (7.78, 8.72, 119.65 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + H GLU 41 OK 100 100 100 100 2.4-2.7 1885=92, 1251/230=60...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 230 from nnoeabs.peaks (1.99, 8.72, 119.65 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.96: * HB2 LYS 40 + H GLU 41 OK 96 100 100 96 2.6-3.0 1251/228=50, 3650/3.6=42...(10) Violated in 0 structures by 0.00 A. Peak 231 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 40 + H GLU 41 OK 94 100 100 94 3.9-4.1 1.8/230=62, 3668/228=37...(9) HB3 GLU 41 + H GLU 41 OK 81 99 100 81 2.1-3.6 4.0=38, 3.0/1264=36...(5) HB2 GLU 41 + H GLU 41 OK 80 99 100 81 2.2-3.4 4.0=38, 3.0/1264=36...(5) HB3 LYS 39 - H GLU 41 far 5 100 5 - 4.3-5.4 HB2 LYS 39 - H GLU 41 far 4 90 5 - 4.4-5.9 HB3 MET 42 - H GLU 41 far 0 99 0 - 5.1-6.4 HB2 LEU 70 - H GLU 41 far 0 100 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 232 from nnoeabs.peaks (1.38, 8.72, 119.65 ppm; 5.20 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + H GLU 41 OK 100 100 100 100 4.0-5.4 5.0=100 HG3 LYS 43 + H GLU 41 OK 83 94 100 88 5.7-6.5 4.9/2047=47, 7484=41...(4) Violated in 0 structures by 0.00 A. Peak 233 from nnoeabs.peaks (1.62, 8.72, 119.65 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 40 + H GLU 41 OK 100 100 100 100 4.0-4.8 2.7/230=95, 5.0=87...(9) HG LEU 63 - H GLU 41 far 0 100 0 - 9.8-10.9 Violated in 2 structures by 0.01 A. Peak 235 from nnoeabs.peaks (1.68, 8.72, 119.65 ppm; 4.73 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 40 + H GLU 41 OK 100 100 100 100 4.2-6.0 3.6/230=83, 3.6/7483=67...(10) HD2 LYS 40 + H GLU 41 OK 100 100 100 100 4.3-5.9 3.6/230=83, 3.6/7483=67...(9) HG3 LYS 39 + H GLU 41 OK 24 65 60 61 3.9-6.7 3.8/2043=38, 7476/228=34...(4) HD2 LYS 43 - H GLU 41 far 0 100 0 - 7.5-8.3 HG12 ILE 71 - H GLU 41 far 0 84 0 - 7.6-11.5 HD3 LYS 43 - H GLU 41 far 0 100 0 - 7.9-8.3 HB ILE 56 - H GLU 41 far 0 96 0 - 8.1-10.4 HB ILE 54 - H GLU 41 far 0 100 0 - 9.6-12.2 Violated in 2 structures by 0.02 A. Peak 238 from nnoeabs.peaks (8.72, 8.78, 118.11 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + H MET 42 OK 100 100 100 100 2.9-3.1 1886=100, 3.6/8062=33...(11) Violated in 0 structures by 0.00 A. Peak 239 from nnoeabs.peaks (4.26, 8.78, 118.11 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 41 + H MET 42 OK 100 100 100 100 3.5-3.6 3.6=100 HA VAL 32 - H MET 42 far 0 77 0 - 8.7-10.2 HA ALA 46 - H MET 42 far 0 90 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 240 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 8 assignments used, quality = 1.00: HB3 MET 42 + H MET 42 OK 99 100 100 99 2.4-3.5 3.9=58, 1.8/1267=55...(10) HB3 GLU 41 + H MET 42 OK 83 100 100 83 2.7-3.4 4.7=36, 4.0/1886=35...(11) * HB2 GLU 41 + H MET 42 OK 82 100 100 82 2.4-4.0 4.7=36, 4.0/1886=35...(11) HB2 LEU 70 - H MET 42 poor 19 96 20 - 4.6-6.0 HB3 LYS 40 - H MET 42 far 0 99 0 - 5.6-6.0 HB3 LYS 39 - H MET 42 far 0 100 0 - 5.8-6.2 HB2 LYS 39 - H MET 42 far 0 73 0 - 5.9-6.6 HB3 GLU 52 - H MET 42 far 0 100 0 - 9.0-17.2 Violated in 0 structures by 0.00 A. Peak 241 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 8 assignments used, quality = 1.00: HB3 MET 42 + H MET 42 OK 99 100 100 99 2.4-3.5 3.9=58, 1.8/1267=55...(10) * HB3 GLU 41 + H MET 42 OK 83 100 100 83 2.7-3.4 4.7=36, 4.0/1886=35...(11) HB2 GLU 41 + H MET 42 OK 82 100 100 82 2.4-4.0 4.7=36, 4.0/1886=35...(11) HB2 LEU 70 - H MET 42 poor 19 97 20 - 4.6-6.0 HB3 LYS 40 - H MET 42 far 0 99 0 - 5.6-6.0 HB3 LYS 39 - H MET 42 far 0 100 0 - 5.8-6.2 HB2 LYS 39 - H MET 42 far 0 77 0 - 5.9-6.6 HB3 GLU 52 - H MET 42 far 0 100 0 - 9.0-17.2 Violated in 0 structures by 0.00 A. Peak 242 from nnoeabs.peaks (2.13, 8.78, 118.11 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.99: * HG2 GLU 41 + H MET 42 OK 99 100 100 99 3.5-5.0 1263/1886=80, 7493=52...(9) HB2 LEU 38 + H MET 42 OK 40 61 80 82 6.1-6.7 2.9/8054=58, 3.1/9412=48...(4) Violated in 0 structures by 0.00 A. Peak 243 from nnoeabs.peaks (2.46, 8.78, 118.11 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 41 + H MET 42 OK 100 100 100 100 1.8-4.9 1264/1886=98...(7) HG2 GLU 37 - H MET 42 far 3 70 5 - 6.3-10.2 Violated in 0 structures by 0.00 A. Peak 244 from nnoeabs.peaks (8.78, 7.50, 120.74 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + H LYS 43 OK 100 100 100 100 2.2-2.5 1887=94, 3.9/247=43...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 246 from nnoeabs.peaks (2.19, 7.50, 120.74 ppm; 4.07 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 42 + H LYS 43 OK 100 100 100 100 3.7-4.2 1.8/247=98, 4.6=68...(6) HB2 MET 67 - H LYS 43 far 0 87 0 - 6.7-9.8 HG2 GLU 48 - H LYS 43 far 0 90 0 - 8.5-12.3 HG3 GLU 66 - H LYS 43 far 0 99 0 - 8.9-10.9 HB3 GLU 37 - H LYS 43 far 0 73 0 - 9.6-10.4 HB2 GLU 69 - H LYS 43 far 0 92 0 - 9.7-12.0 Violated in 9 structures by 0.02 A. Peak 247 from nnoeabs.peaks (1.95, 7.50, 120.74 ppm; 2.92 A): 1 out of 8 assignments used, quality = 0.77: * HB3 MET 42 + H LYS 43 OK 77 100 100 77 2.6-3.3 1.8/246=36, 3.9/244=28...(6) HB2 LEU 70 - H LYS 43 far 0 96 0 - 4.4-6.2 HB2 GLU 41 - H LYS 43 far 0 100 0 - 4.6-5.9 HB3 LYS 40 - H LYS 43 far 0 99 0 - 4.8-5.3 HB3 GLU 41 - H LYS 43 far 0 100 0 - 4.8-5.4 HB3 LYS 39 - H LYS 43 far 0 100 0 - 5.0-5.8 HB2 LYS 39 - H LYS 43 far 0 73 0 - 5.8-6.7 HB3 GLU 52 - H LYS 43 far 0 100 0 - 9.1-17.5 Violated in 6 structures by 0.04 A. Peak 248 from nnoeabs.peaks (2.66, 7.50, 120.74 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 42 + H LYS 43 OK 100 100 100 100 3.6-5.0 3.0/247=100, 1269/244=93...(6) HB2 TYR 76 - H LYS 43 far 0 96 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 249 from nnoeabs.peaks (2.76, 7.50, 120.74 ppm; 6.08 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 42 + H LYS 43 OK 100 100 100 100 2.3-5.2 3.0/247=100, 1270/244=97...(6) HE2 LYS 2 - H LYS 43 far 0 100 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 251 from nnoeabs.peaks (7.50, 7.45, 118.27 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + H LYS 44 OK 100 100 100 100 2.4-2.6 1888=100, 3.0/252=44...(12) Violated in 0 structures by 0.00 A. Peak 252 from nnoeabs.peaks (4.09, 7.45, 118.27 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.98: * HA LYS 43 + H LYS 44 OK 98 100 100 98 3.5-3.6 3.6=85, 3.0/1888=63...(9) Violated in 20 structures by 0.15 A. Peak 253 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 4 out of 6 assignments used, quality = 1.00: HB3 LYS 44 + H LYS 44 OK 94 100 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(23) HB2 LYS 44 + H LYS 44 OK 94 99 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(24) * HB2 LYS 43 + H LYS 44 OK 74 100 100 74 2.4-3.0 3.0/252=33, 4.0/1888=27...(10) HB3 LYS 43 + H LYS 44 OK 72 98 100 73 3.2-3.9 3.0/252=33, 4.0/1888=27...(8) HB2 LEU 45 - H LYS 44 far 0 100 0 - 5.4-5.6 HB2 LYS 49 - H LYS 44 far 0 96 0 - 7.2-13.6 Violated in 0 structures by 0.00 A. Peak 254 from nnoeabs.peaks (1.90, 7.45, 118.27 ppm; 2.72 A): 4 out of 7 assignments used, quality = 1.00: HB3 LYS 44 + H LYS 44 OK 93 99 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(23) HB2 LYS 44 + H LYS 44 OK 87 92 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(24) HB2 LYS 43 + H LYS 44 OK 73 98 100 74 2.4-3.0 3.0/252=33, 4.0/1888=27...(10) * HB3 LYS 43 + H LYS 44 OK 73 100 100 73 3.2-3.9 3.0/252=33, 4.0/1888=27...(8) HG LEU 45 - H LYS 44 poor 15 61 25 - 4.1-4.6 HB2 LEU 45 - H LYS 44 far 0 100 0 - 5.4-5.6 HB2 LYS 49 - H LYS 44 far 0 100 0 - 7.2-13.6 Violated in 0 structures by 0.00 A. Peak 256 from nnoeabs.peaks (1.37, 7.45, 118.27 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.99: * HG3 LYS 43 + H LYS 44 OK 95 100 100 95 4.6-5.0 1277/1888=67, 3.9/252=65...(9) HG2 LYS 40 + H LYS 44 OK 71 94 95 80 5.0-6.1 ~8045=42, ~8046=41...(6) Violated in 18 structures by 0.11 A. Peak 261 from nnoeabs.peaks (7.45, 8.16, 117.78 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + H LEU 45 OK 100 100 100 100 2.9-3.2 1889=100, 1286/265=32...(13) Violated in 0 structures by 0.00 A. Peak 262 from nnoeabs.peaks (4.06, 8.16, 117.78 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 44 + H LEU 45 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 37 - H LEU 45 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 263 from nnoeabs.peaks (1.91, 8.16, 117.78 ppm; 2.72 A): 3 out of 8 assignments used, quality = 1.00: HB2 LEU 45 + H LEU 45 OK 92 97 100 95 2.8-3.0 1.8/1295=40, 3997=32...(13) * HB2 LYS 44 + H LEU 45 OK 85 100 100 85 2.3-4.0 4.0/1889=23, 2.9/266=22...(18) HB3 LYS 44 + H LEU 45 OK 81 99 100 82 2.3-4.0 4.0/1889=23, 2.9/266=22...(13) HB2 LYS 43 - H LEU 45 far 0 99 0 - 4.9-5.8 HB3 LYS 43 - H LEU 45 far 0 92 0 - 5.2-6.0 HB2 LYS 49 - H LEU 45 far 0 87 0 - 6.3-11.2 HB ILE 71 - H LEU 45 far 0 77 0 - 9.6-11.9 HB2 LYS 73 - H LEU 45 far 0 73 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 264 from nnoeabs.peaks (1.91, 8.16, 117.78 ppm; 2.72 A): 3 out of 8 assignments used, quality = 1.00: HB2 LEU 45 + H LEU 45 OK 95 100 100 95 2.8-3.0 1.8/1295=40, 3997=33...(13) HB2 LYS 44 + H LEU 45 OK 85 99 100 85 2.3-4.0 4.0/1889=23, 2.9/266=22...(18) * HB3 LYS 44 + H LEU 45 OK 83 100 100 83 2.3-4.0 4.0/1889=23, 2.9/266=22...(13) HB2 LYS 43 - H LEU 45 far 0 100 0 - 4.9-5.8 HB3 LYS 43 - H LEU 45 far 0 99 0 - 5.2-6.0 HB2 LYS 49 - H LEU 45 far 0 97 0 - 6.3-11.2 HB ILE 71 - H LEU 45 far 0 92 0 - 9.6-11.9 HB2 LYS 73 - H LEU 45 far 0 90 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 265 from nnoeabs.peaks (1.58, 8.16, 117.78 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 44 + H LEU 45 OK 100 100 100 100 1.6-4.7 1.8/266=81, 1286/1889=77...(14) HB3 LEU 70 - H LEU 45 far 0 87 0 - 7.5-9.8 HG2 LYS 73 - H LEU 45 far 0 77 0 - 9.9-12.0 Violated in 15 structures by 0.11 A. Peak 266 from nnoeabs.peaks (1.44, 8.16, 117.78 ppm; 4.32 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 44 + H LEU 45 OK 100 100 100 100 3.4-4.6 1.8/265=74, 3905/3.6=65...(12) HG12 ILE 56 - H LEU 45 far 0 90 0 - 7.6-9.6 HG LEU 4 - H LEU 45 far 0 84 0 - 7.7-9.9 HB3 LEU 4 - H LEU 45 far 0 100 0 - 8.1-10.0 HG2 LYS 39 - H LEU 45 far 0 61 0 - 8.5-12.0 HG3 ARG 30 - H LEU 45 far 0 81 0 - 8.8-11.4 HB2 LEU 4 - H LEU 45 far 0 100 0 - 8.9-10.5 Violated in 15 structures by 0.19 A. Peak 267 from nnoeabs.peaks (1.70, 8.16, 117.78 ppm; 5.23 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 44 + H LEU 45 OK 100 100 100 100 3.1-6.0 2.9/266=84, 2.9/265=82...(9) HD3 LYS 44 + H LEU 45 OK 100 100 100 100 3.2-6.3 2.9/266=84, 2.9/265=82...(9) HG LEU 74 - H LEU 45 far 15 100 15 - 6.4-9.3 HD3 LYS 43 - H LEU 45 far 10 70 15 - 6.6-8.7 HD2 LYS 40 - H LEU 45 far 3 61 5 - 6.5-9.4 HB ILE 54 - H LEU 45 far 0 61 0 - 6.8-9.3 HG12 ILE 71 - H LEU 45 far 0 97 0 - 7.5-11.2 HD2 LYS 39 - H LEU 45 far 0 99 0 - 8.3-13.0 HG3 LYS 39 - H LEU 45 far 0 100 0 - 9.2-11.7 HB ILE 56 - H LEU 45 far 0 87 0 - 9.2-11.1 HD3 LYS 39 - H LEU 45 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 268 from nnoeabs.peaks (1.70, 8.16, 117.78 ppm; 5.23 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + H LEU 45 OK 100 100 100 100 3.2-6.3 2.9/266=84, 2.9/265=82...(9) HD2 LYS 44 + H LEU 45 OK 100 100 100 100 3.1-6.0 2.9/266=84, 2.9/265=82...(9) HG LEU 74 - H LEU 45 far 15 100 15 - 6.4-9.3 HD3 LYS 43 - H LEU 45 far 9 61 15 - 6.6-8.7 HG12 ILE 71 - H LEU 45 far 0 94 0 - 7.5-11.2 HD2 LYS 39 - H LEU 45 far 0 100 0 - 8.3-13.0 HG3 LYS 39 - H LEU 45 far 0 99 0 - 9.2-11.7 HB ILE 56 - H LEU 45 far 0 81 0 - 9.2-11.1 HD3 LYS 39 - H LEU 45 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 271 from nnoeabs.peaks (8.16, 7.64, 118.54 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + H ALA 46 OK 100 100 100 100 2.9-3.1 1890=100, 1296/275=56...(13) Violated in 0 structures by 0.00 A. Peak 272 from nnoeabs.peaks (4.15, 7.64, 118.54 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 45 + H ALA 46 OK 100 100 100 100 3.6-3.6 3.6=100 HA LEU 70 + H GLU 69 OK 40 53 100 74 5.2-5.5 3.0/428=64, 3.6/2109=19 HA LEU 63 - H GLU 69 far 0 51 0 - 7.5-8.3 HA LEU 70 - H ALA 46 far 0 84 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 273 from nnoeabs.peaks (1.90, 7.64, 118.54 ppm; 3.26 A): 1 out of 13 assignments used, quality = 0.97: * HB2 LEU 45 + H ALA 46 OK 97 100 100 97 2.1-2.3 1.8/274=60, 4.3=44...(10) HB ILE 71 - H GLU 69 far 0 65 0 - 4.9-7.0 HB3 LYS 43 - H ALA 46 far 0 100 0 - 5.0-5.3 HB3 LYS 44 - H ALA 46 far 0 100 0 - 5.0-6.1 HB2 LYS 44 - H ALA 46 far 0 97 0 - 5.1-6.1 HB2 LYS 43 - H ALA 46 far 0 100 0 - 5.7-5.8 HB3 LYS 73 - H GLU 69 far 0 61 0 - 6.5-9.9 HB2 LYS 49 - H ALA 46 far 0 99 0 - 7.2-10.4 HB2 LYS 73 - H GLU 69 far 0 63 0 - 8.1-9.5 HB2 LYS 73 - H ALA 46 far 0 94 0 - 8.2-12.4 HB2 LYS 96 - H GLU 69 far 0 71 0 - 8.5-10.4 HB3 LYS 73 - H ALA 46 far 0 92 0 - 9.2-11.7 HB ILE 71 - H ALA 46 far 0 96 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 274 from nnoeabs.peaks (1.49, 7.64, 118.54 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 45 + H ALA 46 OK 100 100 100 100 3.5-3.7 1.8/273=82, 3.0/275=60...(8) HG3 LYS 73 - H GLU 69 far 0 65 0 - 7.3-11.2 HG3 LYS 73 - H ALA 46 far 0 96 0 - 8.2-11.6 Violated in 15 structures by 0.03 A. Peak 275 from nnoeabs.peaks (1.88, 7.64, 118.54 ppm; 3.35 A): 1 out of 15 assignments used, quality = 0.99: * HG LEU 45 + H ALA 46 OK 99 100 100 99 3.6-4.1 1296/1890=54, 3.0/274=48...(10) HB ILE 71 - H GLU 69 far 0 51 0 - 4.9-7.0 HB3 LYS 43 - H ALA 46 far 0 61 0 - 5.0-5.3 QE MET 42 - H GLU 69 far 0 45 0 - 5.4-7.7 QE MET 42 - H ALA 46 far 0 73 0 - 5.7-7.9 QE MET 67 - H GLU 69 far 0 71 0 - 6.2-6.9 HB3 LYS 73 - H GLU 69 far 0 56 0 - 6.5-9.9 HB2 LYS 49 - H ALA 46 far 0 70 0 - 7.2-10.4 HB2 LYS 73 - H GLU 69 far 0 53 0 - 8.1-9.5 HB2 LYS 73 - H ALA 46 far 0 84 0 - 8.2-12.4 HB2 LYS 96 - H GLU 69 far 0 37 0 - 8.5-10.4 HB3 LYS 73 - H ALA 46 far 0 87 0 - 9.2-11.7 HB ILE 71 - H ALA 46 far 0 81 0 - 9.3-11.6 HB2 LEU 63 - H GLU 69 far 0 58 0 - 9.6-10.1 QE MET 67 - H ALA 46 far 0 100 0 - 9.9-11.2 Violated in 20 structures by 0.33 A. Peak 276 from nnoeabs.peaks (0.75, 7.64, 118.54 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 45 + H ALA 46 OK 100 100 100 100 2.9-4.4 2.1/275=89, 4020/273=79...(9) QD2 LEU 6 - H GLU 69 poor 11 37 30 - 5.2-6.5 QG2 ILE 54 - H ALA 46 far 0 96 0 - 7.8-9.8 QD1 LEU 45 - H GLU 69 far 0 72 0 - 8.9-10.6 QD1 LEU 63 - H GLU 69 far 0 53 0 - 9.6-10.2 QG2 VAL 32 - H GLU 69 far 0 63 0 - 9.6-10.9 Violated in 17 structures by 0.06 A. Peak 277 from nnoeabs.peaks (0.72, 7.64, 118.54 ppm; 4.30 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 45 + H ALA 46 OK 100 100 100 100 4.1-4.6 2.1/275=91, 3.1/273=78...(9) QD2 LEU 6 - H GLU 69 poor 12 61 35 56 5.2-6.5 11343/4.9=42...(5) QG2 VAL 78 - H GLU 69 far 0 72 0 - 6.7-7.9 QD1 LEU 6 - H GLU 69 far 0 61 0 - 6.7-7.9 QD2 LEU 63 - H GLU 69 far 0 45 0 - 7.7-8.6 QG2 VAL 78 - H ALA 46 far 0 100 0 - 8.6-9.9 QD1 LEU 63 - H GLU 69 far 0 45 0 - 9.6-10.2 Violated in 8 structures by 0.05 A. Peak 278 from nnoeabs.peaks (7.64, 7.71, 115.49 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.94: * H ALA 46 + H GLU 47 OK 94 100 100 94 2.6-2.9 1891=59, 1301/280=54...(8) HD21 ASN 50 - H GLU 47 far 0 99 0 - 6.2-12.2 Violated in 0 structures by 0.00 A. Peak 279 from nnoeabs.peaks (4.25, 7.71, 115.49 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 47 + H GLU 47 OK 100 100 100 100 2.8-2.9 3.0=100 * HA ALA 46 + H GLU 47 OK 97 100 100 97 3.4-3.5 3.6=76, 2.1/280=63...(7) HA GLU 41 - H GLU 47 far 0 90 0 - 8.3-8.7 HA GLU 52 - H GLU 47 far 0 98 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. Peak 280 from nnoeabs.peaks (1.55, 7.71, 115.49 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.99: * QB ALA 46 + H GLU 47 OK 99 100 100 99 2.7-3.1 7526=84, 1301/278=57...(7) Violated in 0 structures by 0.00 A. Peak 281 from nnoeabs.peaks (7.71, 7.75, 120.57 ppm; 2.50 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 47 + H GLU 48 OK 92 100 100 92 2.1-2.5 1892=88, 1305/284=19...(5) Violated in 1 structures by 0.00 A. Peak 282 from nnoeabs.peaks (4.25, 7.75, 120.57 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 47 + H GLU 48 OK 100 100 100 100 3.4-3.5 3.6=100 HA ALA 46 + H GLU 48 OK 73 100 100 73 3.7-4.8 3.6/281=72, 2066/11318=2 HA GLU 52 - H GLU 48 far 0 96 0 - 7.2-13.4 HA GLU 41 - H GLU 48 far 0 84 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 283 from nnoeabs.peaks (2.06, 7.75, 120.57 ppm; 3.68 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 47 + H GLU 48 OK 96 100 100 96 3.3-4.2 1.8/284=68, 7528=64...(5) HB2 GLU 48 + H GLU 48 OK 67 73 100 91 2.2-3.8 4.1=74, 3.0/4086=38...(4) HB3 GLU 48 + H GLU 48 OK 66 73 100 90 2.7-4.1 4.1=74, 3.0/4086=38, 3.0/1313=36 HG3 GLU 52 - H GLU 48 far 0 87 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 284 from nnoeabs.peaks (2.11, 7.75, 120.57 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 47 + H GLU 48 OK 99 100 100 99 2.6-3.1 7529=83, 1305/281=72...(6) HG2 GLU 52 - H GLU 48 far 0 92 0 - 8.2-14.5 Violated in 0 structures by 0.00 A. Peak 288 from nnoeabs.peaks (4.37, 8.61, 124.42 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 48 + H LYS 49 OK 100 100 100 100 2.1-2.7 3.6=100 HA MET 42 - H LYS 49 far 0 92 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 295 from nnoeabs.peaks (1.90, 8.72, 117.99 ppm; 4.86 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 49 + H ASN 50 OK 100 100 100 100 2.9-4.4 4.4=100 HB2 LEU 45 - H ASN 50 lone 0 99 25 2 5.5-8.8 1.8/11667=1 HB2 LYS 44 - H ASN 50 far 0 87 0 - 6.7-11.1 HG LEU 45 - H ASN 50 far 0 70 0 - 6.9-9.7 HB3 LYS 44 - H ASN 50 far 0 97 0 - 7.8-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 304 from nnoeabs.peaks (4.62, 8.34, 120.70 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.91: * HA ASN 50 + H PHE 51 OK 91 100 100 91 2.1-3.1 3.6=85, 3.0/305=23, 3.0/306=23 Violated in 0 structures by 0.00 A. Peak 305 from nnoeabs.peaks (2.71, 8.34, 120.70 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.97: * HB2 ASN 50 + H PHE 51 OK 84 100 100 84 2.7-4.5 3.0/304=64, 4.6=55 HB3 ASN 50 + H PHE 51 OK 84 100 100 84 2.1-4.5 3.0/304=64, 4.6=55 HE3 LYS 53 - H PHE 51 far 0 90 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 306 from nnoeabs.peaks (2.71, 8.34, 120.70 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.97: * HB3 ASN 50 + H PHE 51 OK 84 100 100 84 2.1-4.5 3.0/304=64, 4.6=55 HB2 ASN 50 + H PHE 51 OK 84 100 100 84 2.7-4.5 3.0/304=64, 4.6=55 HE3 LYS 53 - H PHE 51 far 0 92 0 - 7.9-11.9 Violated in 0 structures by 0.00 A. Peak 309 from nnoeabs.peaks (4.26, 7.96, 119.96 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.95: * HA GLU 52 + H LYS 53 OK 95 100 100 95 2.2-3.6 3.6=79, 3.0/311=40...(5) HA ALA 46 - H LYS 53 far 0 98 0 - 9.4-15.5 HA GLU 41 - H LYS 53 far 0 99 0 - 9.7-14.5 Violated in 1 structures by 0.01 A. Peak 310 from nnoeabs.peaks (1.66, 7.96, 119.96 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 52 + H LYS 53 OK 100 100 100 100 2.0-4.1 4.7=95, 1.8/311=91...(6) HB ILE 5 - H LYS 53 far 0 92 0 - 8.3-10.9 Violated in 0 structures by 0.00 A. Peak 311 from nnoeabs.peaks (1.95, 7.96, 119.96 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.98: * HB3 GLU 52 + H LYS 53 OK 98 100 100 98 2.0-3.8 3.0/309=71, 4.7=64...(5) HB3 GLU 128 - H LYS 53 far 0 100 0 - 5.8-10.2 HB2 LEU 127 - H LYS 53 far 0 61 0 - 9.5-12.7 HB3 GLU 41 - H LYS 53 far 0 100 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 313 from nnoeabs.peaks (2.04, 7.96, 119.96 ppm; 4.80 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 52 + H LYS 53 OK 100 100 100 100 1.9-4.8 4.9=94, 3.0/311=79...(5) HB2 GLN 28 - H LYS 53 far 7 65 10 - 5.8-8.5 HB2 MET 1 - H LYS 53 far 4 81 5 - 5.9-10.1 HB3 GLU 48 - H LYS 53 far 0 99 0 - 7.8-15.9 HB2 GLU 48 - H LYS 53 far 0 99 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 314 from nnoeabs.peaks (7.96, 8.80, 124.73 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + H ILE 54 OK 100 100 100 100 2.6-4.6 4.6=100 H GLY 125 - H ILE 54 far 0 84 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 315 from nnoeabs.peaks (4.69, 8.80, 124.73 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.92: * HA LYS 53 + H ILE 54 OK 92 100 100 92 2.1-2.8 3.6=81, 4.1/319=30...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.4 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-4.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 318 from nnoeabs.peaks (1.09, 8.80, 124.73 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + H ILE 54 OK 100 100 100 100 4.4-5.9 1.8/319=90, 5.0=86...(10) QG2 ILE 3 + H ILE 54 OK 85 92 95 97 4.2-6.6 2.1/10802=54...(13) HG2 LYS 2 - H ILE 54 poor 18 61 30 - 4.4-8.8 Violated in 2 structures by 0.02 A. Peak 319 from nnoeabs.peaks (0.94, 8.80, 124.73 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.97: * HG3 LYS 53 + H ILE 54 OK 97 100 100 97 3.7-4.8 5.0=60, 4.1/315=58...(9) Violated in 17 structures by 0.09 A. Peak 321 from nnoeabs.peaks (1.27, 8.80, 124.73 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.74: HG12 ILE 54 + H ILE 54 OK 61 61 100 100 3.0-4.4 4.6=86, 1.8/1353=84...(11) * HD3 LYS 53 + H ILE 54 OK 32 100 35 90 5.3-6.7 3.0/319=66, 5.2/315=46...(4) HD2 LYS 2 - H ILE 54 poor 15 97 40 38 4.0-8.2 9469/1354=18, 9469/4.8=5...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 325 from nnoeabs.peaks (4.85, 9.10, 130.09 ppm; 3.17 A): 1 out of 2 assignments used, quality = 0.92: * HA ILE 54 + H LEU 55 OK 92 100 100 92 2.1-2.3 3.6=70, 3.2/7565=39...(9) HA ILE 5 - H LEU 55 far 0 84 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 326 from nnoeabs.peaks (1.68, 9.10, 130.09 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 54 + H LEU 55 OK 100 100 100 100 3.8-4.5 4.4=100 HB ILE 56 - H LEU 55 far 5 97 5 - 5.6-6.7 HD2 LYS 44 - H LEU 55 far 0 61 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. Peak 327 from nnoeabs.peaks (0.75, 9.10, 130.09 ppm; 3.34 A): 2 out of 6 assignments used, quality = 0.99: * QG2 ILE 54 + H LEU 55 OK 97 100 100 97 2.0-2.9 7565=74, 3.2/325=51...(13) QD2 LEU 55 + H LEU 55 OK 82 92 100 89 4.1-4.6 3.1/1357=44, 4.7=37...(10) QD1 LEU 45 - H LEU 55 far 0 96 0 - 6.5-8.6 QD2 LEU 6 - H LEU 55 far 0 90 0 - 7.2-8.4 QG2 VAL 32 - H LEU 55 far 0 70 0 - 8.1-8.9 QG2 ILE 7 - H LEU 55 far 0 100 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 330 from nnoeabs.peaks (0.64, 9.10, 130.09 ppm; 4.17 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + H LEU 55 OK 100 100 100 100 3.0-4.7 4407/7565=73, 4.2/325=59...(12) QD1 LEU 4 + H LEU 55 OK 48 97 60 83 5.1-6.7 10735/4.4=42...(8) QD1 ILE 5 - H LEU 55 far 4 90 5 - 5.6-7.6 QG1 VAL 22 - H LEU 55 far 0 100 0 - 5.8-7.2 QD1 ILE 71 - H LEU 55 far 0 61 0 - 7.8-9.2 Violated in 10 structures by 0.10 A. 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 100 100 100 100 4.3-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 332 from nnoeabs.peaks (5.64, 9.18, 125.98 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.95: * HA LEU 55 + H ILE 56 OK 95 100 100 95 2.1-2.2 7569=70, 3.0/1898=30...(14) Violated in 0 structures by 0.00 A. Peak 333 from nnoeabs.peaks (1.76, 9.18, 125.98 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 55 + H ILE 56 OK 100 100 100 100 3.8-4.4 4.6=100 HB VAL 32 - H ILE 56 far 0 77 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 335 from nnoeabs.peaks (1.57, 9.18, 125.98 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.97: * HG LEU 55 + H ILE 56 OK 97 100 100 97 2.8-4.3 2.1/7574=58, 4.3/332=54...(11) HB VAL 78 - H ILE 56 far 0 94 0 - 8.0-9.1 Violated in 1 structures by 0.01 A. Peak 336 from nnoeabs.peaks (0.68, 9.18, 125.98 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.99: * QD1 LEU 55 + H ILE 56 OK 94 100 100 94 2.1-4.6 2.1/335=49, 4.0/332=40...(13) QG2 ILE 56 + H ILE 56 OK 88 92 100 96 2.1-3.8 2.1/1364=62, 4.0=59...(8) QD2 LEU 4 - H ILE 56 poor 15 98 25 62 4.0-5.8 3.1/1366=16, 7573=12...(10) Violated in 6 structures by 0.02 A. Peak 337 from nnoeabs.peaks (0.74, 9.18, 125.98 ppm; 3.25 A): 3 out of 11 assignments used, quality = 1.00: * QD2 LEU 55 + H ILE 56 OK 93 100 100 93 1.9-4.7 2.1/335=46, 4.0/332=37...(13) QG2 ILE 54 + H ILE 56 OK 81 92 100 88 3.7-4.4 7565/1898=25...(14) QD2 LEU 6 + H ILE 56 OK 73 100 95 77 3.7-5.0 11559=36, 3.9/9535=31...(9) QG2 VAL 78 - H ILE 56 far 0 90 0 - 5.3-6.7 QG1 VAL 117 - H ILE 56 far 0 77 0 - 5.9-7.2 QG2 ILE 18 - H ILE 56 far 0 65 0 - 6.1-7.2 QG2 ILE 7 - H ILE 56 far 0 96 0 - 6.6-7.4 QD1 LEU 45 - H ILE 56 far 0 65 0 - 6.7-8.5 QD2 LEU 45 - H ILE 56 far 0 90 0 - 7.0-8.5 HG13 ILE 18 - H ILE 56 far 0 97 0 - 9.0-11.1 QD1 LEU 63 - H ILE 56 far 0 99 0 - 9.4-10.5 Violated in 17 structures by 0.11 A. Peak 339 from nnoeabs.peaks (5.06, 8.54, 127.24 ppm; 2.95 A): 1 out of 2 assignments used, quality = 0.95: * HA ILE 56 + H ILE 57 OK 95 100 100 95 2.2-2.3 7575=68, 4459/344=33...(12) HA VAL 29 - H ILE 57 far 0 81 0 - 5.3-6.8 Violated in 0 structures by 0.00 A. Peak 340 from nnoeabs.peaks (1.69, 8.54, 127.24 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 56 + H ILE 57 OK 100 100 100 100 3.8-4.1 4.4=100 HB ILE 54 - H ILE 57 far 0 97 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 341 from nnoeabs.peaks (0.69, 8.54, 127.24 ppm; 3.01 A): 2 out of 6 assignments used, quality = 0.99: * QG2 ILE 56 + H ILE 57 OK 97 100 100 97 1.9-4.0 4473/344=53, 7577=51...(14) QD1 ILE 57 + H ILE 57 OK 79 84 100 94 2.7-4.3 2.1/1373=46, 3.2/1371=39...(12) QD1 LEU 55 - H ILE 57 poor 7 92 25 32 3.9-7.0 1365/4.6=12, 4456/339=7...(7) QD2 LEU 4 - H ILE 57 far 0 73 0 - 6.9-8.7 QD2 LEU 63 - H ILE 57 far 0 77 0 - 6.9-8.9 QD2 LEU 81 - H ILE 57 far 0 87 0 - 8.3-9.5 Violated in 1 structures by 0.00 A. Peak 343 from nnoeabs.peaks (0.96, 8.54, 127.24 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 57 OK 100 100 100 100 2.1-4.9 2.1/344=98, 3.2/7577=76...(6) QD1 LEU 38 - H ILE 57 far 0 99 0 - 6.8-8.1 Violated in 19 structures by 0.16 A. Peak 344 from nnoeabs.peaks (0.66, 8.54, 127.24 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.95: * QD1 ILE 56 + H ILE 57 OK 95 100 100 95 2.7-3.3 4473/7577=47...(9) QD1 ILE 71 - H ILE 57 far 0 97 0 - 6.8-8.7 QD1 LEU 4 - H ILE 57 far 0 61 0 - 6.9-9.3 QD2 LEU 4 - H ILE 57 far 0 70 0 - 6.9-8.7 Violated in 17 structures by 0.06 A. Peak 345 from nnoeabs.peaks (8.54, 8.81, 119.27 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + H SER 58 OK 100 100 100 100 4.3-4.4 4.7=100 H LYS 19 - H SER 58 far 0 94 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 346 from nnoeabs.peaks (4.91, 8.81, 119.27 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.92: * HA ILE 57 + H SER 58 OK 92 100 100 92 2.2-2.3 3.6=64, 3.2/348=42...(10) HA LEU 82 - H SER 58 far 0 100 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 347 from nnoeabs.peaks (1.82, 8.81, 119.27 ppm; 5.37 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 57 + H SER 58 OK 100 100 100 100 2.9-4.1 4.4=100 HB2 LEU 14 - H SER 58 far 0 100 0 - 7.6-9.3 HB ILE 18 - H SER 58 far 0 100 0 - 7.6-8.6 HB3 LYS 19 - H SER 58 far 0 90 0 - 9.7-11.5 QE MET 121 - H SER 58 far 0 97 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 348 from nnoeabs.peaks (0.84, 8.81, 119.27 ppm; 3.24 A): 1 out of 7 assignments used, quality = 0.97: * QG2 ILE 57 + H SER 58 OK 97 100 100 97 1.9-3.3 7583=54, 3.2/346=50...(12) QG2 ILE 15 - H SER 58 poor 19 97 20 - 4.2-6.0 HG13 ILE 57 - H SER 58 poor 12 61 20 - 4.2-5.5 QD2 LEU 82 - H SER 58 far 0 77 0 - 6.7-10.1 QG2 ILE 5 - H SER 58 far 0 100 0 - 7.3-8.8 QD1 LEU 14 - H SER 58 far 0 61 0 - 8.3-9.8 QG2 VAL 22 - H SER 58 far 0 81 0 - 8.3-10.8 Violated in 3 structures by 0.01 A. Peak 349 from nnoeabs.peaks (1.46, 8.81, 119.27 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 57 + H SER 58 OK 100 100 100 100 4.5-5.1 7584=94, 3.2/348=87...(12) HG12 ILE 7 - H SER 58 far 0 100 0 - 6.5-7.7 HB3 LEU 6 - H SER 58 far 0 100 0 - 6.8-8.0 HG LEU 80 - H SER 58 far 0 61 0 - 7.8-11.2 HB3 LEU 38 - H SER 58 far 0 100 0 - 7.9-9.3 HG3 ARG 30 - H SER 58 far 0 96 0 - 9.1-11.0 Violated in 12 structures by 0.13 A. Peak 351 from nnoeabs.peaks (0.71, 8.81, 119.27 ppm; 3.86 A): 3 out of 8 assignments used, quality = 1.00: * QD1 ILE 57 + H SER 58 OK 99 100 100 99 4.4-5.0 3.0/348=68, 7586=58...(9) QG2 ILE 56 + H SER 58 OK 62 84 95 78 3.9-5.6 7577/4.7=30...(8) QD1 LEU 6 + H SER 58 OK 43 96 100 45 3.2-4.4 11562/4.0=23...(5) QG2 ILE 18 - H SER 58 far 0 90 0 - 6.3-8.0 QD2 LEU 81 - H SER 58 far 0 100 0 - 6.6-7.5 QD2 LEU 63 - H SER 58 far 0 100 0 - 6.9-7.9 QG1 VAL 117 - H SER 58 far 0 81 0 - 7.7-8.9 QG2 VAL 78 - H SER 58 far 0 65 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 353 from nnoeabs.peaks (5.01, 8.79, 122.38 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.87: * HA SER 58 + H ASN 59 OK 87 100 100 87 2.2-2.5 3.6=63, 3.0/354=30...(7) Violated in 0 structures by 0.00 A. Peak 354 from nnoeabs.peaks (3.78, 8.79, 122.38 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 58 + H ASN 59 OK 100 100 100 100 3.5-4.3 4.5=85, 3.0/353=83...(6) Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.4-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 356 from nnoeabs.peaks (8.79, 7.86, 119.74 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + H ASP 60 OK 100 100 100 100 2.0-2.4 1902=99, 9624/9630=31...(8) H SER 58 - H ASP 60 far 0 73 0 - 5.0-5.5 Violated in 0 structures by 0.00 A. Peak 357 from nnoeabs.peaks (4.71, 7.86, 119.74 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 59 + H ASP 60 OK 100 100 100 100 3.2-3.4 3.6=100 HA ASP 34 - H ASP 60 far 0 96 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.5 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 362 from nnoeabs.peaks (7.86, 8.90, 125.82 ppm; 6.16 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 60 + H LYS 61 OK 100 100 100 100 4.3-4.6 4.6=100 HE21 GLN 62 + H LYS 61 OK 65 92 95 74 3.4-7.8 6.6/1904=60, 4571/4.3=21...(4) Violated in 0 structures by 0.00 A. Peak 363 from nnoeabs.peaks (4.86, 8.90, 125.82 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.71: * HA ASP 60 + H LYS 61 OK 71 100 100 71 2.1-2.3 3.6=71 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.7 4.3=100 Violated in 0 structures by 0.00 A. Peak 365 from nnoeabs.peaks (2.57, 8.90, 125.82 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 60 + H LYS 61 OK 100 100 100 100 3.9-4.5 4.3=100 HG2 MET 67 - H LYS 61 far 0 100 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 366 from nnoeabs.peaks (8.90, 8.43, 118.92 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + H GLN 62 OK 100 100 100 100 2.4-2.7 1904=100, 3.7/368=43...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 368 from nnoeabs.peaks (1.52, 8.43, 118.92 ppm; 4.39 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LYS 61 + H GLN 62 OK 99 100 100 99 3.0-4.3 4.6=86, 3.7/1904=63...(5) HG LEU 6 - H GLN 62 far 0 100 0 - 9.5-10.6 HG LEU 38 - H GLN 62 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 369 from nnoeabs.peaks (1.43, 8.43, 118.92 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 61 + H GLN 62 OK 100 100 100 100 2.7-4.1 4.6=89, 1.8/368=79...(6) HB3 LEU 63 + H GLN 62 OK 38 98 40 98 5.7-6.1 1411/1905=73...(6) HG2 LYS 96 - H GLN 62 far 0 96 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 370 from nnoeabs.peaks (1.03, 8.43, 118.92 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: * HG2 LYS 61 + H GLN 62 OK 99 100 100 99 2.0-4.9 3.0/368=73, 1394/1904=68...(5) Violated in 1 structures by 0.00 A. Peak 371 from nnoeabs.peaks (1.26, 8.43, 118.92 ppm; 5.99 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + H GLN 62 OK 100 100 100 100 2.2-5.4 1.8/370=99, 3.0/368=94...(4) Violated in 0 structures by 0.00 A. Peak 376 from nnoeabs.peaks (8.43, 7.67, 120.07 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 62 + H LEU 63 OK 100 100 100 100 2.3-2.6 1905=100, 2.9/377=47...(15) H VAL 32 - H LEU 63 far 0 97 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 377 from nnoeabs.peaks (4.11, 7.67, 120.07 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.99: * HA GLN 62 + H LEU 63 OK 99 100 100 99 3.4-3.5 3.6=89, 2.9/1905=62...(9) Violated in 19 structures by 0.06 A. Peak 378 from nnoeabs.peaks (2.17, 7.67, 120.07 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 62 + H LEU 63 OK 96 100 100 96 2.7-4.3 3.0/377=57, 4.0/1905=47...(10) HB3 GLN 62 + H LEU 63 OK 96 100 100 96 3.1-4.3 3.0/377=57, 4.0/1905=47...(10) HB3 GLU 37 - H LEU 63 far 0 96 0 - 9.5-11.6 Violated in 2 structures by 0.00 A. Peak 379 from nnoeabs.peaks (2.17, 7.67, 120.07 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 62 + H LEU 63 OK 96 100 100 96 2.7-4.3 3.0/377=57, 4.0/1905=47...(10) * HB3 GLN 62 + H LEU 63 OK 96 100 100 96 3.1-4.3 3.0/377=57, 4.0/1905=47...(10) HB3 GLU 37 - H LEU 63 far 0 96 0 - 9.5-11.6 Violated in 2 structures by 0.00 A. Peak 380 from nnoeabs.peaks (2.41, 7.67, 120.07 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 62 + H LEU 63 OK 100 100 100 100 2.0-3.9 3.9/377=80, 5.2/1905=65...(14) HG3 GLN 62 + H LEU 63 OK 100 100 100 100 2.1-4.9 3.9/377=80, 5.2/1905=65...(14) HG3 MET 67 - H LEU 63 poor 16 65 40 62 5.9-9.4 ~4711=20, 1.8/9672=15...(9) Violated in 0 structures by 0.00 A. Peak 381 from nnoeabs.peaks (2.41, 7.67, 120.07 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 62 + H LEU 63 OK 100 100 100 100 2.1-4.9 3.9/377=80, 5.2/1905=65...(14) HG2 GLN 62 + H LEU 63 OK 100 100 100 100 2.0-3.9 3.9/377=80, 5.2/1905=65...(14) HG3 MET 67 - H LEU 63 poor 18 70 40 63 5.9-9.4 ~4711=20, 1.8/9672=15...(9) Violated in 0 structures by 0.00 A. Peak 384 from nnoeabs.peaks (7.67, 7.63, 117.70 ppm; 2.73 A): 1 out of 1 assignment used, quality = 0.93: * H LEU 63 + H LEU 64 OK 93 100 100 93 2.6-2.8 1906=57, 1411/387=23...(13) Violated in 10 structures by 0.02 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 386 from nnoeabs.peaks (1.87, 7.63, 117.70 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + H LEU 64 OK 98 100 100 98 2.3-2.6 1.8/387=59, 1410/384=56...(14) QE MET 67 + H LEU 64 OK 83 94 100 89 3.7-4.3 9721/387=33, 9736=32...(13) QE MET 42 - H LEU 64 far 0 99 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 387 from nnoeabs.peaks (1.43, 7.63, 117.70 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 63 + H LEU 64 OK 100 100 100 100 2.8-3.2 7612=82, 1411/384=66...(13) HB3 LYS 61 - H LEU 64 far 0 98 0 - 5.7-6.4 HG12 ILE 56 - H LEU 64 far 0 100 0 - 7.8-11.1 HG LEU 80 - H LEU 64 far 0 77 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 389 from nnoeabs.peaks (0.71, 7.63, 117.70 ppm; 4.49 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 63 + H LEU 64 OK 100 100 100 100 4.4-4.6 2.1/390=85, 4.8=81...(13) QD1 LEU 6 + H LEU 64 OK 84 98 100 85 4.2-4.9 10965/3.6=32...(10) QG2 ILE 56 - H LEU 64 poor 10 77 50 27 5.6-8.0 10946/9736=19...(3) QD1 ILE 57 - H LEU 64 far 0 100 0 - 9.0-10.5 QG2 VAL 78 - H LEU 64 far 0 73 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 390 from nnoeabs.peaks (0.74, 7.63, 117.70 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 63 + H LEU 64 OK 100 100 100 100 4.1-4.4 1414/384=62, 4715/3.6=58...(17) QD2 LEU 6 - H LEU 64 poor 20 98 20 - 4.7-6.0 QG2 ILE 7 - H LEU 64 far 0 100 0 - 7.9-8.9 QD2 LEU 55 - H LEU 64 far 0 99 0 - 9.7-12.3 QG2 VAL 78 - H LEU 64 far 0 73 0 - 10.0-10.8 Violated in 20 structures by 0.37 A. Peak 391 from nnoeabs.peaks (7.63, 8.04, 118.31 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 64 + H LYS 65 OK 100 100 100 100 2.6-3.0 1907=90, 384/2086=43...(17) H LYS 115 + H ARG 118 OK 41 59 95 73 4.9-5.3 3.0/8261=48, 3.6/8259=16...(8) H GLU 69 - H LYS 65 far 0 100 0 - 5.9-6.2 HD21 ASN 10 - H THR 9 far 0 54 0 - 6.0-8.6 H LEU 64 - H THR 9 far 0 79 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 392 from nnoeabs.peaks (3.91, 8.04, 118.31 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 64 + H LYS 65 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 118 + H ARG 118 OK 48 48 100 100 2.7-2.7 2.9=100 HA LEU 64 - H THR 9 far 0 79 0 - 7.9-8.9 HB2 SER 35 - H LYS 65 far 0 87 0 - 9.0-12.0 HA LEU 38 - H LYS 65 far 0 99 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 393 from nnoeabs.peaks (1.79, 8.04, 118.31 ppm; 3.60 A): 2 out of 8 assignments used, quality = 0.99: * HB2 LEU 64 + H LYS 65 OK 98 100 100 98 2.4-4.2 4.2=61, 1.8/394=44...(12) HB2 ARG 118 + H ARG 118 OK 56 57 100 99 3.5-3.6 4.1=70, 3.0/6875=36...(11) HB2 LEU 64 - H THR 9 far 0 79 0 - 5.8-7.5 HG12 ILE 5 - H ARG 118 far 0 37 0 - 7.1-10.1 HB ILE 97 - H LYS 65 far 0 61 0 - 8.0-10.1 HG2 ARG 105 - H ARG 118 far 0 42 0 - 8.2-9.0 HB VAL 32 - H LYS 65 far 0 84 0 - 8.5-9.4 HB VAL 32 - H THR 9 far 0 59 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 394 from nnoeabs.peaks (1.63, 8.04, 118.31 ppm; 3.38 A): 2 out of 11 assignments used, quality = 0.99: * HB3 LEU 64 + H LYS 65 OK 96 100 100 96 2.4-3.8 4.2=51, 1.8/393=41...(15) HG LEU 64 + H LYS 65 OK 75 84 100 89 3.1-4.6 2.1/397=35, 2.1/396=33...(11) HB ILE 116 - H ARG 118 far 0 68 0 - 5.3-5.6 HG LEU 64 - H THR 9 far 0 59 0 - 6.2-8.9 HG LEU 63 - H LYS 65 far 0 94 0 - 6.2-6.9 HB3 LEU 64 - H THR 9 far 0 79 0 - 6.3-7.9 HB2 LEU 82 - H THR 9 far 0 71 0 - 6.3-9.3 HB ILE 5 - H ARG 118 far 0 40 0 - 8.0-9.3 HB2 LEU 82 - H LYS 65 far 0 96 0 - 8.6-11.8 HG2 LYS 16 - H THR 9 far 0 78 0 - 9.4-12.6 HG LEU 63 - H THR 9 far 0 69 0 - 9.8-11.1 Violated in 2 structures by 0.01 A. Peak 395 from nnoeabs.peaks (1.64, 8.04, 118.31 ppm; 3.38 A): 4 out of 13 assignments used, quality = 1.00: HD3 LYS 65 + H LYS 65 OK 91 94 100 97 3.5-4.8 3.0/1426=48, 3.0/1427=39...(23) * HG LEU 64 + H LYS 65 OK 90 100 100 90 3.1-4.6 2.1/397=35, 2.1/396=33...(11) HB3 LEU 64 + H LYS 65 OK 80 84 100 96 2.4-3.8 4.2=51, 1.8/393=41...(14) HD2 LYS 65 + H LYS 65 OK 76 87 90 97 3.6-5.0 3.0/1426=48, 3.0/1427=39...(23) HD3 LYS 115 - H ARG 118 far 0 40 0 - 5.0-7.9 HB ILE 116 - H ARG 118 far 0 52 0 - 5.3-5.6 HD2 LYS 115 - H ARG 118 far 0 48 0 - 5.4-7.6 HG LEU 64 - H THR 9 far 0 79 0 - 6.2-8.9 HB3 LEU 64 - H THR 9 far 0 59 0 - 6.3-7.9 HG LEU 114 - H ARG 118 far 0 59 0 - 6.9-8.0 HB ILE 5 - H ARG 118 far 0 66 0 - 8.0-9.3 HG LEU 114 - H THR 9 far 0 69 0 - 9.2-12.2 HG2 LYS 16 - H THR 9 far 0 54 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 396 from nnoeabs.peaks (0.81, 8.04, 118.31 ppm; 3.92 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 64 + H LYS 65 OK 100 100 100 100 1.8-4.7 4756/3.6=58, 4.7=58...(18) QD2 LEU 82 + H THR 9 OK 40 65 80 77 4.8-7.9 9971/4.6=35, 9970/4.6=33...(6) QD1 LEU 64 + H THR 9 OK 21 79 30 89 4.9-7.2 11688/3.6=43...(10) QD1 LEU 114 - H ARG 118 far 6 59 10 - 4.2-7.4 QD2 LEU 82 - H LYS 65 far 0 90 0 - 6.3-9.7 QG1 VAL 29 - H THR 9 far 0 56 0 - 8.4-10.7 QG2 ILE 71 - H LYS 65 far 0 100 0 - 8.8-10.1 QG1 VAL 29 - H ARG 118 far 0 48 0 - 9.0-12.7 QD1 LEU 114 - H THR 9 far 0 69 0 - 9.1-11.6 Violated in 6 structures by 0.07 A. Peak 397 from nnoeabs.peaks (0.78, 8.04, 118.31 ppm; 3.95 A): 2 out of 16 assignments used, quality = 1.00: * QD2 LEU 64 + H LYS 65 OK 100 100 100 100 1.8-3.7 4.7=59, 4757/3.6=59...(20) QD1 LEU 81 + H ARG 118 OK 41 64 100 64 4.4-5.2 10452/8261=34...(7) QD1 LEU 80 - H LYS 65 poor 19 96 20 - 5.2-8.3 QD1 ILE 15 - H THR 9 lone 6 41 90 17 3.8-5.5 2716/3.9=8, 9129/4.6=5 QD2 LEU 80 - H LYS 65 far 0 97 0 - 5.6-7.9 QD1 ILE 7 - H ARG 118 far 0 42 0 - 5.7-7.6 QD1 ILE 7 - H THR 9 far 0 51 0 - 6.3-6.9 QD1 LEU 80 - H THR 9 far 0 71 0 - 6.3-8.6 QD2 LEU 80 - H THR 9 far 0 73 0 - 6.4-9.4 QD2 LEU 64 - H THR 9 far 0 79 0 - 6.8-7.6 QD1 LEU 82 - H LYS 65 far 0 99 0 - 7.3-9.3 QD1 LEU 82 - H THR 9 far 0 76 0 - 7.3-8.3 QD1 LEU 81 - H THR 9 far 0 74 0 - 7.6-8.3 QG1 VAL 29 - H THR 9 far 0 48 0 - 8.4-10.7 QG1 VAL 29 - H ARG 118 far 0 40 0 - 9.0-12.7 QD1 ILE 7 - H LYS 65 far 0 73 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 398 from nnoeabs.peaks (8.04, 7.80, 119.36 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + H GLU 66 OK 100 100 100 100 2.5-3.1 1908=100, 2087/2093=47...(12) H SER 72 - H GLU 66 far 0 77 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 399 from nnoeabs.peaks (3.79, 7.80, 119.36 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 65 + H GLU 66 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 68 - H GLU 66 far 0 77 0 - 6.7-7.4 HB2 SER 58 - H GLU 66 far 0 81 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 400 from nnoeabs.peaks (1.93, 7.80, 119.36 ppm; 2.98 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 65 + H GLU 66 OK 95 100 100 95 2.1-4.1 7623=51, 1.8/7624=35...(12) HB3 LYS 65 + H GLU 66 OK 92 100 100 92 2.9-3.8 7624=49, 1.8/7623=36...(12) HB2 LEU 70 - H GLU 66 far 0 96 0 - 6.5-9.5 HB3 MET 42 - H GLU 66 far 0 73 0 - 9.0-10.4 HB2 GLU 41 - H GLU 66 far 0 73 0 - 9.1-10.8 HB2 LYS 39 - H GLU 66 far 0 100 0 - 9.2-11.9 HB3 GLU 41 - H GLU 66 far 0 77 0 - 9.4-10.5 Violated in 1 structures by 0.01 A. Peak 401 from nnoeabs.peaks (1.93, 7.80, 119.36 ppm; 2.98 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 65 + H GLU 66 OK 95 100 100 95 2.1-4.1 7623=51, 1.8/7624=35...(12) * HB3 LYS 65 + H GLU 66 OK 92 100 100 92 2.9-3.8 7624=49, 1.8/7623=36...(12) HB2 LEU 70 - H GLU 66 far 0 94 0 - 6.5-9.5 HB3 MET 42 - H GLU 66 far 0 70 0 - 9.0-10.4 HB2 GLU 41 - H GLU 66 far 0 70 0 - 9.1-10.8 HB2 LYS 39 - H GLU 66 far 0 100 0 - 9.2-11.9 HB3 GLU 41 - H GLU 66 far 0 73 0 - 9.4-10.5 Violated in 1 structures by 0.01 A. Peak 402 from nnoeabs.peaks (1.55, 7.80, 119.36 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 65 + H GLU 66 OK 100 100 100 100 1.8-4.4 7625=82, 4797/3.6=56...(12) Violated in 16 structures by 0.23 A. Peak 403 from nnoeabs.peaks (1.34, 7.80, 119.36 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 65 + H GLU 66 OK 100 100 100 100 3.4-4.9 7626=100, 1.8/402=97...(11) Violated in 4 structures by 0.01 A. Peak 408 from nnoeabs.peaks (7.80, 8.39, 118.40 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 66 + H MET 67 OK 99 100 100 99 2.7-2.9 1909=75, 1435/411=46...(18) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 410 from nnoeabs.peaks (2.04, 8.39, 118.40 ppm; 3.08 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 66 + H MET 67 OK 97 100 100 97 2.7-4.1 1.8/411=60, 4.1=43...(14) HB3 MET 67 + H MET 67 OK 91 94 100 97 2.1-3.6 1.8/1440=65, 4.0=44...(11) HB3 GLN 100 - H MET 67 far 0 96 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 411 from nnoeabs.peaks (2.09, 8.39, 118.40 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 66 + H MET 67 OK 99 100 100 99 2.6-3.6 7633=61, 4896/3.6=52...(11) HB3 GLU 69 - H MET 67 far 0 99 0 - 6.2-7.4 Violated in 2 structures by 0.02 A. Peak 412 from nnoeabs.peaks (2.39, 8.39, 118.40 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 66 + H MET 67 OK 99 100 100 99 2.9-5.0 4904/411=67, 4902/3.6=56...(13) HG3 MET 67 + H MET 67 OK 99 99 100 100 1.7-4.6 1.8/1442=73, 3.0/1440=68...(20) Violated in 3 structures by 0.01 A. Peak 413 from nnoeabs.peaks (2.19, 8.39, 118.40 ppm; 3.37 A): 1 out of 5 assignments used, quality = 0.71: HB2 MET 67 + H MET 67 OK 71 73 100 97 2.5-3.5 4.0=58, 3.0/1442=44...(14) ! HG3 GLU 66 - H MET 67 far 10 100 10 - 2.4-5.1 HB2 GLU 69 - H MET 67 far 0 81 0 - 5.0-6.6 HB2 MET 42 - H MET 67 far 0 99 0 - 6.7-8.0 HB3 GLU 37 - H MET 67 far 0 87 0 - 9.7-11.7 Violated in 1 structures by 0.01 A. Peak 414 from nnoeabs.peaks (8.39, 8.47, 118.27 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + H LEU 68 OK 100 100 100 100 2.5-2.9 1910=98, 1440/4.6=33...(15) H PHE 79 - H LEU 68 far 0 57 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 415 from nnoeabs.peaks (3.95, 8.47, 118.27 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 67 + H LEU 68 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 97 - H LEU 68 far 0 92 0 - 7.7-9.0 HB3 SER 35 - H LEU 68 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 416 from nnoeabs.peaks (2.20, 8.47, 118.27 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HB2 MET 67 + H LEU 68 OK 99 100 100 99 2.2-4.2 1440/414=60, 1.8/417=57...(12) HB2 GLU 69 + H LEU 68 OK 76 100 90 84 4.7-5.7 1454/421=60...(5) HG3 GLU 66 - H LEU 68 far 7 73 10 - 4.9-7.6 HB2 MET 42 - H LEU 68 far 0 87 0 - 6.4-7.8 HB2 GLN 100 - H LEU 68 far 0 97 0 - 7.9-9.3 Violated in 14 structures by 0.05 A. Peak 417 from nnoeabs.peaks (2.05, 8.47, 118.27 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.98: * HB3 MET 67 + H LEU 68 OK 97 100 100 97 2.5-4.0 4.6=47, 4.0/414=43...(10) HB2 GLU 66 + H LEU 68 OK 35 94 45 83 4.9-6.3 4.1/414=43, 3.0/2100=35...(6) HB3 GLN 100 - H LEU 68 far 0 100 0 - 7.9-9.4 Violated in 9 structures by 0.05 A. Peak 419 from nnoeabs.peaks (2.40, 8.47, 118.27 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 67 + H LEU 68 OK 100 100 100 100 2.0-4.9 3.0/417=62, 3.3/7641=60...(13) HG2 GLU 66 - H LEU 68 far 10 99 10 - 5.0-6.9 HG3 GLN 62 - H LEU 68 far 0 70 0 - 8.1-11.2 HG2 GLN 62 - H LEU 68 far 0 65 0 - 8.8-10.7 Violated in 1 structures by 0.01 A. Peak 420 from nnoeabs.peaks (1.88, 8.47, 118.27 ppm; 4.58 A): 3 out of 6 assignments used, quality = 1.00: * QE MET 67 + H LEU 68 OK 100 100 100 100 3.7-4.8 7641=83, 4949/3.6=72...(11) QE MET 42 + H LEU 68 OK 63 81 95 82 4.6-6.5 9424/3.6=41, 9427/419=35...(7) HB ILE 71 + H LEU 68 OK 21 73 30 96 4.5-6.8 8146/3.0=55, ~9760=35...(8) HB2 LEU 63 - H LEU 68 far 0 94 0 - 7.4-7.9 HB3 LYS 73 - H LEU 68 far 0 81 0 - 8.9-11.7 HB2 LYS 73 - H LEU 68 far 0 77 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 421 from nnoeabs.peaks (8.47, 7.63, 118.68 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H GLU 69 OK 100 100 100 100 2.7-3.0 1911=96, 1447/423=45...(13) Violated in 0 structures by 0.00 A. Peak 422 from nnoeabs.peaks (3.78, 7.63, 118.68 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + H GLU 69 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 65 + H GLU 69 OK 74 77 100 95 3.8-4.2 8129=70, 8125/423=35...(10) HB2 SER 58 - H GLU 69 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 423 from nnoeabs.peaks (1.75, 7.63, 118.68 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.98: * HB2 LEU 68 + H GLU 69 OK 98 100 100 98 2.5-3.0 1.8/424=68, 1447/421=55...(7) HB3 LYS 49 - H ALA 46 far 0 65 0 - 7.6-10.8 HB2 LEU 80 - H GLU 69 far 0 98 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 424 from nnoeabs.peaks (1.38, 7.63, 118.68 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 68 + H GLU 69 OK 100 100 100 100 2.7-3.4 7644=90, 1.8/423=80...(5) HG3 LYS 43 - H ALA 46 far 0 58 0 - 6.9-7.2 HG2 LYS 40 - H ALA 46 far 0 71 0 - 9.2-10.4 HG3 LYS 43 - H GLU 69 far 0 90 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 425 from nnoeabs.peaks (1.59, 7.63, 118.68 ppm; 3.90 A): 2 out of 7 assignments used, quality = 0.98: * HG LEU 68 + H GLU 69 OK 96 100 100 96 4.5-5.0 3.0/423=62, 1449/421=61...(7) HB3 LEU 70 + H GLU 69 OK 45 65 85 81 4.5-6.4 3.8/428=55, 4.5/2109=30...(5) HG2 LYS 44 - H ALA 46 poor 17 68 25 - 4.6-6.6 HG2 LYS 73 - H GLU 69 far 0 94 0 - 6.3-10.1 HB3 LEU 70 - H ALA 46 far 0 40 0 - 7.1-9.7 HG2 LYS 73 - H ALA 46 far 0 63 0 - 7.6-10.4 HG3 LYS 96 - H GLU 69 far 0 65 0 - 9.8-12.6 Violated in 20 structures by 0.38 A. 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 100 100 100 100 4.3-4.7 4.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.7 4.9=100 Violated in 0 structures by 0.00 A. Peak 428 from nnoeabs.peaks (7.63, 7.72, 119.50 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 69 + H LEU 70 OK 98 100 100 98 2.6-3.0 1912=60, 1455/431=44...(13) H LEU 74 - H LEU 70 far 0 65 0 - 6.1-6.9 H LEU 64 - H LEU 70 far 0 100 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 430 from nnoeabs.peaks (2.20, 7.72, 119.50 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 69 + H LEU 70 OK 99 100 100 99 2.5-4.2 1.8/431=74, 7649=70...(9) HB2 MET 42 + H LEU 70 OK 55 92 90 67 4.6-5.6 11366/5062=23...(7) HB2 MET 67 - H LEU 70 far 10 100 10 - 5.1-6.0 HG3 GLU 66 - H LEU 70 far 0 81 0 - 6.1-8.0 HB2 GLN 100 - H LEU 70 far 0 94 0 - 8.4-10.2 Violated in 1 structures by 0.01 A. Peak 431 from nnoeabs.peaks (2.09, 7.72, 119.50 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 69 + H LEU 70 OK 100 100 100 100 3.1-4.0 7650=86, 5000/3.6=62...(8) HB3 GLU 66 - H LEU 70 far 0 99 0 - 5.4-6.9 Violated in 17 structures by 0.11 A. Peak 432 from nnoeabs.peaks (2.27, 7.72, 119.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 69 + H LEU 70 OK 100 100 100 100 2.0-4.9 7651=100, 5013/431=100...(6) Violated in 0 structures by 0.00 A. Peak 433 from nnoeabs.peaks (2.44, 7.72, 119.50 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 69 + H LEU 70 OK 100 100 100 100 2.4-5.3 1.8/7651=100...(6) HG2 GLN 100 - H LEU 70 far 5 99 5 - 7.7-10.7 Violated in 0 structures by 0.00 A. Peak 434 from nnoeabs.peaks (7.72, 8.60, 116.79 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 70 + H ILE 71 OK 100 100 100 100 2.5-2.7 1913=98, 1461/437=41...(14) H LYS 73 + H ILE 71 OK 85 98 100 87 4.0-4.2 448/441=40, 2126/3.6=38...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 436 from nnoeabs.peaks (1.94, 8.60, 116.79 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LEU 70 + H ILE 71 OK 98 100 100 98 2.8-3.6 1.8/437=56, 4.5=50...(10) HB3 MET 42 + H ILE 71 OK 37 96 55 71 4.6-6.4 5043/437=21...(7) HB3 GLU 41 - H ILE 71 far 0 97 0 - 7.0-9.8 HB2 GLU 41 - H ILE 71 far 0 96 0 - 7.8-9.8 HB3 LYS 65 - H ILE 71 far 0 94 0 - 8.6-10.0 HB2 LYS 65 - H ILE 71 far 0 96 0 - 8.9-9.8 Violated in 3 structures by 0.00 A. Peak 437 from nnoeabs.peaks (1.57, 8.60, 116.79 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + H ILE 71 OK 100 100 100 100 2.7-3.8 4.5=80, 1461/1913=66...(14) HG LEU 68 - H ILE 71 far 0 65 0 - 5.9-6.3 HB VAL 78 - H ILE 71 far 0 84 0 - 6.0-6.6 Violated in 0 structures by 0.00 A. Peak 438 from nnoeabs.peaks (1.85, 8.60, 116.79 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + H ILE 71 OK 100 100 100 100 4.6-5.0 2.1/7657=66...(10) QE MET 42 + H ILE 71 OK 59 65 100 90 3.0-5.4 11630/1471=27...(14) Violated in 9 structures by 0.07 A. Peak 439 from nnoeabs.peaks (0.91, 8.60, 116.79 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 70 + H ILE 71 OK 100 100 100 100 4.1-4.5 7657=100, 5056/3.6=76...(9) QD2 LEU 70 + H ILE 71 OK 100 100 100 100 4.8-5.0 4.7=90, 2.1/7657=82...(10) QD2 LEU 38 - H ILE 71 far 0 70 0 - 7.7-9.0 HG13 ILE 97 - H ILE 71 far 0 61 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 440 from nnoeabs.peaks (0.90, 8.60, 116.79 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + H ILE 71 OK 100 100 100 100 4.8-5.0 4.7=96, 2.1/7657=84...(10) QD1 LEU 70 + H ILE 71 OK 100 100 100 100 4.1-4.5 7657=100, 5056/3.6=78...(9) QD2 LEU 38 - H ILE 71 far 0 81 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 441 from nnoeabs.peaks (8.60, 8.02, 116.52 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + H SER 72 OK 100 100 100 100 2.3-2.8 1914=91, 1467/4.5=40...(12) Violated in 0 structures by 0.00 A. Peak 442 from nnoeabs.peaks (3.74, 8.02, 116.52 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 71 + H SER 72 OK 100 100 100 100 3.4-3.6 3.6=100 HA2 GLY 101 - H SER 72 far 0 77 0 - 7.0-10.0 Violated in 0 structures by 0.00 A. Peak 443 from nnoeabs.peaks (1.90, 8.02, 116.52 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.99: * HB ILE 71 + H SER 72 OK 99 100 100 99 2.4-3.6 4.5=67, 1467/441=57...(13) HB3 LYS 73 + H SER 72 OK 40 100 65 61 4.5-6.4 4.0/448=48, 4.3/9802=16...(4) HB2 LYS 73 - H SER 72 poor 16 100 25 65 4.8-6.3 4.0/448=48, 4.3/9802=16...(5) QE MET 67 - H SER 72 far 0 73 0 - 8.0-9.6 HG LEU 45 - H SER 72 far 0 81 0 - 9.5-11.3 HB2 LEU 45 - H SER 72 far 0 96 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 444 from nnoeabs.peaks (0.82, 8.02, 116.52 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + H SER 72 OK 100 100 100 100 3.1-4.4 4.1=97, 5083/441=53...(13) QD1 LEU 74 + H SER 72 OK 56 100 65 86 4.7-7.2 9819/3.6=50, 1468/441=23...(11) QD2 LEU 74 - H SER 72 poor 17 100 25 70 5.2-7.2 11347/3.6=47...(7) QD1 LEU 64 - H SER 72 far 0 100 0 - 8.4-10.2 Violated in 6 structures by 0.03 A. Peak 445 from nnoeabs.peaks (1.69, 8.02, 116.52 ppm; 4.90 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 71 + H SER 72 OK 100 100 100 100 2.5-4.7 4.6/441=63, 2.1/447=61...(16) HG LEU 74 + H SER 72 OK 61 92 75 89 4.4-7.1 11278/3.6=43...(9) HD2 LYS 73 - H SER 72 poor 17 94 25 72 4.6-8.0 6.4/448=38, 3.8/443=18...(9) HD3 LYS 73 - H SER 72 poor 16 92 25 68 3.9-7.6 6.4/448=38, 3.8/443=18...(7) HD2 LYS 43 - H SER 72 far 0 77 0 - 8.7-13.8 HD3 LYS 43 - H SER 72 far 0 92 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 446 from nnoeabs.peaks (1.02, 8.02, 116.52 ppm; 5.73 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 71 + H SER 72 OK 100 100 100 100 2.4-5.2 1470/441=89, 2.1/447=79...(9) HG12 ILE 97 - H SER 72 far 0 61 0 - 9.1-12.0 HG3 LYS 2 - H SER 72 far 0 84 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 447 from nnoeabs.peaks (0.65, 8.02, 116.52 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 71 + H SER 72 OK 100 100 100 100 4.0-4.8 1471/441=78, 2.1/446=67...(11) QD1 LEU 4 - H SER 72 poor 12 87 25 55 6.2-9.5 5089/4.1=28, 5075/3.6=18...(5) QD1 ILE 56 - H SER 72 far 0 97 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 448 from nnoeabs.peaks (8.02, 7.72, 120.73 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.96: * H SER 72 + H LYS 73 OK 96 100 100 96 2.4-2.9 4.6=56, 2122/2127=37...(18) Violated in 0 structures by 0.00 A. Peak 449 from nnoeabs.peaks (4.37, 7.72, 120.73 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 72 + H LYS 73 OK 100 100 100 100 3.5-3.5 3.6=100 HA MET 42 - H LYS 73 far 0 65 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 450 from nnoeabs.peaks (4.12, 7.72, 120.73 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.96: HB3 SER 72 + H LYS 73 OK 81 100 100 81 2.6-3.1 4.6=55, 4.0/448=44...(4) * HB2 SER 72 + H LYS 73 OK 81 100 100 81 3.6-4.3 4.6=55, 4.0/448=44, 8151/2127=24 Violated in 0 structures by 0.00 A. Peak 451 from nnoeabs.peaks (4.12, 7.72, 120.73 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.96: * HB3 SER 72 + H LYS 73 OK 81 100 100 81 2.6-3.1 4.6=55, 4.0/448=44...(4) HB2 SER 72 + H LYS 73 OK 81 100 100 81 3.6-4.3 4.6=55, 4.0/448=44, 8151/2127=24 Violated in 0 structures by 0.00 A. Peak 452 from nnoeabs.peaks (7.72, 7.61, 117.57 ppm; 3.39 A): 1 out of 3 assignments used, quality = 0.98: * H LYS 73 + H LEU 74 OK 98 100 100 98 2.3-2.7 1916=92, 1480/7671=33...(14) H LEU 70 - H LEU 74 far 0 98 0 - 6.1-6.9 H GLU 47 - H LEU 74 far 0 92 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 453 from nnoeabs.peaks (4.29, 7.61, 117.57 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 73 + H LEU 74 OK 100 100 100 100 3.4-3.6 3.6=100 HA ASP 12 + H LYS 16 OK 50 60 100 84 4.2-4.6 7965/77=37, 9174/81=35...(6) Violated in 0 structures by 0.00 A. Peak 454 from nnoeabs.peaks (1.90, 7.61, 117.57 ppm; 2.74 A): 4 out of 12 assignments used, quality = 0.99: HB3 LYS 73 + H LEU 74 OK 77 100 100 77 3.1-4.1 7669=27, 2.9/456=26...(9) HB3 LYS 16 + H LYS 16 OK 67 75 100 90 2.9-3.6 3.0/1106=37, 4.0=32...(11) HB2 LYS 16 + H LYS 16 OK 64 71 100 90 2.8-3.5 3.0/1106=37, 4.0=32...(11) * HB2 LYS 73 + H LEU 74 OK 50 100 65 78 2.5-4.4 7669=28, 2.9/456=26...(9) HB ILE 71 - H LEU 74 far 0 100 0 - 4.9-5.5 HB2 LEU 45 - H LEU 74 far 0 94 0 - 7.1-9.2 HB3 LYS 20 - H LYS 16 far 0 95 0 - 7.1-9.5 HB2 LYS 20 - H LYS 16 far 0 95 0 - 7.9-9.1 HG LEU 45 - H LEU 74 far 0 84 0 - 8.1-10.5 HB ILE 7 - H LYS 16 far 0 96 0 - 8.5-10.2 HB3 LYS 43 - H LEU 74 far 0 98 0 - 9.2-12.2 HB2 LYS 43 - H LEU 74 far 0 87 0 - 9.9-12.2 Violated in 5 structures by 0.00 A. Peak 455 from nnoeabs.peaks (1.89, 7.61, 117.57 ppm; 2.74 A): 4 out of 12 assignments used, quality = 0.99: * HB3 LYS 73 + H LEU 74 OK 77 100 100 77 3.1-4.1 7669=27, 2.9/456=26...(9) HB3 LYS 16 + H LYS 16 OK 70 78 100 90 2.9-3.6 3.0/1106=37, 4.0=32...(11) HB2 LYS 16 + H LYS 16 OK 67 75 100 90 2.8-3.5 3.0/1106=37, 4.0=32...(11) HB2 LYS 73 + H LEU 74 OK 50 100 65 78 2.5-4.4 7669=28, 2.9/456=26...(9) HB ILE 71 - H LEU 74 far 0 100 0 - 4.9-5.5 HB2 LEU 45 - H LEU 74 far 0 92 0 - 7.1-9.2 HB3 LYS 20 - H LYS 16 far 0 96 0 - 7.1-9.5 HB2 LYS 20 - H LYS 16 far 0 96 0 - 7.9-9.1 HG LEU 45 - H LEU 74 far 0 87 0 - 8.1-10.5 HB ILE 7 - H LYS 16 far 0 97 0 - 8.5-10.2 HB3 LYS 43 - H LEU 74 far 0 97 0 - 9.2-12.2 HB2 LYS 43 - H LEU 74 far 0 84 0 - 9.9-12.2 Violated in 5 structures by 0.00 A. Peak 456 from nnoeabs.peaks (1.60, 7.61, 117.57 ppm; 3.21 A): 2 out of 4 assignments used, quality = 0.91: * HG2 LYS 73 + H LEU 74 OK 88 100 100 88 3.0-4.4 7671=41, 1480/452=38...(9) HD2 LYS 19 + H LYS 16 OK 28 96 70 42 3.4-6.0 10913/78=16...(4) HD3 LYS 19 - H LYS 16 poor 10 96 25 42 3.7-7.0 10913/78=16...(4) HG3 LYS 19 - H LYS 16 far 5 97 5 - 3.9-6.4 Violated in 15 structures by 0.17 A. Peak 457 from nnoeabs.peaks (1.48, 7.61, 117.57 ppm; 3.56 A): 2 out of 6 assignments used, quality = 0.99: * HG3 LYS 73 + H LEU 74 OK 93 100 95 98 2.1-5.2 1.8/456=57, 5128/3.6=44...(17) HB2 LEU 74 + H LEU 74 OK 86 87 100 99 2.1-3.7 3.8=83, 3.1/5248=46...(12) HG3 LYS 20 - H LYS 16 far 0 97 0 - 6.8-10.7 HB3 LEU 45 - H LEU 74 far 0 96 0 - 8.0-10.5 HG12 ILE 57 - H LYS 16 far 0 60 0 - 8.4-10.1 HG12 ILE 7 - H LYS 16 far 0 56 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 458 from nnoeabs.peaks (1.68, 7.61, 117.57 ppm; 3.04 A): 4 out of 11 assignments used, quality = 1.00: HD2 LYS 16 + H LYS 16 OK 93 97 100 96 2.3-4.3 2.9/1106=46, 2.9/1107=36...(19) HD3 LYS 16 + H LYS 16 OK 92 96 100 96 2.0-4.4 2.9/1106=46, 2.9/1107=36...(20) HG LEU 74 + H LEU 74 OK 54 61 100 89 2.1-4.2 2.1/5248=40, 2.1/5241=34...(14) * HD2 LYS 73 + H LEU 74 OK 27 100 35 78 3.1-5.9 3.0/456=32, 3.0/457=21...(13) HD3 LYS 73 - H LEU 74 poor 20 100 20 - 2.8-6.1 HD2 LYS 17 - H LYS 16 far 0 96 0 - 5.6-7.4 HG12 ILE 71 - H LEU 74 far 0 94 0 - 5.7-6.9 HD3 LYS 20 - H LYS 16 far 0 97 0 - 6.3-10.0 HD3 LYS 43 - H LEU 74 far 0 100 0 - 6.8-10.4 HD2 LYS 20 - H LYS 16 far 0 96 0 - 7.4-11.2 HD2 LYS 43 - H LEU 74 far 0 98 0 - 7.6-11.9 Violated in 1 structures by 0.00 A. Peak 459 from nnoeabs.peaks (1.68, 7.61, 117.57 ppm; 3.04 A): 3 out of 10 assignments used, quality = 1.00: HD2 LYS 16 + H LYS 16 OK 93 97 100 96 2.3-4.3 2.9/1106=46, 2.9/1107=36...(19) HD3 LYS 16 + H LYS 16 OK 91 95 100 96 2.0-4.4 2.9/1106=46, 2.9/1107=36...(20) HD2 LYS 73 + H LEU 74 OK 27 100 35 78 3.1-5.9 3.0/456=32, 3.0/457=21...(13) ! HD3 LYS 73 - H LEU 74 poor 15 100 20 77 2.8-6.1 3.0/456=32, 3.0/457=21...(12) HD2 LYS 17 - H LYS 16 far 0 96 0 - 5.6-7.4 HG12 ILE 71 - H LEU 74 far 0 92 0 - 5.7-6.9 HD3 LYS 20 - H LYS 16 far 0 96 0 - 6.3-10.0 HD3 LYS 43 - H LEU 74 far 0 100 0 - 6.8-10.4 HD2 LYS 20 - H LYS 16 far 0 96 0 - 7.4-11.2 HD2 LYS 43 - H LEU 74 far 0 99 0 - 7.6-11.9 Violated in 3 structures by 0.03 A. Peak 462 from nnoeabs.peaks (7.61, 7.92, 105.99 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 74 + H GLY 75 OK 97 100 100 97 2.3-2.8 1917=87, 9827/469=29...(9) H GLU 69 - H GLY 75 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 464 from nnoeabs.peaks (1.47, 7.92, 105.99 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 74 + H GLY 75 OK 100 100 100 100 2.8-4.5 4.6=100 HG3 LYS 73 + H GLY 75 OK 72 87 95 87 4.4-6.8 7672/462=45, 5215/3.6=27...(8) HG LEU 4 - H GLY 75 far 0 77 0 - 7.7-12.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 466 from nnoeabs.peaks (1.70, 7.92, 105.99 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.98: * HG LEU 74 + H GLY 75 OK 97 100 100 97 4.2-5.8 5234/462=89, 2.1/468=41...(5) HD2 LYS 73 + H GLY 75 OK 34 61 80 70 4.6-7.6 3.0/464=32, 5217/3.6=20...(7) HG12 ILE 71 - H GLY 75 far 14 92 15 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 467 from nnoeabs.peaks (0.82, 7.92, 105.99 ppm; 4.38 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 74 + H GLY 75 OK 99 100 100 99 4.2-5.0 5249/3.6=78, 4.8=76...(6) * QD1 LEU 74 + H GLY 75 OK 96 100 100 96 4.4-5.5 4.8=76, 5241/462=60...(5) QG2 ILE 71 + H GLY 75 OK 43 100 55 77 3.7-6.4 9797/469=50, 9789/4.6=32...(5) Violated in 0 structures by 0.00 A. Peak 468 from nnoeabs.peaks (0.82, 7.92, 105.99 ppm; 4.38 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 74 + H GLY 75 OK 99 100 100 99 4.2-5.0 5249/3.6=78, 4.8=76...(6) QD1 LEU 74 + H GLY 75 OK 96 100 100 96 4.4-5.5 4.8=76, 5241/462=60...(5) QG2 ILE 71 + H GLY 75 OK 43 100 55 77 3.7-6.4 9797/469=50, 9789/4.6=32...(5) Violated in 0 structures by 0.00 A. Peak 469 from nnoeabs.peaks (7.92, 7.37, 118.45 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * H GLY 75 + H TYR 76 OK 99 100 100 99 2.3-2.7 1918=97, 462/9827=37...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 471 from nnoeabs.peaks (4.01, 7.37, 118.45 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 75 + H TYR 76 OK 100 100 100 100 3.0-3.5 3.6=100 HA3 GLY 101 - H TYR 76 far 0 100 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 473 from nnoeabs.peaks (4.78, 8.29, 122.87 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 76 + H LYS 77 OK 100 100 100 100 2.1-2.5 3.6=100 HA PHE 51 - H LYS 77 far 0 57 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 474 from nnoeabs.peaks (2.66, 8.29, 122.87 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 76 + H LYS 77 OK 100 100 100 100 2.3-4.4 4.4=92, 1.8/475=83...(4) Violated in 9 structures by 0.02 A. Peak 475 from nnoeabs.peaks (2.85, 8.29, 122.87 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.97: * HB3 TYR 76 + H LYS 77 OK 97 100 100 97 3.3-4.1 4.4=77, 1.8/474=69, 2.5/479=58 Violated in 7 structures by 0.02 A. Peak 479 from nnoeabs.peaks (6.86, 8.29, 122.87 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + H LYS 77 OK 100 100 100 100 3.8-4.1 4.7=86, 2.5/475=78...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.3 4.7=100 Violated in 0 structures by 0.00 A. Peak 481 from nnoeabs.peaks (4.55, 7.83, 124.07 ppm; 2.98 A): 1 out of 2 assignments used, quality = 0.93: * HA LYS 77 + H VAL 78 OK 93 100 100 93 2.2-2.2 7691=73, 4.0/485=20...(10) HA PHE 79 - H VAL 78 far 0 61 0 - 4.9-5.1 Violated in 0 structures by 0.00 A. Peak 482 from nnoeabs.peaks (1.84, 7.83, 124.07 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 77 + H VAL 78 OK 100 100 100 100 4.3-4.6 4.3=100 HB3 LYS 77 + H VAL 78 OK 100 100 100 100 4.2-4.6 4.3=100 HG LEU 127 - H VAL 78 far 0 77 0 - 8.4-9.2 HD2 LYS 123 - H VAL 78 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 483 from nnoeabs.peaks (1.84, 7.83, 124.07 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 77 + H VAL 78 OK 100 100 100 100 4.2-4.6 4.3=100 HB2 LYS 77 + H VAL 78 OK 100 100 100 100 4.3-4.6 4.3=100 HG LEU 127 - H VAL 78 far 0 70 0 - 8.4-9.2 HD2 LYS 123 - H VAL 78 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 484 from nnoeabs.peaks (1.35, 7.83, 124.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 77 + H VAL 78 OK 100 100 100 100 5.0-5.2 1.8/485=100, 4.0/481=99...(8) Violated in 0 structures by 0.00 A. Peak 485 from nnoeabs.peaks (1.17, 7.83, 124.07 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + H VAL 78 OK 100 100 100 100 3.4-4.1 7695=79, 4.0/481=75...(9) Violated in 0 structures by 0.00 A. Peak 486 from nnoeabs.peaks (1.62, 7.83, 124.07 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.99: * HD2 LYS 77 + H VAL 78 OK 95 100 100 95 3.3-5.3 3.0/485=47, 7696=42...(7) HD3 LYS 77 + H VAL 78 OK 90 100 95 95 2.6-5.5 3.0/485=47, 7697=42...(7) HB3 LEU 127 - H VAL 78 far 0 90 0 - 7.9-10.2 HG LEU 64 - H VAL 78 far 0 65 0 - 9.9-12.2 Violated in 2 structures by 0.00 A. Peak 487 from nnoeabs.peaks (1.62, 7.83, 124.07 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.99: HD2 LYS 77 + H VAL 78 OK 95 100 100 95 3.3-5.3 3.0/485=47, 7696=42...(7) * HD3 LYS 77 + H VAL 78 OK 90 100 95 95 2.6-5.5 3.0/485=47, 7697=42...(7) HB3 LEU 127 - H VAL 78 far 0 92 0 - 7.9-10.2 HG LEU 64 - H VAL 78 far 0 61 0 - 9.9-12.2 Violated in 2 structures by 0.00 A. 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 100 100 100 100 4.4-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 491 from nnoeabs.peaks (5.17, 8.37, 126.17 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.95: * HA VAL 78 + H PHE 79 OK 95 100 100 95 2.2-2.3 7700=77, 3.2/7703=36...(12) HA ILE 7 - H PHE 79 far 0 81 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 492 from nnoeabs.peaks (1.56, 8.37, 126.17 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 78 + H PHE 79 OK 100 100 100 100 3.7-4.1 4.4=100 HG LEU 55 - H PHE 79 far 0 94 0 - 7.3-9.8 HG12 ILE 3 - H PHE 79 far 0 99 0 - 7.9-9.0 HG2 LYS 123 - H PHE 79 far 0 65 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 493 from nnoeabs.peaks (0.72, 8.37, 126.17 ppm; 3.73 A): 1 out of 9 assignments used, quality = 0.99: * QG2 VAL 78 + H PHE 79 OK 99 100 100 99 3.6-3.9 4.1=74, 2.1/7703=68...(12) QD2 LEU 6 - H PHE 79 poor 14 92 25 63 5.1-6.0 4.8/9070=29...(6) QG1 VAL 117 - H PHE 79 far 0 99 0 - 5.8-6.9 QD2 LEU 55 - H PHE 79 far 0 90 0 - 5.8-9.4 QD1 LEU 6 - H PHE 79 far 0 92 0 - 6.1-6.6 QD2 LEU 81 - H PHE 79 far 0 61 0 - 7.6-8.5 QG2 ILE 7 - H PHE 79 far 0 61 0 - 7.8-8.6 QG2 ILE 18 - H PHE 79 far 0 97 0 - 8.6-9.8 QD1 ILE 57 - H PHE 79 far 0 65 0 - 8.8-11.4 Violated in 10 structures by 0.04 A. Peak 494 from nnoeabs.peaks (0.61, 8.37, 126.17 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 78 + H PHE 79 OK 99 100 100 99 1.9-2.1 7703=80, 3.2/491=57...(18) QD1 ILE 5 + H PHE 79 OK 76 94 90 90 2.5-5.1 10740/4.0=32...(11) QD1 ILE 18 - H PHE 79 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 496 from nnoeabs.peaks (4.57, 8.60, 123.96 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.87: * HA PHE 79 + H LEU 80 OK 87 100 100 87 2.3-2.4 3.6=81, 10816/3.8=15...(5) HA LYS 77 - H LEU 80 far 0 61 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 498 from nnoeabs.peaks (2.08, 8.60, 123.96 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 79 + H LEU 80 OK 100 100 100 100 2.5-3.7 4.5=100 HB2 GLU 103 + H LEU 80 OK 70 87 100 81 3.6-6.0 11014/3.6=60...(3) HB2 LYS 94 - H LEU 80 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 504 from nnoeabs.peaks (5.55, 9.06, 126.69 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.94: * HA LEU 80 + H LEU 81 OK 94 100 100 94 2.1-2.2 7710=74, 3.0/506=33...(11) Violated in 0 structures by 0.00 A. Peak 505 from nnoeabs.peaks (1.75, 9.06, 126.69 ppm; 4.52 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 80 + H LEU 81 OK 100 100 100 100 3.8-4.4 4.2=100 HB3 LEU 82 - H LEU 81 far 7 70 10 - 4.7-6.7 HG3 ARG 105 - H LEU 81 far 0 100 0 - 6.7-9.8 HB2 LEU 68 - H LEU 81 far 0 98 0 - 8.4-9.8 HB3 LYS 94 - H LEU 81 far 0 65 0 - 8.8-12.2 HG12 ILE 18 - H LEU 81 far 0 87 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 506 from nnoeabs.peaks (1.29, 9.06, 126.69 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LEU 80 + H LEU 81 OK 99 100 100 99 3.3-4.4 4.2=87, 3.0/504=78...(9) Violated in 12 structures by 0.05 A. Peak 508 from nnoeabs.peaks (0.78, 9.06, 126.69 ppm; 3.18 A): 4 out of 9 assignments used, quality = 1.00: QD1 LEU 80 + H LEU 81 OK 94 100 100 94 1.9-4.1 7715=55, 5503/504=40...(14) * QD2 LEU 80 + H LEU 81 OK 92 100 100 92 1.9-4.6 2.1/7715=47, 3.9/504=38...(16) QD1 LEU 81 + H LEU 81 OK 80 84 100 95 4.4-4.6 3.1/1536=39, 5538/3.0=38...(15) QD1 ILE 7 + H LEU 81 OK 54 94 75 77 2.7-5.3 9087=30, 4.1/9951=28...(10) QD1 LEU 82 - H LEU 81 far 10 100 10 - 3.1-5.8 QD2 LEU 64 - H LEU 81 far 10 97 10 - 4.6-7.2 QG1 VAL 107 - H LEU 81 far 0 84 0 - 6.3-7.5 QD1 ILE 15 - H LEU 81 far 0 87 0 - 8.7-11.2 QD2 LEU 14 - H LEU 81 far 0 84 0 - 9.2-10.3 Violated in 2 structures by 0.00 A. Peak 509 from nnoeabs.peaks (0.78, 9.06, 126.69 ppm; 3.18 A): 4 out of 9 assignments used, quality = 1.00: * QD1 LEU 80 + H LEU 81 OK 94 100 100 94 1.9-4.1 7715=55, 5503/504=40...(14) QD2 LEU 80 + H LEU 81 OK 92 100 100 92 1.9-4.6 2.1/7715=47, 3.9/504=38...(16) QD1 LEU 81 + H LEU 81 OK 77 81 100 95 4.4-4.6 3.1/1536=39, 5538/3.0=36...(15) QD1 ILE 7 + H LEU 81 OK 56 96 75 78 2.7-5.3 9087=30, 4.1/9951=28...(10) QD1 LEU 82 - H LEU 81 far 10 100 10 - 3.1-5.8 QD2 LEU 64 - H LEU 81 far 10 96 10 - 4.6-7.2 QG1 VAL 107 - H LEU 81 far 0 87 0 - 6.3-7.5 QD1 ILE 15 - H LEU 81 far 0 90 0 - 8.7-11.2 QD2 LEU 14 - H LEU 81 far 0 87 0 - 9.2-10.3 Violated in 2 structures by 0.00 A. Peak 511 from nnoeabs.peaks (5.27, 8.86, 124.89 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.92: * HA LEU 81 + H LEU 82 OK 92 100 100 92 2.1-2.2 7716=63, 5538/7720=35...(11) HA GLN 83 - H LEU 82 far 0 94 0 - 4.9-5.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 513 from nnoeabs.peaks (1.36, 8.86, 124.89 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 81 + H LEU 82 OK 99 100 100 99 4.3-4.5 3.0/511=74, 3.1/7720=61...(9) HG LEU 81 + H LEU 82 OK 90 92 100 98 3.1-3.3 2.1/7720=76, 2.1/516=52...(8) HG2 LYS 94 - H LEU 82 far 0 84 0 - 5.6-9.8 Violated in 0 structures by 0.00 A. Peak 514 from nnoeabs.peaks (1.35, 8.86, 124.89 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 81 + H LEU 82 OK 98 100 100 98 3.1-3.3 2.1/7720=76, 2.1/516=52...(8) HB3 LEU 81 + H LEU 82 OK 91 92 100 99 4.3-4.5 3.0/511=74, 3.1/7720=61...(9) Violated in 0 structures by 0.00 A. Peak 515 from nnoeabs.peaks (0.79, 8.86, 124.89 ppm; 3.19 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 81 + H LEU 82 OK 97 100 100 97 3.5-3.9 7720=69, 5538/511=48...(10) QD1 LEU 82 + H LEU 82 OK 88 90 100 98 1.7-4.1 2.1/1545=57, 2.1/1546=48...(13) QD2 LEU 80 + H LEU 82 OK 34 84 65 63 2.7-6.7 5578/1545=12...(12) QD1 LEU 80 - H LEU 82 poor 20 81 40 62 2.5-6.3 7715/4.6=18...(12) QD2 LEU 64 - H LEU 82 far 0 98 0 - 6.4-8.5 Violated in 11 structures by 0.05 A. Peak 516 from nnoeabs.peaks (0.71, 8.86, 124.89 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 81 + H LEU 82 OK 100 100 100 100 4.5-4.7 2.1/7720=94, 4.9=84...(8) QD1 LEU 6 - H LEU 82 far 0 94 0 - 6.2-7.8 QG1 VAL 117 - H LEU 82 far 0 77 0 - 6.6-7.4 QG2 ILE 18 - H LEU 82 far 0 87 0 - 8.3-9.6 Violated in 10 structures by 0.02 A. 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 100 100 100 100 4.5-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 518 from nnoeabs.peaks (4.91, 8.44, 122.15 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.94: * HA LEU 82 + H GLN 83 OK 94 100 100 94 2.2-2.4 3.6=58, 3.0/519=34...(10) HA ARG 105 - H GLN 83 far 0 99 0 - 8.4-9.9 HA ILE 57 - H GLN 83 far 0 100 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 519 from nnoeabs.peaks (1.62, 8.44, 122.15 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 82 + H GLN 83 OK 100 100 100 100 2.5-4.1 3.0/518=73, 1.8/520=64...(10) HG LEU 90 - H GLN 83 far 0 65 0 - 6.3-7.6 HB ILE 116 - H GLN 83 far 0 94 0 - 8.0-8.7 HB3 LEU 64 - H GLN 83 far 0 96 0 - 8.8-9.9 Violated in 15 structures by 0.10 A. Peak 520 from nnoeabs.peaks (1.74, 8.44, 122.15 ppm; 4.27 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 82 + H GLN 83 OK 100 100 100 100 2.6-3.6 1.8/519=87, 3.0/518=84...(9) HB3 LEU 90 - H GLN 83 far 0 81 0 - 5.9-9.4 HG3 ARG 105 - H GLN 83 far 0 73 0 - 7.1-11.1 HB3 LYS 94 - H GLN 83 far 0 100 0 - 8.2-12.3 HB2 LEU 80 - H GLN 83 far 0 70 0 - 8.8-10.1 HG12 ILE 15 - H GLN 83 far 0 92 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 522 from nnoeabs.peaks (0.82, 8.44, 122.15 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 82 + H GLN 83 OK 100 100 100 100 2.4-3.7 7726=66, 5580/518=58...(10) QD1 LEU 64 - H GLN 83 far 0 90 0 - 5.9-8.2 QG2 ILE 57 - H GLN 83 far 0 77 0 - 7.7-9.7 QG2 ILE 5 - H GLN 83 far 0 73 0 - 9.7-10.7 QD1 LEU 114 - H GLN 83 far 0 57 0 - 9.9-11.4 Violated in 1 structures by 0.00 A. Peak 523 from nnoeabs.peaks (0.78, 8.44, 122.15 ppm; 3.60 A): 2 out of 9 assignments used, quality = 0.99: * QD1 LEU 82 + H GLN 83 OK 98 100 100 98 3.9-4.8 2.1/522=68, 3.9/518=50...(8) QG1 VAL 107 + H GLN 83 OK 67 77 100 86 3.9-4.2 ~10305=27, 10021/4.5=23...(16) QD1 LEU 80 - H GLN 83 far 0 100 0 - 5.3-8.5 QD2 LEU 80 - H GLN 83 far 0 100 0 - 5.3-9.3 QD1 LEU 81 - H GLN 83 far 0 90 0 - 5.5-6.6 QD2 LEU 14 - H GLN 83 far 0 77 0 - 5.6-7.1 QD2 LEU 64 - H GLN 83 far 0 99 0 - 7.3-9.0 QD1 ILE 7 - H GLN 83 far 0 90 0 - 7.3-8.9 QD1 ILE 15 - H GLN 83 far 0 81 0 - 7.9-10.2 Violated in 19 structures by 0.16 A. Peak 524 from nnoeabs.peaks (8.44, 8.21, 124.45 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 83 + H ASP 84 OK 100 100 100 100 3.9-4.3 4.5=100 H ASN 10 - H ASP 84 far 5 100 5 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 525 from nnoeabs.peaks (5.26, 8.21, 124.45 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.94: * HA GLN 83 + H ASP 84 OK 94 100 100 94 2.1-2.2 3.6=77, 3.9/528=31...(11) HA LEU 81 - H ASP 84 far 0 94 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 527 from nnoeabs.peaks (1.42, 8.21, 124.45 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + H ASP 84 OK 100 100 100 100 3.8-4.5 4.4=100 QB ALA 113 + H ASP 84 OK 80 92 100 87 4.9-6.1 5596/525=32...(10) HG3 LYS 106 - H ASP 84 far 3 65 5 - 6.0-8.2 Violated in 0 structures by 0.00 A. Peak 528 from nnoeabs.peaks (2.34, 8.21, 124.45 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.98: * HG2 GLN 83 + H ASP 84 OK 98 100 100 98 2.6-3.4 3.9/525=60, 7731=58...(10) HG2 GLU 112 - H ASP 84 far 0 100 0 - 7.2-11.1 HG3 GLU 112 - H ASP 84 far 0 100 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 529 from nnoeabs.peaks (2.12, 8.21, 124.45 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + H ASP 84 OK 99 100 100 99 3.5-4.9 1.8/528=82, 3.9/525=65...(11) HB VAL 107 + H ASP 84 OK 51 100 55 92 5.2-6.4 2.1/10021=62...(6) Violated in 7 structures by 0.03 A. Peak 530 from nnoeabs.peaks (7.20, 8.21, 124.45 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 83 + H ASP 84 OK 100 100 100 100 3.0-5.6 3.5/528=95, 5.9/525=75...(14) HE22 GLN 83 + H ASP 84 OK 100 100 100 100 4.3-6.9 3.5/528=95, 5.9/525=75...(13) Violated in 0 structures by 0.00 A. Peak 532 from nnoeabs.peaks (8.21, 8.62, 120.20 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + H GLN 85 OK 100 100 100 100 4.2-4.4 4.6=100 H GLU 89 - H GLN 85 far 0 73 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 533 from nnoeabs.peaks (4.50, 8.62, 120.20 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.93: * HA ASP 84 + H GLN 85 OK 93 100 100 93 2.1-2.3 7733=79, 3.0/534=28...(5) Violated in 0 structures by 0.00 A. Peak 534 from nnoeabs.peaks (2.59, 8.62, 120.20 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + H GLN 85 OK 100 100 100 100 2.9-4.2 3.0/533=85, 4.6=84...(5) Violated in 0 structures by 0.00 A. Peak 535 from nnoeabs.peaks (2.66, 8.62, 120.20 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 84 + H GLN 85 OK 100 100 100 100 2.9-4.4 4.6=90, 3.0/533=87...(6) HB3 ASP 110 - H GLN 85 far 0 70 0 - 8.6-12.0 HE3 LYS 61 - H GLN 85 far 0 92 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 536 from nnoeabs.peaks (8.62, 8.69, 120.51 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 85 + H ASP 86 OK 100 100 100 100 2.3-3.1 1928=98, 3.0/537=50...(11) H THR 108 - H ASP 86 far 0 84 0 - 7.5-8.9 H LYS 94 - H ASP 86 far 0 90 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 537 from nnoeabs.peaks (4.33, 8.69, 120.51 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 85 + H ASP 86 OK 100 100 100 100 3.2-3.6 3.6=94, 3.0/536=57...(7) Violated in 2 structures by 0.00 A. Peak 538 from nnoeabs.peaks (2.17, 8.69, 120.51 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 85 + H ASP 86 OK 100 100 100 100 2.8-3.9 7737=100, 3.0/537=72...(7) Violated in 0 structures by 0.00 A. Peak 539 from nnoeabs.peaks (2.04, 8.69, 120.51 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 85 + H ASP 86 OK 100 100 100 100 2.1-4.5 1.8/7737=77, 7738=72...(9) HB2 GLU 89 + H ASP 86 OK 44 100 90 49 3.9-7.1 7738=28, 9309/1570=17...(4) HB3 GLU 89 - H ASP 86 far 0 100 0 - 5.5-7.0 HB3 GLU 87 - H ASP 86 far 0 100 0 - 5.7-7.2 HB2 GLU 92 - H ASP 86 far 0 84 0 - 9.1-11.9 Violated in 4 structures by 0.01 A. Peak 540 from nnoeabs.peaks (2.41, 8.69, 120.51 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 85 + H ASP 86 OK 99 100 100 99 4.1-5.3 3.0/7737=75, 3.9/537=64...(6) HG3 GLN 85 + H ASP 86 OK 99 100 100 99 3.1-5.5 3.0/7737=75, 3.9/537=64...(7) HG2 GLU 91 - H ASP 86 far 0 92 0 - 8.5-10.7 Violated in 17 structures by 0.12 A. Peak 541 from nnoeabs.peaks (2.40, 8.69, 120.51 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 85 + H ASP 86 OK 99 100 100 99 3.1-5.5 3.0/7737=75, 3.9/537=64...(7) HG2 GLN 85 + H ASP 86 OK 99 100 100 99 4.1-5.3 3.0/7737=75, 3.9/537=64...(6) HG2 GLU 91 - H ASP 86 far 0 87 0 - 8.5-10.7 Violated in 17 structures by 0.12 A. Peak 545 from nnoeabs.peaks (4.68, 8.64, 123.60 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.95: * HA ASP 86 + H GLU 87 OK 95 100 100 95 2.1-2.4 7741=86, 3.0/7743=27...(5) Violated in 0 structures by 0.00 A. Peak 546 from nnoeabs.peaks (2.93, 8.64, 123.60 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 86 + H GLU 87 OK 100 100 100 100 2.4-4.4 7742=100, 3.0/545=88...(9) HE3 LYS 94 - H GLU 87 far 0 92 0 - 8.6-12.8 Violated in 2 structures by 0.00 A. Peak 547 from nnoeabs.peaks (2.57, 8.64, 123.60 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 86 + H GLU 87 OK 100 100 100 100 3.4-4.3 7743=100, 3.0/545=86...(5) Violated in 1 structures by 0.00 A. Peak 548 from nnoeabs.peaks (8.64, 8.53, 118.84 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.97: * H GLU 87 + H ASN 88 OK 97 100 100 97 2.1-2.7 1930=70, 1574/550=44...(7) Violated in 0 structures by 0.00 A. Peak 549 from nnoeabs.peaks (4.04, 8.53, 118.84 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 87 + H ASN 88 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 92 - H ASN 88 far 0 100 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 550 from nnoeabs.peaks (2.09, 8.53, 118.84 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.98: * HB2 GLU 87 + H ASN 88 OK 98 100 100 98 2.8-3.9 5704/3.6=63, 1.8/551=63...(6) HB3 GLU 92 - H ASN 88 far 0 84 0 - 7.0-9.9 Violated in 8 structures by 0.04 A. Peak 551 from nnoeabs.peaks (2.04, 8.53, 118.84 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.98: * HB3 GLU 87 + H ASN 88 OK 98 100 100 98 2.3-4.1 1.8/550=71, 7746=64...(8) HB2 GLU 89 + H ASN 88 OK 21 100 30 71 5.0-6.6 4.0/1931=44, 4.7/2129=23...(5) HB3 GLU 89 - H ASN 88 far 0 100 0 - 5.3-6.6 HB2 GLU 92 - H ASN 88 far 0 84 0 - 6.4-10.2 HB3 GLN 85 - H ASN 88 far 0 100 0 - 8.1-10.1 Violated in 14 structures by 0.13 A. Peak 552 from nnoeabs.peaks (2.29, 8.53, 118.84 ppm; 3.98 A): 4 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + H ASN 88 OK 98 100 100 98 1.8-4.1 3.0/550=63, 3.0/7746=54...(9) * HG2 GLU 87 + H ASN 88 OK 98 100 100 98 1.9-4.0 3.0/550=63, 3.0/7746=54...(9) HG3 GLU 91 + H ASN 88 OK 53 96 70 80 4.4-8.0 ~8174=28, ~8172=28...(8) HG3 GLU 89 + H ASN 88 OK 44 73 95 63 4.2-5.8 5769/1931=38...(5) Violated in 0 structures by 0.00 A. Peak 553 from nnoeabs.peaks (2.29, 8.53, 118.84 ppm; 3.98 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 87 + H ASN 88 OK 98 100 100 98 1.8-4.1 3.0/550=63, 3.0/7746=54...(9) HG2 GLU 87 + H ASN 88 OK 98 100 100 98 1.9-4.0 3.0/550=63, 3.0/7746=54...(9) HG3 GLU 91 + H ASN 88 OK 53 96 70 80 4.4-8.0 ~8174=28, ~8172=28...(8) HG3 GLU 89 + H ASN 88 OK 44 73 95 63 4.2-5.8 5769/1931=38...(5) Violated in 0 structures by 0.00 A. Peak 554 from nnoeabs.peaks (8.53, 8.22, 120.95 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + H GLU 89 OK 100 100 100 100 2.6-3.1 1931=100, 1581/557=53...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 556 from nnoeabs.peaks (2.85, 8.22, 120.95 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 88 + H GLU 89 OK 100 100 100 100 2.8-4.0 4.2=89, 1.8/557=81...(7) Violated in 0 structures by 0.00 A. Peak 557 from nnoeabs.peaks (2.90, 8.22, 120.95 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASN 88 + H GLU 89 OK 99 100 100 99 2.2-2.9 4.2=76, 1.8/556=69...(8) HE3 LYS 94 - H GLU 89 far 0 87 0 - 8.3-12.6 Violated in 0 structures by 0.00 A. Peak 560 from nnoeabs.peaks (8.22, 8.05, 119.58 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 89 + H LEU 90 OK 100 100 100 100 2.3-2.8 1932=100, 3.0/7752=70...(13) H ASP 84 - H LEU 90 far 0 73 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 562 from nnoeabs.peaks (2.04, 8.05, 119.58 ppm; 3.97 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 89 + H LEU 90 OK 99 100 100 99 2.2-4.0 3.0/7752=70, 4.7=62...(9) HB3 GLU 89 + H LEU 90 OK 99 100 100 99 3.3-4.0 3.0/7752=70, 4.7=62...(7) HB2 GLU 92 + H LEU 90 OK 35 84 65 64 4.8-7.2 8180/7752=48...(5) HB3 GLU 87 - H LEU 90 poor 19 100 25 75 5.2-6.0 3.0/8164=51...(5) HB3 GLN 85 - H LEU 90 far 0 100 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 563 from nnoeabs.peaks (2.04, 8.05, 119.58 ppm; 3.97 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + H LEU 90 OK 99 100 100 99 2.2-4.0 3.0/7752=70, 4.7=62...(9) * HB3 GLU 89 + H LEU 90 OK 99 100 100 99 3.3-4.0 3.0/7752=70, 4.7=62...(7) HB2 GLU 92 + H LEU 90 OK 35 84 65 64 4.8-7.2 8180/7752=48...(5) HB3 GLU 87 - H LEU 90 poor 19 100 25 75 5.2-6.0 3.0/8164=51...(5) HB3 GLN 85 - H LEU 90 far 0 100 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 564 from nnoeabs.peaks (2.26, 8.05, 119.58 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 89 + H LEU 90 OK 100 100 100 100 2.6-4.9 3.8/7752=98, 1.8/7756=87...(6) HG3 GLU 92 + H LEU 90 OK 85 100 100 85 5.0-6.8 5764/7752=46...(6) Violated in 0 structures by 0.00 A. Peak 565 from nnoeabs.peaks (2.31, 8.05, 119.58 ppm; 6.20 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 89 + H LEU 90 OK 100 100 100 100 2.0-4.5 3.8/7752=98...(7) HG2 GLU 92 + H LEU 90 OK 76 99 95 81 5.0-7.8 5770/7752=48, 1.8/564=39...(6) HG3 GLU 87 + H LEU 90 OK 71 73 100 97 5.2-7.1 4.0/8164=86, 5.0/2129=65...(5) HG2 GLU 87 + H LEU 90 OK 71 73 100 97 5.4-6.5 4.0/8164=86, 5.0/2129=65...(5) Violated in 0 structures by 0.00 A. Peak 566 from nnoeabs.peaks (8.05, 7.94, 119.03 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.96: * H LEU 90 + H GLU 91 OK 96 100 100 96 2.7-3.1 1933=54, 1592/568=36...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 568 from nnoeabs.peaks (1.78, 7.94, 119.03 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LEU 90 + H GLU 91 OK 99 100 100 99 2.3-3.3 1.8/569=58, 4.6=50...(8) Violated in 0 structures by 0.00 A. Peak 569 from nnoeabs.peaks (1.72, 7.94, 119.03 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 90 + H GLU 91 OK 99 100 100 99 1.9-4.1 1.8/568=78, 4.6=56...(8) HB3 LYS 94 - H GLU 91 poor 19 84 25 90 4.5-6.2 8195/2.9=39, 1.8/1600=34...(11) HB3 LYS 106 - H GLU 91 far 14 96 15 - 5.1-7.0 HB2 LYS 106 - H GLU 91 far 0 98 0 - 5.4-7.7 HB3 LEU 82 - H GLU 91 far 0 81 0 - 7.4-10.4 Violated in 8 structures by 0.08 A. Peak 570 from nnoeabs.peaks (1.64, 7.94, 119.03 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 90 + H GLU 91 OK 100 100 100 100 3.2-4.6 3.0/568=76, 2.1/571=75...(10) HB2 LEU 82 - H GLU 91 far 0 65 0 - 7.6-10.3 Violated in 10 structures by 0.06 A. Peak 571 from nnoeabs.peaks (0.90, 7.94, 119.03 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + H GLU 91 OK 100 100 100 100 2.9-4.6 4.6=85, 5805/568=72...(12) QG2 VAL 104 - H GLU 91 far 0 61 0 - 6.8-8.7 Violated in 7 structures by 0.04 A. Peak 572 from nnoeabs.peaks (0.88, 7.94, 119.03 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 90 + H GLU 91 OK 100 100 100 100 4.3-4.6 4.6=85, 3.1/568=72...(11) QG2 VAL 104 - H GLU 91 far 0 100 0 - 6.8-8.7 QG2 VAL 107 - H GLU 91 far 0 81 0 - 9.6-11.2 Violated in 20 structures by 0.19 A. Peak 573 from nnoeabs.peaks (7.94, 8.09, 118.67 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + H GLU 92 OK 100 100 100 100 2.7-3.0 1934=100, 2.9/574=61...(11) Violated in 0 structures by 0.00 A. Peak 574 from nnoeabs.peaks (4.07, 8.09, 118.67 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + H GLU 92 OK 100 100 100 100 3.5-3.6 3.6=87, 2.9/1934=58...(15) HA LYS 96 - H GLU 92 far 0 96 0 - 8.6-9.4 Violated in 20 structures by 0.15 A. Peak 575 from nnoeabs.peaks (2.13, 8.09, 118.67 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.99: * HB2 GLU 91 + H GLU 92 OK 98 100 100 98 2.2-2.9 7764=68, 1.8/7765=58...(13) HB3 GLU 92 + H GLU 92 OK 63 65 100 97 2.2-3.6 4.0=45, 3.0/1608=39...(18) Violated in 0 structures by 0.00 A. Peak 576 from nnoeabs.peaks (2.07, 8.09, 118.67 ppm; 3.07 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + H GLU 92 OK 98 100 100 98 2.9-3.6 7765=71, 1.8/7764=57...(11) HB2 GLU 92 + H GLU 92 OK 72 73 100 98 2.2-3.6 4.0=45, 1.8/1606=43...(22) HB2 LYS 94 + H GLU 92 OK 29 100 55 53 4.4-6.7 8194/574=27...(5) HB3 GLU 98 - H GLU 92 far 0 73 0 - 8.6-10.3 Violated in 3 structures by 0.01 A. 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 2 assignments used, quality = 1.00: * HA GLU 92 + H PHE 93 OK 100 100 100 100 3.6-3.6 3.6=100 HA GLU 87 - H PHE 93 far 0 100 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 581 from nnoeabs.peaks (2.05, 8.10, 120.12 ppm; 2.93 A): 1 out of 7 assignments used, quality = 0.93: * HB2 GLU 92 + H PHE 93 OK 93 100 100 93 2.1-3.7 1.8/582=62, 7769=41...(9) HB2 LYS 94 - H PHE 93 far 3 70 5 - 4.4-6.4 HB3 GLU 89 - H PHE 93 far 0 84 0 - 4.5-7.3 HB2 GLU 89 - H PHE 93 far 0 84 0 - 5.3-6.7 HB3 GLU 91 - H PHE 93 far 0 73 0 - 5.5-6.1 HB3 GLU 98 - H PHE 93 far 0 100 0 - 7.9-9.3 HB3 GLU 87 - H PHE 93 far 0 84 0 - 9.3-10.6 Violated in 7 structures by 0.11 A. Peak 582 from nnoeabs.peaks (2.11, 8.10, 120.12 ppm; 3.09 A): 1 out of 3 assignments used, quality = 0.96: * HB3 GLU 92 + H PHE 93 OK 96 100 100 96 2.2-3.4 1.8/581=73, 7770=51...(8) HB2 GLU 91 - H PHE 93 far 0 65 0 - 5.2-5.6 HB2 GLU 87 - H PHE 93 far 0 84 0 - 8.7-10.3 Violated in 9 structures by 0.06 A. Peak 583 from nnoeabs.peaks (2.32, 8.10, 120.12 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 92 + H PHE 93 OK 100 100 100 100 1.9-4.7 5868/582=88, 3.0/581=86...(8) HG3 GLU 89 - H PHE 93 far 0 99 0 - 6.3-8.4 Violated in 18 structures by 0.24 A. Peak 584 from nnoeabs.peaks (2.27, 8.10, 120.12 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 92 + H PHE 93 OK 100 100 100 100 2.0-4.6 5858/581=94, 5864/582=90...(8) HG2 GLU 89 - H PHE 93 far 0 100 0 - 6.1-8.1 Violated in 5 structures by 0.04 A. Peak 585 from nnoeabs.peaks (8.10, 8.61, 118.94 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 93 + H LYS 94 OK 100 100 100 100 2.5-2.9 1936=98, 1612/588=43...(9) H GLU 92 + H LYS 94 OK 56 77 100 73 3.9-4.3 3.6/2154=34, 4.6/1936=30...(8) H SER 99 - H LYS 94 far 0 99 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 586 from nnoeabs.peaks (4.34, 8.61, 118.94 ppm; 5.25 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H LYS 94 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 98 - H LYS 94 far 0 99 0 - 7.4-8.9 HA SER 99 - H LYS 94 far 0 100 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 587 from nnoeabs.peaks (3.29, 8.61, 118.94 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 93 + H LYS 94 OK 99 100 100 99 2.5-4.1 1.8/588=83, 4.3=79...(9) Violated in 5 structures by 0.02 A. Peak 588 from nnoeabs.peaks (3.04, 8.61, 118.94 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.97: * HB3 PHE 93 + H LYS 94 OK 97 100 100 97 2.5-3.7 1.8/587=65, 4.3=61...(13) HE2 LYS 94 - H LYS 94 far 7 70 10 - 4.6-7.1 Violated in 1 structures by 0.00 A. 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 100 100 100 100 3.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 593 from nnoeabs.peaks (8.61, 8.16, 117.19 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H ARG 95 OK 100 100 100 100 2.6-3.1 1937=100, 1620/596=45...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 595 from nnoeabs.peaks (2.07, 8.16, 117.19 ppm; 3.53 A): 3 out of 4 assignments used, quality = 0.99: * HB2 LYS 94 + H ARG 95 OK 98 100 100 98 2.4-3.8 1.8/596=61, 4.4=52...(10) HB3 GLU 91 + H ARG 95 OK 51 100 100 51 4.2-4.9 5830/8197=33...(5) HB3 GLU 98 + H ARG 95 OK 48 70 90 77 3.6-5.3 ~8219=32, ~8220=31...(8) HB2 GLU 92 - H ARG 95 far 0 70 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 596 from nnoeabs.peaks (1.74, 8.16, 117.19 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LYS 94 + H ARG 95 OK 99 100 100 99 2.0-4.0 4.4=72, 1620/1937=62...(11) HB3 LEU 90 - H ARG 95 far 0 84 0 - 7.0-9.0 HB2 LYS 106 - H ARG 95 far 0 61 0 - 8.4-10.4 HB3 LEU 82 - H ARG 95 far 0 100 0 - 8.6-10.8 HB2 LEU 80 - H ARG 95 far 0 65 0 - 9.1-10.7 Violated in 2 structures by 0.01 A. Peak 597 from nnoeabs.peaks (1.37, 8.16, 117.19 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + H ARG 95 OK 100 100 100 100 2.0-4.8 1.8/598=80, 3.0/596=78...(11) Violated in 5 structures by 0.01 A. Peak 598 from nnoeabs.peaks (1.32, 8.16, 117.19 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + H ARG 95 OK 100 100 100 100 2.7-4.8 1.8/597=78, 3.0/596=78...(10) Violated in 9 structures by 0.02 A. Peak 599 from nnoeabs.peaks (1.54, 8.16, 117.19 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 94 + H ARG 95 OK 100 100 100 100 3.4-6.0 3.6/596=80, 3.0/598=78...(10) HD3 LYS 94 + H ARG 95 OK 100 100 100 100 3.9-6.1 3.6/596=80, 3.0/598=78...(9) Violated in 0 structures by 0.00 A. Peak 600 from nnoeabs.peaks (1.54, 8.16, 117.19 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 94 + H ARG 95 OK 100 100 100 100 3.4-6.0 3.6/596=80, 3.0/598=78...(10) * HD3 LYS 94 + H ARG 95 OK 100 100 100 100 3.9-6.1 3.6/596=80, 3.0/598=78...(9) Violated in 0 structures by 0.00 A. Peak 603 from nnoeabs.peaks (8.16, 7.79, 119.58 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + H LYS 96 OK 100 100 100 100 2.7-2.9 1938=100, 1631/607=60...(17) Violated in 0 structures by 0.00 A. Peak 604 from nnoeabs.peaks (4.15, 7.79, 119.58 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 95 + H LYS 96 OK 100 100 100 100 3.4-3.5 3.6=100 HA GLU 89 - H LYS 96 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 605 from nnoeabs.peaks (1.90, 7.79, 119.58 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 96 + H LYS 96 OK 99 99 100 100 2.7-3.5 1.8/6091=77, 6081=61...(21) * HB2 ARG 95 + H LYS 96 OK 97 100 100 97 2.6-4.2 1629/1938=52...(13) Violated in 0 structures by 0.00 A. Peak 606 from nnoeabs.peaks (1.97, 7.79, 119.58 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 96 + H LYS 96 OK 100 100 100 100 2.1-3.6 6091=100, 7797/1939=54...(25) * HB3 ARG 95 + H LYS 96 OK 96 100 100 96 3.2-4.3 6035/607=54, 7790=46...(12) Violated in 4 structures by 0.01 A. Peak 607 from nnoeabs.peaks (1.88, 7.79, 119.58 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.99: * HG2 ARG 95 + H LYS 96 OK 99 100 100 99 2.1-3.9 1631/1938=55...(16) Violated in 17 structures by 0.19 A. Peak 608 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.55 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + H LYS 96 OK 100 100 100 100 2.3-4.8 1.8/607=97, 7792=84...(12) HD2 LYS 96 + H LYS 96 OK 99 99 100 100 2.2-3.6 3.4/6091=80, 3.0/1640=71...(35) HD3 LYS 96 + H LYS 96 OK 97 97 100 100 2.2-3.9 3.4/6091=80, 3.0/1640=71...(35) Violated in 0 structures by 0.00 A. Peak 611 from nnoeabs.peaks (7.79, 7.83, 118.55 ppm; 2.83 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 96 + H ILE 97 OK 99 100 100 99 2.7-3.1 1939=91, 6091/7797=37...(11) H LYS 40 + H LYS 39 OK 85 86 100 99 2.9-3.1 218=96, 7473/4.0=17...(12) H GLU 66 - H LYS 39 far 0 58 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 612 from nnoeabs.peaks (4.07, 7.83, 118.55 ppm; 4.17 A): 3 out of 6 assignments used, quality = 1.00: * HA LYS 96 + H ILE 97 OK 100 100 100 100 3.6-3.6 3.6=100 HA GLU 37 + H LYS 39 OK 86 88 100 98 4.1-4.6 2040/218=81, 3.6/1883=62...(8) HA SER 35 + H LYS 39 OK 48 51 100 95 3.6-4.0 8033=29, 3.6/9348=28...(18) HA GLU 91 - H ILE 97 far 0 96 0 - 7.7-8.2 HA LYS 44 - H LYS 39 far 0 90 0 - 9.1-9.6 HA GLU 69 - H ILE 97 far 0 92 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 613 from nnoeabs.peaks (1.90, 7.83, 118.55 ppm; 3.48 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 96 + H ILE 97 OK 100 100 100 100 2.1-2.6 7796=100, 1.8/7797=80...(9) HB2 ARG 95 - H ILE 97 far 0 99 0 - 5.4-6.5 HB2 LYS 43 - H LYS 39 far 0 88 0 - 6.1-6.9 HB3 LYS 44 - H LYS 39 far 0 89 0 - 7.4-10.1 HB2 LYS 44 - H LYS 39 far 0 80 0 - 7.5-10.1 HB3 LYS 43 - H LYS 39 far 0 92 0 - 7.7-8.5 HG LEU 45 - H LYS 39 far 0 51 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 614 from nnoeabs.peaks (1.97, 7.83, 118.55 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 96 + H ILE 97 OK 100 100 100 100 2.5-3.4 7797=100, 1.8/7796=68...(10) HB2 LYS 40 - H LYS 39 far 0 51 0 - 5.1-5.5 HB3 ARG 95 - H ILE 97 far 0 100 0 - 5.7-6.7 Violated in 5 structures by 0.01 A. Peak 615 from nnoeabs.peaks (1.44, 7.83, 118.55 ppm; 3.95 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 96 + H ILE 97 OK 100 100 100 100 4.5-4.7 2.9/7797=74, 2.9/7796=70...(11) HG2 LYS 39 + H LYS 39 OK 58 58 100 100 2.0-4.4 1.8/3598=74, 4.9=52...(22) HG LEU 80 - H ILE 97 far 15 100 15 - 5.3-8.2 HB3 LEU 63 - H LYS 39 far 0 68 0 - 6.7-8.3 HG3 LYS 44 - H LYS 39 far 0 91 0 - 7.1-9.7 HB3 LYS 61 - H ILE 97 far 0 96 0 - 8.6-11.2 HG12 ILE 56 - H LYS 39 far 0 72 0 - 9.0-11.6 HG3 ARG 30 - H LYS 39 far 0 75 0 - 9.7-13.5 HB3 LEU 6 - H ILE 97 far 0 65 0 - 9.7-10.7 Violated in 3 structures by 0.01 A. Peak 616 from nnoeabs.peaks (1.57, 7.83, 118.55 ppm; 5.55 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 96 + H ILE 97 OK 100 100 100 100 3.8-4.7 5.0=100 HD2 LYS 106 - H ILE 97 far 5 94 5 - 6.9-12.9 HG2 LYS 44 - H LYS 39 far 0 75 0 - 7.4-8.9 HB3 LEU 70 - H LYS 39 far 0 92 0 - 7.7-9.4 HG LEU 68 - H ILE 97 far 0 65 0 - 8.3-9.4 HD3 LYS 106 - H ILE 97 far 0 96 0 - 8.4-13.0 Violated in 0 structures by 0.00 A. Peak 617 from nnoeabs.peaks (1.68, 7.83, 118.55 ppm; 3.59 A): 3 out of 9 assignments used, quality = 0.98: * HD2 LYS 96 + H ILE 97 OK 93 100 95 98 4.5-5.1 3.4/7797=54, 3.4/7796=52...(9) HG3 LYS 39 + H LYS 39 OK 54 55 100 99 1.9-3.9 1.8/3588=54, 2.9/3568=41...(19) HD3 LYS 96 + H ILE 97 OK 49 100 50 98 4.8-5.5 3.4/7797=54, 3.4/7796=52...(9) HD3 LYS 40 - H LYS 39 poor 10 92 25 45 4.5-7.2 1256/218=23, 2771/3.0=8...(10) HD2 LYS 40 - H LYS 39 far 9 92 10 - 4.1-7.5 HG3 ARG 95 - H ILE 97 far 0 99 0 - 5.3-7.6 HD3 LYS 43 - H LYS 39 far 0 91 0 - 7.8-9.5 HD2 LYS 43 - H LYS 39 far 0 91 0 - 8.1-9.5 HG12 ILE 71 - H LYS 39 far 0 72 0 - 9.6-12.4 Violated in 4 structures by 0.01 A. Peak 618 from nnoeabs.peaks (1.68, 7.83, 118.55 ppm; 3.59 A): 3 out of 10 assignments used, quality = 0.99: HD2 LYS 96 + H ILE 97 OK 93 100 95 98 4.5-5.1 3.4/7797=54, 3.4/7796=52...(9) HG3 LYS 39 + H LYS 39 OK 61 62 100 99 1.9-3.9 1.8/3588=54, 3598=48...(19) * HD3 LYS 96 + H ILE 97 OK 49 100 50 98 4.8-5.5 3.4/7797=54, 3.4/7796=52...(9) HD3 LYS 40 - H LYS 39 poor 10 91 25 45 4.5-7.2 1256/218=23, 2771/3.0=8...(10) HD2 LYS 40 - H LYS 39 far 9 92 10 - 4.1-7.5 HG3 ARG 95 - H ILE 97 far 0 97 0 - 5.3-7.6 HD2 LYS 44 - H LYS 39 far 0 55 0 - 7.4-10.9 HD3 LYS 43 - H LYS 39 far 0 92 0 - 7.8-9.5 HD2 LYS 43 - H LYS 39 far 0 90 0 - 8.1-9.5 HG12 ILE 71 - H LYS 39 far 0 77 0 - 9.6-12.4 Violated in 4 structures by 0.01 A. Peak 621 from nnoeabs.peaks (7.83, 8.67, 121.98 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 97 + H GLU 98 OK 99 100 100 99 2.3-3.0 1940=91, 1647/623=42...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 623 from nnoeabs.peaks (1.81, 8.67, 121.98 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.99: * HB ILE 97 + H GLU 98 OK 99 100 100 99 2.3-3.2 4.4=69, 1647/621=58...(11) HB3 ARG 105 - H GLU 98 far 0 96 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.1 4.1=100 Violated in 0 structures by 0.00 A. Peak 625 from nnoeabs.peaks (1.00, 8.67, 121.98 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + H GLU 98 OK 100 100 100 100 4.1-5.5 2.9/623=98, 1649/621=94...(9) Violated in 0 structures by 0.00 A. Peak 626 from nnoeabs.peaks (0.93, 8.67, 121.98 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 104 + H GLU 98 OK 99 99 100 100 2.4-4.7 2.1/11510=70...(15) * HG13 ILE 97 + H GLU 98 OK 97 100 100 97 3.9-5.2 2.9/623=65, 6189/621=56...(9) Violated in 1 structures by 0.00 A. Peak 627 from nnoeabs.peaks (0.36, 8.67, 121.98 ppm; 6.01 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + H GLU 98 OK 100 100 100 100 3.9-5.0 3.2/623=96, 6197/3.6=95...(14) Violated in 0 structures by 0.00 A. Peak 628 from nnoeabs.peaks (8.67, 8.10, 115.50 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + H SER 99 OK 100 100 100 100 2.5-3.0 1941=89, 6215/7812=59...(10) H VAL 104 - H SER 99 far 0 61 0 - 6.3-7.8 Violated in 0 structures by 0.00 A. Peak 629 from nnoeabs.peaks (4.34, 8.10, 115.50 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 98 + H SER 99 OK 99 100 100 99 3.5-3.6 3.6=79, 2.9/7812=53...(11) HA SER 99 + H SER 99 OK 97 97 100 100 2.7-2.9 2.9=100 HA PHE 93 - H SER 99 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 630 from nnoeabs.peaks (2.18, 8.10, 115.50 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 98 + H SER 99 OK 100 100 100 100 2.3-4.1 1.8/7812=92, 4.3=79...(9) Violated in 3 structures by 0.01 A. Peak 631 from nnoeabs.peaks (2.05, 8.10, 115.50 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 98 + H SER 99 OK 100 100 100 100 2.6-3.5 7812=100, 1.8/630=78...(12) HB3 GLN 100 + H SER 99 OK 30 99 45 68 4.2-6.5 4.0/1942=47, 3.0/633=17...(6) HB2 LYS 94 - H SER 99 far 0 70 0 - 6.4-8.2 HB3 GLU 91 - H SER 99 far 0 73 0 - 9.5-10.2 HB2 GLU 92 - H SER 99 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 632 from nnoeabs.peaks (2.38, 8.10, 115.50 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + H SER 99 OK 100 100 100 100 2.6-4.9 4.9=90, 6224/7812=90...(8) Violated in 9 structures by 0.03 A. Peak 633 from nnoeabs.peaks (2.44, 8.10, 115.50 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 98 + H SER 99 OK 100 100 100 100 4.0-5.1 4.9=100 HG2 GLN 100 + H SER 99 OK 61 99 75 82 3.9-7.5 6269/1942=62, 3.0/631=19...(7) HG3 GLU 69 - H SER 99 far 0 100 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 634 from nnoeabs.peaks (8.10, 7.62, 119.30 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.99: * H SER 99 + H GLN 100 OK 98 100 100 98 2.3-2.9 1942=92, 7812/1665=25...(9) H ALA 113 + H LYS 115 OK 31 34 100 92 3.6-4.2 3.6/8244=52, 4.6/1957=44...(16) Violated in 0 structures by 0.00 A. Peak 635 from nnoeabs.peaks (4.34, 7.62, 119.30 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * HA SER 99 + H GLN 100 OK 100 100 100 100 3.4-3.5 3.6=100 HA GLU 98 + H GLN 100 OK 75 97 100 77 3.7-4.2 3.6/1942=52, 2.9/1665=28...(5) HA PHE 93 - H GLN 100 far 0 100 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 638 from nnoeabs.peaks (7.62, 7.95, 105.77 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.90: * H GLN 100 + H GLY 101 OK 90 100 100 90 2.8-3.1 3.0/639=49, 1943=49...(9) H GLU 69 - H GLY 101 far 0 99 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 639 from nnoeabs.peaks (4.31, 7.95, 105.77 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 100 + H GLY 101 OK 100 100 100 100 3.6-3.6 3.6=100 HA LYS 73 - H GLY 101 far 0 61 0 - 9.6-12.5 Violated in 14 structures by 0.00 A. Peak 641 from nnoeabs.peaks (2.05, 7.95, 105.77 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 100 + H GLY 101 OK 100 100 100 100 1.9-3.2 4.4=100 HB3 GLU 98 + H GLY 101 OK 70 99 95 75 6.0-6.9 2.9/10159=55...(3) Violated in 0 structures by 0.00 A. Peak 642 from nnoeabs.peaks (2.44, 7.95, 105.77 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 100 + H GLY 101 OK 100 100 100 100 3.9-4.7 6270/639=88, 6269/638=81...(6) HG3 GLU 98 - H GLY 101 poor 16 99 25 65 5.9-8.2 6208/10159=49, 6230/641=30 HG3 GLU 69 - H GLY 101 far 0 99 0 - 7.0-11.6 Violated in 0 structures by 0.00 A. Peak 643 from nnoeabs.peaks (2.35, 7.95, 105.77 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + H GLY 101 OK 100 100 100 100 3.8-4.7 6266/4.4=98, 6278/639=97...(6) Violated in 0 structures by 0.00 A. Peak 646 from nnoeabs.peaks (7.95, 6.89, 117.99 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + H TYR 102 OK 100 100 100 100 1.8-2.3 1944=100, 10159/10166=25 Violated in 0 structures by 0.00 A. Peak 647 from nnoeabs.peaks (3.72, 6.89, 117.99 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 101 + H TYR 102 OK 100 100 100 100 2.8-3.6 3.6=100 HA ILE 71 - H TYR 102 far 0 77 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 648 from nnoeabs.peaks (4.01, 6.89, 117.99 ppm; 5.81 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 101 + H TYR 102 OK 100 100 100 100 2.7-3.5 3.6=100 HB3 SER 99 - H TYR 102 far 8 84 10 - 6.8-8.3 HB2 SER 99 - H TYR 102 far 8 84 10 - 7.1-9.0 HA3 GLY 75 - H TYR 102 far 0 100 0 - 8.4-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 650 from nnoeabs.peaks (4.67, 8.32, 122.86 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.96: * HA TYR 102 + H GLU 103 OK 96 100 100 96 2.2-2.3 3.6=90, 3.0/652=44, 4551/4699=32 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.8 4.6=100 Violated in 0 structures by 0.00 A. Peak 652 from nnoeabs.peaks (2.75, 8.32, 122.86 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.97: * HB3 TYR 102 + H GLU 103 OK 97 100 100 97 2.9-3.7 3.0/650=69, 7827=66...(4) Violated in 0 structures by 0.00 A. Peak 656 from nnoeabs.peaks (6.98, 8.32, 122.86 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 102 + H GLU 103 OK 100 100 100 100 4.3-4.7 4.7=100 HZ PHE 79 - H GLU 103 far 0 98 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 658 from nnoeabs.peaks (4.51, 8.65, 124.34 ppm; 2.82 A): 1 out of 1 assignment used, quality = 0.96: * HA GLU 103 + H VAL 104 OK 96 100 100 96 2.1-2.2 7831=81, 3.0/660=33...(9) Violated in 0 structures by 0.00 A. Peak 659 from nnoeabs.peaks (2.09, 8.65, 124.34 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 103 + H VAL 104 OK 100 100 100 100 4.1-4.6 1.8/660=96, 4.7=95...(7) HB2 LYS 94 - H VAL 104 far 7 70 10 - 5.6-8.8 HB3 PHE 79 - H VAL 104 far 0 87 0 - 6.7-8.8 Violated in 1 structures by 0.00 A. Peak 660 from nnoeabs.peaks (1.99, 8.65, 124.34 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.98: * HB3 GLU 103 + H VAL 104 OK 98 100 100 98 3.0-4.0 3.0/658=68, 1.8/659=47...(7) HB3 ARG 95 - H VAL 104 far 0 70 0 - 9.1-10.8 HB3 LYS 96 - H VAL 104 far 0 73 0 - 9.1-11.2 Violated in 10 structures by 0.08 A. Peak 661 from nnoeabs.peaks (2.26, 8.65, 124.34 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 103 + H VAL 104 OK 100 100 100 100 2.7-4.8 1.8/662=88, 3.0/660=85...(5) Violated in 6 structures by 0.01 A. Peak 662 from nnoeabs.peaks (2.32, 8.65, 124.34 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 103 + H VAL 104 OK 100 100 100 100 2.4-4.2 7835=92, 3.0/660=75...(5) Violated in 0 structures by 0.00 A. Peak 664 from nnoeabs.peaks (5.23, 8.71, 124.86 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.93: * HA VAL 104 + H ARG 105 OK 93 100 100 93 2.2-2.3 7836=61, 3.2/667=39...(10) Violated in 0 structures by 0.00 A. Peak 665 from nnoeabs.peaks (1.95, 8.71, 124.86 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 104 + H ARG 105 OK 100 100 100 100 3.9-4.4 4.4=96, 2.1/667=92...(11) Violated in 8 structures by 0.01 A. Peak 666 from nnoeabs.peaks (0.93, 8.71, 124.86 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.99: * QG1 VAL 104 + H ARG 105 OK 99 100 100 99 2.2-3.8 2.1/667=68, 3.2/664=57...(14) HG13 ILE 97 - H ARG 105 far 0 99 0 - 5.3-9.8 Violated in 6 structures by 0.04 A. Peak 667 from nnoeabs.peaks (0.88, 8.71, 124.86 ppm; 3.38 A): 1 out of 5 assignments used, quality = 0.99: * QG2 VAL 104 + H ARG 105 OK 99 100 100 99 1.9-3.4 2.1/666=64, 3.2/664=55...(13) QD1 LEU 90 - H ARG 105 far 0 61 0 - 5.4-8.0 QD2 LEU 90 - H ARG 105 far 0 100 0 - 5.7-7.1 QG2 VAL 117 - H ARG 105 far 0 61 0 - 7.2-8.3 QG2 VAL 107 - H ARG 105 far 0 73 0 - 7.4-8.6 Violated in 9 structures by 0.01 A. 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 100 100 100 100 4.1-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 669 from nnoeabs.peaks (4.92, 8.81, 121.50 ppm; 3.10 A): 1 out of 2 assignments used, quality = 0.98: * HA ARG 105 + H LYS 106 OK 98 100 100 98 2.1-2.3 7840=81, 3.0/670=39...(10) HA LEU 82 - H LYS 106 far 0 99 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 670 from nnoeabs.peaks (1.86, 8.81, 121.50 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 105 + H LYS 106 OK 100 100 100 100 2.8-4.0 4.2=71, 3.0/669=69...(11) HG2 ARG 95 - H LYS 106 far 0 61 0 - 9.3-12.8 Violated in 9 structures by 0.05 A. Peak 671 from nnoeabs.peaks (1.82, 8.81, 121.50 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 105 + H LYS 106 OK 100 100 100 100 3.9-4.5 1.8/670=75, 4.2=72...(10) HG2 ARG 105 + H LYS 106 OK 88 90 100 99 3.9-4.9 1.8/673=74, 3.0/670=58...(7) HB ILE 97 - H LYS 106 far 0 96 0 - 8.3-10.4 Violated in 11 structures by 0.05 A. Peak 672 from nnoeabs.peaks (1.80, 8.81, 121.50 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 105 + H LYS 106 OK 99 100 100 99 3.9-4.9 1.8/673=78, 6415/670=62...(7) HB3 ARG 105 + H LYS 106 OK 89 90 100 100 3.9-4.5 4.2=79, 1.8/670=78...(9) HB ILE 97 - H LYS 106 far 0 100 0 - 8.3-10.4 Violated in 2 structures by 0.02 A. Peak 673 from nnoeabs.peaks (1.75, 8.81, 121.50 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.98: * HG3 ARG 105 + H LYS 106 OK 98 100 100 98 2.2-4.0 3.0/670=58, 4.0/669=52...(8) HB3 LYS 94 - H LYS 106 far 3 70 5 - 4.9-8.5 HB3 LEU 82 - H LYS 106 far 0 73 0 - 5.6-9.0 HB2 LEU 80 - H LYS 106 far 0 100 0 - 7.5-8.9 Violated in 2 structures by 0.02 A. Peak 674 from nnoeabs.peaks (3.52, 8.81, 121.50 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 105 + H LYS 106 OK 100 100 100 100 1.9-4.9 7845=100, 1.8/7846=96...(9) Violated in 0 structures by 0.00 A. Peak 675 from nnoeabs.peaks (3.34, 8.81, 121.50 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + H LYS 106 OK 100 100 100 100 2.2-4.8 7846=100, 3.0/673=84...(9) Violated in 0 structures by 0.00 A. Peak 677 from nnoeabs.peaks (5.58, 8.55, 118.79 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.91: * HA LYS 106 + H VAL 107 OK 91 100 100 91 2.3-2.5 7847=58, 3.9/680=22...(11) Violated in 0 structures by 0.00 A. Peak 678 from nnoeabs.peaks (1.72, 8.55, 118.79 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + H VAL 107 OK 94 100 100 94 2.3-4.1 3.0/677=60, 4.6=38...(10) HB3 LYS 106 + H VAL 107 OK 93 100 100 93 2.3-3.7 3.0/677=60, 4.6=38...(9) HB3 LEU 90 - H VAL 107 poor 20 98 20 - 4.0-7.0 HB3 LYS 94 - H VAL 107 far 0 61 0 - 7.0-10.4 Violated in 0 structures by 0.00 A. Peak 679 from nnoeabs.peaks (1.71, 8.55, 118.79 ppm; 3.36 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 106 + H VAL 107 OK 94 100 100 94 2.3-4.1 3.0/677=60, 4.6=38...(10) * HB3 LYS 106 + H VAL 107 OK 93 100 100 93 2.3-3.7 3.0/677=60, 4.6=38...(9) HB3 LEU 90 - H VAL 107 poor 19 96 20 - 4.0-7.0 Violated in 0 structures by 0.00 A. Peak 680 from nnoeabs.peaks (1.46, 8.55, 118.79 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.99: * HG2 LYS 106 + H VAL 107 OK 99 100 100 99 3.4-4.4 3.9/677=69, 1704/4.6=44...(9) HG LEU 80 - H VAL 107 far 0 61 0 - 8.0-11.3 HG12 ILE 7 - H VAL 107 far 0 100 0 - 9.8-12.9 Violated in 13 structures by 0.06 A. Peak 681 from nnoeabs.peaks (1.40, 8.55, 118.79 ppm; 4.03 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 106 + H VAL 107 OK 99 100 100 99 3.8-5.1 1.8/680=69, 3.9/677=63...(8) QB ALA 113 + H VAL 107 OK 76 96 95 84 4.8-5.8 10898/6545=64...(6) HB3 GLN 83 + H VAL 107 OK 55 65 100 85 4.1-5.3 3.0/10302=64...(6) Violated in 15 structures by 0.10 A. Peak 687 from nnoeabs.peaks (4.62, 8.60, 114.07 ppm; 3.07 A): 1 out of 1 assignment used, quality = 0.98: * HA VAL 107 + H THR 108 OK 98 100 100 98 2.2-2.4 7856=85, 3.2/7858=39...(6) Violated in 0 structures by 0.00 A. Peak 688 from nnoeabs.peaks (2.12, 8.60, 114.07 ppm; 3.56 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 107 + H THR 108 OK 99 100 100 99 3.6-4.1 2.1/7858=69, 7857=64...(9) HG3 GLN 83 + H THR 108 OK 33 100 40 83 4.3-6.5 10001/2.9=31...(8) HB2 GLU 111 - H THR 108 far 0 70 0 - 7.7-9.8 Violated in 12 structures by 0.11 A. Peak 689 from nnoeabs.peaks (0.87, 8.60, 114.07 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 107 + H THR 108 OK 100 100 100 100 1.9-2.4 7858=100, 3.2/687=58...(12) QD2 LEU 90 - H THR 108 far 4 81 5 - 5.0-6.4 QD1 LEU 14 - H THR 108 far 0 94 0 - 7.1-8.3 QG2 VAL 117 - H THR 108 far 0 100 0 - 8.8-9.7 QG2 VAL 104 - H THR 108 far 0 73 0 - 9.2-11.9 QG2 THR 9 - H THR 108 far 0 99 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 690 from nnoeabs.peaks (0.76, 8.60, 114.07 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 107 + H THR 108 OK 100 100 100 100 2.8-4.1 7859=99, 2.1/7858=83...(10) QD2 LEU 14 - H THR 108 far 0 100 0 - 7.1-8.1 QD1 LEU 82 - H THR 108 far 0 77 0 - 7.3-9.8 QG2 ILE 7 - H THR 108 far 0 61 0 - 9.5-10.4 QD1 LEU 80 - H THR 108 far 0 87 0 - 9.7-13.6 Violated in 4 structures by 0.01 A. Peak 691 from nnoeabs.peaks (8.60, 8.04, 122.57 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.98: * H THR 108 + H ASP 109 OK 98 100 100 98 1.9-2.1 1951=79, 2.9/692=42...(9) H GLN 85 - H ASP 109 far 0 84 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 692 from nnoeabs.peaks (4.78, 8.04, 122.57 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.99: * HA THR 108 + H ASP 109 OK 99 100 100 99 3.5-3.5 3.6=86, 2.9/691=60...(7) Violated in 20 structures by 0.12 A. Peak 693 from nnoeabs.peaks (4.22, 8.04, 122.57 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.98: * HB THR 108 + H ASP 109 OK 98 100 100 98 3.4-3.8 7861=68, 2.1/694=58...(7) Violated in 19 structures by 0.20 A. Peak 694 from nnoeabs.peaks (1.25, 8.04, 122.57 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.99: * QG2 THR 108 + H ASP 109 OK 99 100 100 99 2.3-4.1 2.1/693=77, 4.4=67...(6) Violated in 19 structures by 0.15 A. Peak 695 from nnoeabs.peaks (8.04, 8.70, 122.85 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 109 + H ASP 110 OK 100 100 100 100 4.6-4.6 4.6=99, 3.0/696=94...(11) Violated in 0 structures by 0.00 A. Peak 696 from nnoeabs.peaks (4.74, 8.70, 122.85 ppm; 2.77 A): 1 out of 2 assignments used, quality = 0.84: * HA ASP 109 + H ASP 110 OK 84 100 100 84 2.2-2.3 3.6=47, 3.0/698=34...(5) HA THR 9 - H ASP 110 far 0 100 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 697 from nnoeabs.peaks (2.82, 8.70, 122.85 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASP 109 + H ASP 110 OK 99 100 100 99 2.8-4.0 1.8/698=75, 3.0/696=68...(12) Violated in 10 structures by 0.13 A. Peak 698 from nnoeabs.peaks (2.73, 8.70, 122.85 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 109 + H ASP 110 OK 99 100 100 99 2.9-4.0 1.8/697=69, 3.0/696=65...(12) HB3 ASN 11 - H ASP 110 far 0 77 0 - 7.1-8.5 Violated in 16 structures by 0.22 A. Peak 699 from nnoeabs.peaks (8.70, 8.21, 119.14 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + H GLU 111 OK 100 100 100 100 2.4-2.7 1953=100, 1726/7868=52...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 701 from nnoeabs.peaks (2.42, 8.21, 119.14 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 110 + H GLU 111 OK 100 100 100 100 3.3-4.1 7867=100, 1.8/7868=84...(5) HG3 GLN 85 - H GLU 111 far 0 90 0 - 8.9-13.2 HG2 GLN 85 - H GLU 111 far 0 94 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 702 from nnoeabs.peaks (2.68, 8.21, 119.14 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 110 + H GLU 111 OK 100 100 100 100 2.5-4.2 7868=100, 1.8/7867=72...(5) Violated in 7 structures by 0.01 A. Peak 704 from nnoeabs.peaks (3.99, 8.23, 121.40 ppm; 3.24 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 111 + H GLU 112 OK 98 100 100 98 3.5-3.6 3.6=75, 3.0/706=47...(16) HA GLU 112 + H GLU 112 OK 94 94 100 100 2.7-2.9 3.0=100 HA LEU 14 - H GLU 112 far 0 100 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 705 from nnoeabs.peaks (2.10, 8.23, 121.40 ppm; 2.79 A): 3 out of 7 assignments used, quality = 0.99: * HB2 GLU 111 + H GLU 112 OK 91 100 100 91 2.2-3.9 1.8/706=47, 7870=47...(11) HB2 GLU 112 + H GLU 112 OK 68 77 100 89 2.1-2.9 4.0=33, 1.8/6633=21...(19) HB3 GLU 112 + H GLU 112 OK 65 73 100 88 2.3-3.6 4.0=33, 1.8/6627=21...(18) HB VAL 107 - H GLU 112 far 0 70 0 - 5.5-7.2 HG3 GLN 83 - H GLU 112 far 0 65 0 - 5.9-8.9 HG3 GLU 21 - H GLU 112 far 0 99 0 - 8.5-10.7 HG2 GLU 21 - H GLU 112 far 0 97 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 706 from nnoeabs.peaks (2.02, 8.23, 121.40 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLU 111 + H GLU 112 OK 99 100 100 99 2.9-3.6 7871=87, 1.8/7870=67...(10) Violated in 15 structures by 0.06 A. Peak 707 from nnoeabs.peaks (2.29, 8.23, 121.40 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 111 + H GLU 112 OK 100 100 100 100 2.1-4.9 3.0/706=79, 3.0/7870=76...(11) HG3 GLU 111 + H GLU 112 OK 65 65 100 100 1.9-5.2 3.0/706=79, 3.0/7870=76...(11) Violated in 2 structures by 0.00 A. Peak 708 from nnoeabs.peaks (2.27, 8.23, 121.40 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 111 + H GLU 112 OK 100 100 100 100 1.9-5.2 3.0/706=87, 3.0/7870=84...(11) HG2 GLU 111 + H GLU 112 OK 65 65 100 100 2.1-4.9 3.0/706=87, 3.0/7870=84...(11) Violated in 0 structures by 0.00 A. Peak 709 from nnoeabs.peaks (8.23, 8.12, 120.32 ppm; 3.12 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 112 + H ALA 113 OK 98 100 100 98 2.5-3.0 1955=87, 10398/2.9=34...(13) H GLU 112 - H VAL 117 far 0 97 0 - 8.1-8.6 H ILE 15 - H ALA 113 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 710 from nnoeabs.peaks (4.00, 8.12, 120.32 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 112 + H ALA 113 OK 100 100 100 100 3.4-3.6 3.6=100 HA GLU 111 + H ALA 113 OK 86 94 100 92 3.7-4.8 3.6/709=60, 8237/715=46...(12) HA GLU 112 - H VAL 117 far 0 97 0 - 6.3-7.1 HA LEU 14 - H ALA 113 far 0 87 0 - 6.9-7.9 HA GLU 111 - H VAL 117 far 0 89 0 - 7.8-8.7 HA LEU 14 - H VAL 117 far 0 81 0 - 8.7-9.8 HA LYS 17 - H ALA 113 far 0 99 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 711 from nnoeabs.peaks (2.08, 8.12, 120.32 ppm; 3.09 A): 2 out of 10 assignments used, quality = 0.99: HB3 GLU 112 + H ALA 113 OK 92 100 100 92 2.3-3.5 7876=38, 4.0/709=33...(19) * HB2 GLU 112 + H ALA 113 OK 92 100 100 92 2.4-4.2 7875=38, 4.0/709=33...(19) HG2 GLU 119 - H VAL 117 far 0 91 0 - 4.9-6.6 HB2 GLU 111 - H ALA 113 far 0 77 0 - 5.0-6.1 HB3 MET 121 - H VAL 117 far 0 92 0 - 6.8-9.0 HB3 GLU 112 - H VAL 117 far 0 97 0 - 6.9-8.7 HB3 PHE 79 - H VAL 117 far 0 89 0 - 7.4-8.5 HB2 GLU 112 - H VAL 117 far 0 97 0 - 7.9-9.0 HB2 GLU 111 - H VAL 117 far 0 72 0 - 9.6-10.6 HG2 GLU 119 - H ALA 113 far 0 96 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 712 from nnoeabs.peaks (2.08, 8.12, 120.32 ppm; 3.09 A): 2 out of 11 assignments used, quality = 0.99: * HB3 GLU 112 + H ALA 113 OK 92 100 100 92 2.3-3.5 7876=38, 4.0/709=33...(19) HB2 GLU 112 + H ALA 113 OK 92 100 100 92 2.4-4.2 7875=38, 4.0/709=33...(19) HG2 GLU 119 - H VAL 117 far 0 92 0 - 4.9-6.6 HB2 GLU 111 - H ALA 113 far 0 73 0 - 5.0-6.1 HB3 MET 121 - H VAL 117 far 0 94 0 - 6.8-9.0 HB3 GLU 112 - H VAL 117 far 0 97 0 - 6.9-8.7 HB3 PHE 79 - H VAL 117 far 0 91 0 - 7.4-8.5 HB2 GLU 112 - H VAL 117 far 0 97 0 - 7.9-9.0 HB2 GLU 13 - H ALA 113 far 0 61 0 - 8.5-10.5 HB2 GLU 111 - H VAL 117 far 0 68 0 - 9.6-10.6 HG2 GLU 119 - H ALA 113 far 0 97 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 713 from nnoeabs.peaks (2.34, 8.12, 120.32 ppm; 4.79 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 112 + H ALA 113 OK 100 100 100 100 3.7-5.0 4.9/709=62, 7877=50...(17) HG3 GLU 112 + H ALA 113 OK 100 100 100 100 2.9-5.2 4.9/709=62, 7878=50...(18) HG2 GLN 83 + H ALA 113 OK 67 100 85 79 4.9-6.6 5620/2.9=37, ~5628=26...(8) HG3 GLU 112 - H VAL 117 far 5 97 5 - 6.1-9.6 HB3 PHE 120 - H VAL 117 far 5 94 5 - 5.8-7.6 HG2 GLU 112 - H VAL 117 far 0 97 0 - 6.7-9.5 HG3 GLU 103 - H VAL 117 far 0 75 0 - 9.3-14.0 HG2 GLN 83 - H VAL 117 far 0 97 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 714 from nnoeabs.peaks (2.34, 8.12, 120.32 ppm; 4.79 A): 3 out of 8 assignments used, quality = 1.00: * HG3 GLU 112 + H ALA 113 OK 100 100 100 100 2.9-5.2 4.9/709=62, 7878=50...(18) HG2 GLU 112 + H ALA 113 OK 100 100 100 100 3.7-5.0 4.9/709=62, 7877=50...(17) HG2 GLN 83 + H ALA 113 OK 67 100 85 79 4.9-6.6 5620/2.9=37, ~5628=26...(8) HG3 GLU 112 - H VAL 117 far 5 97 5 - 6.1-9.6 HB3 PHE 120 - H VAL 117 far 5 95 5 - 5.8-7.6 HG2 GLU 112 - H VAL 117 far 0 97 0 - 6.7-9.5 HG3 GLU 103 - H VAL 117 far 0 72 0 - 9.3-14.0 HG2 GLN 83 - H VAL 117 far 0 97 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 715 from nnoeabs.peaks (8.12, 7.74, 116.90 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 113 + H LEU 114 OK 100 100 100 100 2.4-3.0 1956=97, 1741/7880=53...(20) H VAL 117 - H LEU 114 far 0 100 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 716 from nnoeabs.peaks (3.80, 7.74, 116.90 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 113 + H LEU 114 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 115 + H LEU 114 OK 95 100 100 95 5.1-5.3 3.0/718=80, 3.6/2193=45...(10) Violated in 0 structures by 0.00 A. Peak 717 from nnoeabs.peaks (1.41, 7.74, 116.90 ppm; 2.92 A): 2 out of 4 assignments used, quality = 0.99: * QB ALA 113 + H LEU 114 OK 95 100 100 95 2.3-2.9 7880=58, 1741/715=42...(17) HB3 LEU 114 + H LEU 114 OK 80 84 100 96 2.4-3.6 1.8/1744=58, 3.9=43...(10) HB3 GLN 83 - H LEU 114 far 0 92 0 - 5.7-6.7 HG3 LYS 17 - H LEU 114 far 0 61 0 - 6.2-8.4 Violated in 0 structures by 0.00 A. Peak 718 from nnoeabs.peaks (7.74, 7.62, 119.07 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + H LYS 115 OK 100 100 100 100 2.4-2.7 1957=90, 1744/4.3=34...(22) Violated in 0 structures by 0.00 A. Peak 719 from nnoeabs.peaks (3.71, 7.62, 119.07 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 114 + H LYS 115 OK 100 100 100 100 3.4-3.5 3.6=100 HA2 GLY 101 + H GLN 100 OK 47 58 100 81 4.8-5.5 2.9/638=73, ~639=31 Violated in 0 structures by 0.00 A. Peak 720 from nnoeabs.peaks (1.74, 7.62, 119.07 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.99: * HB2 LEU 114 + H LYS 115 OK 99 100 100 99 2.8-4.4 1.8/7883=67, 4.3=61...(15) HG2 ARG 118 + H LYS 115 OK 31 98 35 90 4.4-6.0 11024/3.0=29, ~8264=23...(13) HG2 LYS 17 - H LYS 115 far 0 57 0 - 7.6-10.5 HB2 LEU 68 - H GLN 100 far 0 52 0 - 8.1-9.4 HB2 LEU 80 - H GLN 100 far 0 37 0 - 8.1-9.0 HB3 LYS 94 - H GLN 100 far 0 67 0 - 8.1-9.7 HG3 ARG 105 - H LYS 115 far 0 70 0 - 8.2-10.6 Violated in 7 structures by 0.09 A. Peak 721 from nnoeabs.peaks (1.40, 7.62, 119.07 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 114 + H LYS 115 OK 99 100 100 99 2.8-4.3 7883=82, 1.8/720=56...(11) QB ALA 113 + H LYS 115 OK 78 84 100 93 4.1-4.5 3.7/718=51, 2.1/1750=34...(14) HG LEU 14 - H LYS 115 far 0 61 0 - 6.9-8.6 HB3 LEU 68 - H GLN 100 far 0 42 0 - 7.2-9.3 Violated in 9 structures by 0.04 A. Peak 722 from nnoeabs.peaks (1.65, 7.62, 119.07 ppm; 3.61 A): 3 out of 5 assignments used, quality = 1.00: HD3 LYS 115 + H LYS 115 OK 90 96 95 100 2.4-5.1 2.9/1753=60, 2.9/1754=44...(28) * HG LEU 114 + H LYS 115 OK 88 100 90 98 2.6-5.3 3.0/7883=50, 6678/718=49...(11) HD2 LYS 115 + H LYS 115 OK 84 99 85 100 2.5-5.3 2.9/1753=60, 2.9/1754=44...(29) HD2 LYS 65 - H GLN 100 far 0 66 0 - 7.4-12.5 HD3 LYS 65 - H GLN 100 far 0 67 0 - 7.7-12.4 Violated in 7 structures by 0.05 A. Peak 723 from nnoeabs.peaks (0.81, 7.62, 119.07 ppm; 4.56 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 114 + H LYS 115 OK 100 100 100 100 2.5-4.9 4.9=82, 2.1/7886=75...(16) QD1 LEU 81 + H LYS 115 OK 54 73 100 74 4.2-5.0 10452/3.0=24...(8) QD1 LEU 64 - H GLN 100 far 0 58 0 - 7.7-10.3 QG2 ILE 71 - H GLN 100 far 0 52 0 - 9.5-12.7 QD2 LEU 82 - H GLN 100 far 0 31 0 - 9.6-11.2 QD2 LEU 82 - H LYS 115 far 0 57 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 724 from nnoeabs.peaks (0.67, 7.62, 119.07 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 114 + H LYS 115 OK 100 100 100 100 4.1-4.9 7886=93, 6693/3.6=75...(16) QD1 ILE 116 + H LYS 115 OK 89 92 100 97 3.7-5.4 1765/1958=58...(21) QG2 ILE 97 + H GLN 100 OK 22 52 100 43 3.9-4.5 3.2/11311=20...(5) QD1 LEU 55 - H LYS 115 far 0 81 0 - 9.3-11.1 QD1 ILE 71 - H GLN 100 far 0 42 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 725 from nnoeabs.peaks (7.62, 8.00, 120.61 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 115 + H ILE 116 OK 100 100 100 100 2.3-2.6 1958=100, 1753/729=53...(17) HE ARG 105 - H ILE 116 far 0 65 0 - 6.4-10.2 Violated in 0 structures by 0.00 A. Peak 726 from nnoeabs.peaks (3.80, 8.00, 120.61 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 115 + H ILE 116 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 113 + H ILE 116 OK 99 100 100 99 3.3-3.7 8252/1761=50...(16) Violated in 0 structures by 0.00 A. Peak 727 from nnoeabs.peaks (1.93, 8.00, 120.61 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 115 + H ILE 116 OK 99 100 100 99 2.3-4.1 3.0/729=60, 4.4=51...(16) HB3 LYS 115 + H ILE 116 OK 96 98 100 98 3.4-4.2 3.0/729=60, 4.4=51...(12) HB2 LEU 81 - H ILE 116 far 0 94 0 - 5.7-7.9 HB3 LYS 17 - H ILE 116 far 0 98 0 - 8.9-11.8 HG2 MET 121 - H ILE 116 far 0 90 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 728 from nnoeabs.peaks (1.93, 8.00, 120.61 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 115 + H ILE 116 OK 98 100 100 98 3.4-4.2 3.0/729=60, 4.4=51...(12) HB2 LYS 115 + H ILE 116 OK 97 98 100 99 2.3-4.1 3.0/729=60, 4.4=51...(14) HB2 LEU 81 - H ILE 116 far 0 77 0 - 5.7-7.9 HB3 LYS 17 - H ILE 116 far 0 87 0 - 8.9-11.8 HG2 MET 121 - H ILE 116 far 0 70 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 729 from nnoeabs.peaks (1.56, 8.00, 120.61 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.96: * HG2 LYS 115 + H ILE 116 OK 96 100 100 96 1.8-3.6 1753/1958=45...(12) HG2 LYS 123 - H ILE 116 far 0 81 0 - 10.0-14.2 Violated in 8 structures by 0.06 A. Peak 730 from nnoeabs.peaks (1.30, 8.00, 120.61 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 115 + H ILE 116 OK 100 100 100 100 2.2-4.5 1.8/729=100, 7891=83...(10) Violated in 0 structures by 0.00 A. Peak 735 from nnoeabs.peaks (8.00, 8.12, 120.23 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.92: * H ILE 116 + H VAL 117 OK 92 100 100 92 2.5-2.9 1761/737=45, 1959=43...(11) H ILE 116 - H ALA 113 poor 19 97 20 - 4.5-5.0 Violated in 0 structures by 0.00 A. Peak 736 from nnoeabs.peaks (3.46, 8.12, 120.23 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 116 + H VAL 117 OK 100 100 100 100 3.5-3.5 3.6=100 HA ILE 116 - H ALA 113 far 0 97 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 737 from nnoeabs.peaks (1.63, 8.12, 120.23 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.99: * HB ILE 116 + H VAL 117 OK 99 100 100 99 2.8-3.0 1761/735=53, 2.1/738=51...(18) HB ILE 116 - H ALA 113 far 0 97 0 - 5.0-6.5 HB ILE 5 - H VAL 117 far 0 73 0 - 8.0-9.4 HB2 LEU 82 - H ALA 113 far 0 89 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 738 from nnoeabs.peaks (0.04, 8.12, 120.23 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 116 + H VAL 117 OK 100 100 100 100 3.5-4.1 2.1/737=83, 4.3=73...(17) QG2 ILE 116 - H ALA 113 far 0 97 0 - 5.9-6.8 Violated in 3 structures by 0.01 A. Peak 739 from nnoeabs.peaks (1.58, 8.12, 120.23 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 116 + H VAL 117 OK 100 100 100 100 3.8-5.2 6812/737=85, 1763/735=75...(10) HG12 ILE 116 + H ALA 113 OK 97 97 100 99 3.8-5.2 1763/1959=32, ~10416=31...(22) HG2 LYS 123 - H VAL 117 far 0 94 0 - 8.7-13.0 HG LEU 55 - H VAL 117 far 0 65 0 - 9.1-11.4 Violated in 7 structures by 0.03 A. Peak 740 from nnoeabs.peaks (0.97, 8.12, 120.23 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 116 + H VAL 117 OK 100 100 100 100 3.5-5.3 2.9/737=93, 1764/735=84...(10) HG13 ILE 116 + H ALA 113 OK 87 97 90 100 3.9-6.6 10413/3.0=49, 1.8/739=46...(17) Violated in 5 structures by 0.02 A. Peak 741 from nnoeabs.peaks (0.68, 8.12, 120.23 ppm; 3.60 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 116 + H VAL 117 OK 99 100 100 99 4.2-5.0 3.2/737=56, 1765/735=51...(15) QD1 ILE 116 + H ALA 113 OK 67 97 70 98 3.3-5.6 10416/3.0=38, 2.1/739=25...(26) QD2 LEU 114 + H ALA 113 OK 38 87 50 87 3.8-6.6 6692/715=37...(12) QD2 LEU 114 - H VAL 117 far 14 92 15 - 4.3-6.7 QD1 LEU 55 - H VAL 117 far 0 99 0 - 6.7-8.9 Violated in 16 structures by 0.09 A. Peak 742 from nnoeabs.peaks (8.12, 8.03, 118.42 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 117 + H ARG 118 OK 99 100 100 99 2.5-2.8 1960=84, 6841/745=54...(11) H ALA 113 - H ARG 118 far 0 100 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 744 from nnoeabs.peaks (2.05, 8.03, 118.42 ppm; 3.33 A): 2 out of 4 assignments used, quality = 0.99: * HB VAL 117 + H ARG 118 OK 99 100 100 99 2.2-2.5 2.1/745=66, 2.1/746=61...(8) HB2 GLU 66 + H LYS 65 OK 25 62 70 57 4.4-6.5 1434/398=33...(6) HB3 MET 67 - H LYS 65 far 10 67 15 - 4.6-7.1 HB3 GLN 100 - H LYS 65 far 0 68 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 745 from nnoeabs.peaks (0.86, 8.03, 118.42 ppm; 3.28 A): 1 out of 9 assignments used, quality = 0.98: * QG2 VAL 117 + H ARG 118 OK 98 100 100 98 3.0-3.2 2.1/746=60, 2.1/744=50...(12) QG2 VAL 22 - H ARG 118 far 0 90 0 - 6.3-8.7 QD1 LEU 14 - H ARG 118 far 0 98 0 - 6.9-8.0 QG1 VAL 32 - H LYS 65 far 0 67 0 - 7.1-7.9 HG13 ILE 5 - H ARG 118 far 0 61 0 - 7.2-9.3 QG2 VAL 107 - H ARG 118 far 0 100 0 - 7.9-9.1 QG2 VAL 104 - H LYS 65 far 0 34 0 - 8.1-9.5 QG2 THR 9 - H ARG 118 far 0 100 0 - 8.9-11.0 QG2 THR 9 - H LYS 65 far 0 67 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 746 from nnoeabs.peaks (0.72, 8.03, 118.42 ppm; 3.50 A): 1 out of 10 assignments used, quality = 0.99: * QG1 VAL 117 + H ARG 118 OK 99 100 100 99 3.7-3.9 2.1/745=72, 7905=71...(11) QG2 ILE 18 - H ARG 118 poor 20 100 20 - 4.2-6.6 QD1 LEU 6 - H LYS 65 far 0 64 0 - 5.1-5.9 QD2 LEU 81 - H ARG 118 far 0 77 0 - 5.2-5.5 QD2 LEU 6 - H LYS 65 far 0 48 0 - 5.3-6.4 HG13 ILE 18 - H ARG 118 far 0 96 0 - 5.4-6.7 QD2 LEU 63 - H LYS 65 far 0 52 0 - 5.4-6.2 QD2 LEU 55 - H ARG 118 far 0 77 0 - 6.6-8.3 QD1 ILE 57 - H ARG 118 far 0 81 0 - 9.4-11.3 QG2 VAL 78 - H LYS 65 far 0 66 0 - 9.5-10.4 Violated in 20 structures by 0.32 A. Peak 747 from nnoeabs.peaks (8.03, 7.92, 122.42 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 118 + H GLU 119 OK 99 100 100 99 2.8-2.9 1961=76, 1774/750=45...(11) H VAL 22 - H GLU 119 far 0 90 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 749 from nnoeabs.peaks (1.80, 7.92, 122.42 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 118 + H GLU 119 OK 100 100 100 100 3.5-4.1 1.8/750=85, 4.2=83...(6) HG2 ARG 105 - H GLU 119 far 0 98 0 - 6.8-7.9 HB3 ARG 105 - H GLU 119 far 0 70 0 - 7.4-9.1 HG12 ILE 5 - H GLU 119 far 0 96 0 - 7.4-10.3 Violated in 13 structures by 0.03 A. Peak 750 from nnoeabs.peaks (1.87, 7.92, 122.42 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ARG 118 + H GLU 119 OK 98 100 100 98 2.5-3.7 1.8/749=61, 4.2=60...(6) HB2 ARG 105 - H GLU 119 far 0 81 0 - 7.8-9.2 Violated in 11 structures by 0.06 A. Peak 751 from nnoeabs.peaks (1.73, 7.92, 122.42 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 118 + H GLU 119 OK 100 100 100 100 2.1-4.4 3.0/750=78, 3.0/749=71...(9) HD3 LYS 123 - H GLU 119 far 0 61 0 - 7.0-8.4 HB2 LEU 114 - H GLU 119 far 0 98 0 - 8.1-9.4 Violated in 3 structures by 0.00 A. Peak 752 from nnoeabs.peaks (1.48, 7.92, 122.42 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + H GLU 119 OK 100 100 100 100 2.6-5.3 1.8/751=97, 3.0/750=96...(6) Violated in 0 structures by 0.00 A. Peak 755 from nnoeabs.peaks (7.92, 8.83, 119.60 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + H PHE 120 OK 100 100 100 100 2.5-2.9 1962=100, 747/2213=37...(11) Violated in 0 structures by 0.00 A. Peak 756 from nnoeabs.peaks (4.03, 8.83, 119.60 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 119 + H PHE 120 OK 100 100 100 100 3.5-3.6 3.6=100 HA PHE 120 + H PHE 120 OK 99 99 100 100 2.7-2.8 3.0=100 HA LYS 123 - H PHE 120 far 0 100 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 757 from nnoeabs.peaks (2.12, 8.83, 119.60 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.99: * HB2 GLU 119 + H PHE 120 OK 92 100 100 92 2.4-2.8 4.6=42, 4.0/1962=40...(13) HB3 GLU 119 + H PHE 120 OK 92 100 100 92 3.1-3.8 4.6=42, 4.0/1962=40...(13) HB2 GLU 21 - H PHE 120 far 0 100 0 - 8.8-11.4 HG3 GLU 21 - H PHE 120 far 0 84 0 - 9.1-11.7 HG2 GLU 21 - H PHE 120 far 0 90 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 758 from nnoeabs.peaks (2.11, 8.83, 119.60 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.99: * HB3 GLU 119 + H PHE 120 OK 92 100 100 92 3.1-3.8 4.6=42, 4.0/1962=40...(13) HB2 GLU 119 + H PHE 120 OK 92 100 100 92 2.4-2.8 4.6=42, 4.0/1962=40...(13) HB2 GLU 21 - H PHE 120 far 0 100 0 - 8.8-11.4 HG3 GLU 21 - H PHE 120 far 0 92 0 - 9.1-11.7 HG2 GLU 21 - H PHE 120 far 0 96 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 759 from nnoeabs.peaks (2.08, 8.83, 119.60 ppm; 3.91 A): 3 out of 4 assignments used, quality = 0.99: * HG2 GLU 119 + H PHE 120 OK 98 100 100 98 4.1-4.8 1783/1962=62...(13) HB3 MET 121 + H PHE 120 OK 63 100 90 70 4.5-6.2 1796/761=47, 772/2223=30...(5) HB3 PHE 79 + H PHE 120 OK 30 100 50 61 5.2-5.7 4702/1792=34...(6) HB2 GLU 103 - H PHE 120 far 0 90 0 - 8.0-10.4 Violated in 19 structures by 0.10 A. Peak 760 from nnoeabs.peaks (2.46, 8.83, 119.60 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 119 + H PHE 120 OK 100 100 100 100 3.7-5.1 6932/3.6=97...(11) Violated in 0 structures by 0.00 A. Peak 761 from nnoeabs.peaks (8.83, 8.32, 116.60 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + H MET 121 OK 100 100 100 100 2.7-2.9 1963=88, 1787/763=45...(13) Violated in 0 structures by 0.00 A. Peak 762 from nnoeabs.peaks (4.02, 8.32, 116.60 ppm; 4.54 A): 2 out of 5 assignments used, quality = 1.00: * HA PHE 120 + H MET 121 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 119 + H MET 121 OK 94 99 100 95 4.1-4.9 3.6/761=68, 8289/1964=48...(6) HA LYS 123 - H MET 121 far 0 100 0 - 6.9-7.2 HB2 SER 126 - H MET 121 far 0 100 0 - 9.3-11.8 HB3 SER 126 - H MET 121 far 0 96 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 763 from nnoeabs.peaks (3.22, 8.32, 116.60 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 120 + H MET 121 OK 99 100 100 99 2.2-3.8 1.8/764=77, 4.6=72...(9) Violated in 0 structures by 0.00 A. Peak 764 from nnoeabs.peaks (2.34, 8.32, 116.60 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.98: * HB3 PHE 120 + H MET 121 OK 98 100 100 98 2.5-3.9 1.8/763=75, 4.6=69...(7) Violated in 0 structures by 0.00 A. Peak 768 from nnoeabs.peaks (6.79, 8.32, 116.60 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 120 + H MET 121 OK 100 100 100 100 4.2-4.5 4.6=100 QD TYR 27 - H MET 121 far 5 100 5 - 6.1-7.4 Violated in 0 structures by 0.00 A. Peak 769 from nnoeabs.peaks (8.32, 8.05, 120.56 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + H GLN 122 OK 100 100 100 100 2.6-2.9 1964=100, 1795/771=54...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 771 from nnoeabs.peaks (2.29, 8.05, 120.56 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.84: * HB2 MET 121 + H GLN 122 OK 84 100 100 84 2.8-3.4 1.8/772=45, 1795/1964=37...(5) Violated in 16 structures by 0.03 A. Peak 772 from nnoeabs.peaks (2.08, 8.05, 120.56 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 121 + H GLN 122 OK 100 100 100 100 2.3-4.1 1.8/771=95, 4.6=73...(7) HG2 GLU 119 - H GLN 122 far 0 100 0 - 5.7-6.4 HB3 PHE 79 - H GLN 122 far 0 100 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 773 from nnoeabs.peaks (1.92, 8.05, 120.56 ppm; 4.74 A): 3 out of 7 assignments used, quality = 1.00: * HG2 MET 121 + H GLN 122 OK 100 100 100 100 4.5-5.2 3.0/771=90, 3.0/772=76...(7) HB3 LYS 123 + H GLN 122 OK 94 100 100 94 4.9-5.5 1811/1965=78...(5) HB2 LYS 123 + H GLN 122 OK 61 70 95 93 4.4-6.2 3.7/1965=76, 4.4/2233=46...(6) HB2 GLU 128 - H GLN 122 far 0 73 0 - 9.2-11.9 HB3 LYS 115 - H GLN 122 far 0 70 0 - 9.6-11.6 HB2 LEU 81 - H GLN 122 far 0 100 0 - 9.8-11.7 HB2 LEU 127 - H GLN 122 far 0 73 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 775 from nnoeabs.peaks (1.83, 8.05, 120.56 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: * QE MET 121 + H GLN 122 OK 100 100 100 100 3.5-5.7 7022/771=88, 7021/3.6=87...(9) HD2 LYS 123 - H GLN 122 far 8 84 10 - 6.6-7.0 Violated in 2 structures by 0.04 A. Peak 776 from nnoeabs.peaks (8.05, 8.40, 121.61 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 122 + H LYS 123 OK 100 100 100 100 2.6-2.9 1965=100, 7051/7933=38...(12) Violated in 0 structures by 0.00 A. Peak 777 from nnoeabs.peaks (4.13, 8.40, 121.61 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 122 + H LYS 123 OK 100 100 100 100 3.6-3.6 3.6=100 HA ALA 124 - H LYS 123 far 0 94 0 - 5.5-5.6 Violated in 0 structures by 0.00 A. Peak 778 from nnoeabs.peaks (2.24, 8.40, 121.61 ppm; 3.66 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLN 122 + H LYS 123 OK 97 100 100 97 3.4-3.8 4.7=49, 3.0/7933=47...(13) * HB2 GLN 122 + H LYS 123 OK 97 100 100 97 2.1-2.4 4.7=49, 3.0/7933=47...(11) HG2 GLU 103 - H LYS 123 far 0 77 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 779 from nnoeabs.peaks (2.24, 8.40, 121.61 ppm; 3.66 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 122 + H LYS 123 OK 97 100 100 97 3.4-3.8 4.7=49, 3.0/7933=47...(13) HB2 GLN 122 + H LYS 123 OK 97 100 100 97 2.1-2.4 4.7=49, 3.0/7933=47...(11) HG2 GLU 103 - H LYS 123 far 0 77 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 780 from nnoeabs.peaks (2.41, 8.40, 121.61 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 122 + H LYS 123 OK 100 100 100 100 3.4-4.4 7933=100, 7031/3.6=77...(13) Violated in 0 structures by 0.00 A. Peak 781 from nnoeabs.peaks (2.52, 8.40, 121.61 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + H LYS 123 OK 100 100 100 100 3.5-4.8 7934=100, 1.8/7933=100...(12) HG3 GLN 25 - H LYS 123 far 0 100 0 - 8.0-11.9 Violated in 0 structures by 0.00 A. Peak 784 from nnoeabs.peaks (8.40, 8.60, 121.87 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + H ALA 124 OK 100 100 100 100 2.9-3.1 1966=87, 1810/786=46...(10) Violated in 0 structures by 0.00 A. Peak 785 from nnoeabs.peaks (4.03, 8.60, 121.87 ppm; 4.57 A): 4 out of 5 assignments used, quality = 1.00: * HA LYS 123 + H ALA 124 OK 100 100 100 100 3.5-3.6 3.6=100 HA PHE 120 + H ALA 124 OK 96 100 100 96 3.6-4.3 8297/786=61, 8299/787=60...(8) HB2 SER 126 + H ALA 124 OK 35 100 80 44 5.1-7.3 4.0/2250=34...(4) HB3 SER 126 + H ALA 124 OK 26 99 60 43 5.5-7.6 4.0/2250=34...(4) HA GLU 119 - H ALA 124 far 0 100 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 786 from nnoeabs.peaks (1.93, 8.60, 121.87 ppm; 3.68 A): 1 out of 3 assignments used, quality = 0.97: * HB2 LYS 123 + H ALA 124 OK 97 100 100 97 3.2-3.6 4.4=57, 1810/784=51...(13) HB2 LEU 127 - H ALA 124 far 0 100 0 - 5.6-7.4 HG2 MET 121 - H ALA 124 far 0 70 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 787 from nnoeabs.peaks (1.91, 8.60, 121.87 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.96: * HB3 LYS 123 + H ALA 124 OK 96 100 100 96 2.2-2.6 4.4=60, 1811/784=52...(12) HB2 LEU 127 - H ALA 124 far 0 61 0 - 5.6-7.4 HG2 MET 121 - H ALA 124 far 0 100 0 - 6.1-7.0 HB2 GLU 128 - H ALA 124 far 0 84 0 - 6.5-9.3 Violated in 0 structures by 0.00 A. Peak 788 from nnoeabs.peaks (1.57, 8.60, 121.87 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 123 + H ALA 124 OK 100 100 100 100 3.8-4.6 4.7=100 HG12 ILE 3 + H ALA 124 OK 81 81 100 100 6.8-7.6 2.1/10614=96, ~9010=88...(11) HG LEU 55 - H ALA 124 far 0 94 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.8 4.7=100 Violated in 0 structures by 0.00 A. Peak 794 from nnoeabs.peaks (8.60, 7.95, 104.75 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + H GLY 125 OK 100 100 100 100 2.7-2.7 1967=100, 8307/8308=31...(4) Violated in 0 structures by 0.00 A. Peak 795 from nnoeabs.peaks (4.14, 7.95, 104.75 ppm; 3.84 A): 2 out of 3 assignments used, quality = 1.00: * HA ALA 124 + H GLY 125 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLN 122 + H GLY 125 OK 77 94 100 82 3.3-3.4 8308=55, 8307/1967=36...(4) HA3 GLY 26 - H GLY 125 far 0 65 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 797 from nnoeabs.peaks (7.95, 7.86, 116.08 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: * H GLY 125 + H SER 126 OK 99 100 100 99 2.5-2.8 1968=95, 3.6/10635=38...(8) Violated in 0 structures by 0.00 A. Peak 798 from nnoeabs.peaks (4.05, 7.86, 116.08 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.98: * HA2 GLY 125 + H SER 126 OK 89 100 100 89 3.4-3.5 3.6=70, 3.0/797=38...(8) HA3 GLY 125 + H SER 126 OK 80 90 100 89 2.9-3.1 3.6=70, 3.0/797=38...(8) Violated in 0 structures by 0.00 A. Peak 799 from nnoeabs.peaks (4.06, 7.86, 116.08 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.98: * HA3 GLY 125 + H SER 126 OK 90 100 100 90 2.9-3.1 3.6=70, 3.0/797=38...(8) HA2 GLY 125 + H SER 126 OK 80 90 100 90 3.4-3.5 3.6=70, 3.0/797=38...(8) Violated in 0 structures by 0.00 A. Peak 800 from nnoeabs.peaks (7.86, 7.88, 122.37 ppm; 2.53 A): 1 out of 1 assignment used, quality = 0.96: * H SER 126 + H LEU 127 OK 96 100 100 96 2.3-2.6 1969=92, 3.6/2255=10...(7) Violated in 3 structures by 0.01 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 802 from nnoeabs.peaks (4.02, 7.88, 122.37 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 126 + H LEU 127 OK 95 100 100 95 2.6-4.1 4.0/800=55, 4.5=54...(8) HB3 SER 126 + H LEU 127 OK 92 97 100 95 2.8-3.7 4.0/800=55, 4.5=54...(8) HA LYS 123 - H LEU 127 poor 20 100 20 - 4.7-6.5 HA PHE 120 - H LEU 127 far 0 100 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 803 from nnoeabs.peaks (4.03, 7.88, 122.37 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 126 + H LEU 127 OK 95 100 100 95 2.8-3.7 4.0/800=55, 4.5=54...(8) HB2 SER 126 + H LEU 127 OK 92 97 100 95 2.6-4.1 4.0/800=55, 4.5=54...(8) HA LYS 123 - H LEU 127 poor 20 99 20 - 4.7-6.5 HA PHE 120 - H LEU 127 far 0 96 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 804 from nnoeabs.peaks (7.88, 8.08, 119.78 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + H GLU 128 OK 100 100 100 100 2.3-2.8 1970=95, 1830/806=58...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 806 from nnoeabs.peaks (1.93, 8.08, 119.78 ppm; 3.03 A): 1 out of 5 assignments used, quality = 0.94: * HB2 LEU 127 + H GLU 128 OK 94 100 100 94 2.3-3.0 1.8/807=42, 4.2=39...(9) HB3 GLU 52 - H GLU 128 far 0 61 0 - 7.0-14.6 HB3 LYS 123 - H GLU 128 far 0 61 0 - 7.5-8.8 HB2 LYS 123 - H GLU 128 far 0 100 0 - 7.9-9.8 HG2 MET 121 - H GLU 128 far 0 73 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 807 from nnoeabs.peaks (1.61, 8.08, 119.78 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + H GLU 128 OK 100 100 100 100 3.6-4.2 1.8/806=95, 4.2=89...(9) HD2 LYS 77 - H GLU 128 far 0 90 0 - 6.7-10.1 HD3 LYS 77 - H GLU 128 far 0 92 0 - 7.4-9.9 Violated in 15 structures by 0.05 A. Peak 808 from nnoeabs.peaks (1.86, 8.08, 119.78 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 127 + H GLU 128 OK 99 100 100 99 3.7-3.8 3.0/806=70, 2.1/809=57...(9) HB3 LYS 77 - H GLU 128 far 0 70 0 - 6.2-7.8 HB2 LYS 77 - H GLU 128 far 0 77 0 - 6.9-8.4 HD2 LYS 123 - H GLU 128 far 0 77 0 - 9.9-11.3 Violated in 15 structures by 0.02 A. Peak 809 from nnoeabs.peaks (0.93, 8.08, 119.78 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 127 + H GLU 128 OK 100 100 100 100 4.2-4.3 2.1/808=83, 3.1/806=81...(8) HG3 LYS 53 - H GLU 128 far 0 99 0 - 7.1-11.2 Violated in 18 structures by 0.02 A. Peak 810 from nnoeabs.peaks (1.01, 8.08, 119.78 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + H GLU 128 OK 100 100 100 100 4.4-4.6 4.8=93, 2.1/808=93...(8) Violated in 0 structures by 0.00 A. Peak 823 from nnoeabs.peaks (5.90, 7.37, 107.51 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 8 + HD21 ASN 8 OK 99 100 100 99 2.0-3.8 2532=86, 829/1.7=67...(6) Violated in 0 structures by 0.00 A. Peak 824 from nnoeabs.peaks (2.89, 7.37, 107.51 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 8 + HD21 ASN 8 OK 100 100 100 100 2.3-3.6 3.5=100 HB2 ASN 10 - HD21 ASN 8 far 4 77 5 - 4.8-9.4 Violated in 0 structures by 0.00 A. Peak 825 from nnoeabs.peaks (2.27, 7.37, 107.51 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 8 + HD21 ASN 8 OK 100 100 100 100 2.1-3.5 3.5=100 HG2 GLU 69 - HD21 ASN 8 far 0 100 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 829 from nnoeabs.peaks (5.90, 6.25, 107.51 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 8 + HD22 ASN 8 OK 99 100 100 99 3.5-4.3 823/1.7=85, 4.5=85...(6) Violated in 1 structures by 0.00 A. Peak 830 from nnoeabs.peaks (2.89, 6.25, 107.51 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 8 + HD22 ASN 8 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 ASN 10 - HD22 ASN 8 lone 0 77 30 1 5.3-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 836 from nnoeabs.peaks (2.91, 7.64, 111.46 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 10 + HD21 ASN 10 OK 100 100 100 100 2.3-3.7 3.5=100 HB2 ASN 8 - HD21 ASN 10 far 0 77 0 - 7.5-11.0 HE3 LYS 65 - HD21 ASN 10 far 0 92 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 842 from nnoeabs.peaks (2.91, 6.93, 111.46 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 10 + HD22 ASN 10 OK 100 100 100 100 2.5-4.1 3.5=100 HB2 ASN 8 - HD22 ASN 10 far 0 77 0 - 7.0-11.3 Violated in 4 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 844 from nnoeabs.peaks (7.64, 6.93, 111.46 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 10 + HD22 ASN 10 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 85 - HD22 ASN 10 far 0 70 0 - 6.6-15.9 H LEU 64 - HD22 ASN 10 far 0 77 0 - 8.7-13.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA ASN 11 + HD21 ASN 11 OK 100 100 100 100 2.7-4.4 4.4=100 HA ASN 11 + HD22 ASN 11 OK 100 100 100 100 3.6-4.6 4.4=100 HA ASN 59 - HD21 ASN 11 far 0 65 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.5-6.0 5.6=100 H ASN 11 + HD21 ASN 11 OK 100 100 100 100 3.4-5.0 5.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HB2 ASN 11 + HD21 ASN 11 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 855 from nnoeabs.peaks (2.74, 7.33, 114.07 ppm; 3.90 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 11 + HD22 ASN 11 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 11 + HD21 ASN 11 OK 100 100 100 100 2.1-3.5 3.5=100 HB3 ASP 109 - HD21 ASN 11 far 0 77 0 - 8.7-12.7 HB3 ASP 109 - HD22 ASN 11 far 0 77 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 860 from nnoeabs.peaks (2.97, 7.69, 112.83 ppm; 3.32 A): 2 out of 5 assignments used, quality = 0.98: * HB2 ASN 24 + HD21 ASN 24 OK 86 100 100 86 2.1-3.5 3.5=85, 11324/11539=9 HB3 ASN 24 + HD21 ASN 24 OK 85 100 100 85 2.1-3.6 3.5=85 HE2 LYS 20 - HD21 ASN 24 far 10 100 10 - 3.8-15.0 HE3 LYS 20 - HD21 ASN 24 far 5 100 5 - 4.2-14.9 HD3 ARG 118 - HD21 ASN 24 far 5 99 5 - 4.7-16.5 Violated in 0 structures by 0.00 A. Peak 861 from nnoeabs.peaks (2.97, 7.69, 112.83 ppm; 3.32 A): 2 out of 5 assignments used, quality = 0.98: HB2 ASN 24 + HD21 ASN 24 OK 86 100 100 86 2.1-3.5 3.5=85, 11324/11539=9 * HB3 ASN 24 + HD21 ASN 24 OK 85 100 100 85 2.1-3.6 3.5=85 HE2 LYS 20 - HD21 ASN 24 far 10 100 10 - 3.8-15.0 HE3 LYS 20 - HD21 ASN 24 far 5 100 5 - 4.2-14.9 HD3 ARG 118 - HD21 ASN 24 far 5 99 5 - 4.7-16.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.7 4.4=100 Violated in 0 structures by 0.00 A. Peak 866 from nnoeabs.peaks (2.97, 6.94, 112.83 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ASN 24 + HD22 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 24 + HD22 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 HE2 LYS 20 - HD22 ASN 24 poor 20 100 20 - 2.4-14.5 HE3 LYS 20 - HD22 ASN 24 lone 0 100 25 0 2.7-15.1 HD3 ARG 118 - HD22 ASN 24 far 0 99 0 - 5.6-17.9 Violated in 0 structures by 0.00 A. Peak 867 from nnoeabs.peaks (2.97, 6.94, 112.83 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: HB2 ASN 24 + HD22 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 * HB3 ASN 24 + HD22 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 HE2 LYS 20 - HD22 ASN 24 poor 20 100 20 - 2.4-14.5 HE3 LYS 20 - HD22 ASN 24 lone 0 100 25 0 2.7-15.1 HD3 ARG 118 - HD22 ASN 24 far 0 99 0 - 5.6-17.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 = 1.00: * H ASN 33 + HD21 ASN 33 OK 100 100 100 100 1.9-3.9 1212=100, 876/1.7=83...(6) Violated in 0 structures by 0.00 A. Peak 871 from nnoeabs.peaks (4.98, 7.94, 114.61 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 33 + HD21 ASN 33 OK 100 100 100 100 2.8-4.5 4.5=100 HA ASN 10 - HD21 ASN 33 far 0 92 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 872 from nnoeabs.peaks (2.91, 7.94, 114.61 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 33 + HD21 ASN 33 OK 100 100 100 100 2.2-3.6 3.5=100 HB2 ASP 34 - HD21 ASN 33 far 10 100 10 - 4.1-7.5 HE2 LYS 16 - HD21 ASN 33 far 0 100 0 - 7.6-15.8 HE3 LYS 16 - HD21 ASN 33 far 0 100 0 - 9.0-15.2 Violated in 0 structures by 0.00 A. Peak 873 from nnoeabs.peaks (2.69, 7.94, 114.61 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 33 + HD21 ASN 33 OK 100 100 100 100 2.1-3.1 3.5=100 HE3 LYS 19 - HD21 ASN 33 far 0 92 0 - 7.1-12.4 HE2 LYS 19 - HD21 ASN 33 far 0 92 0 - 7.5-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 876 from nnoeabs.peaks (9.55, 7.02, 114.61 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + HD22 ASN 33 OK 100 100 100 100 3.5-4.7 1212/1.7=87, 1211/3.5=80...(6) Violated in 0 structures by 0.00 A. Peak 877 from nnoeabs.peaks (4.98, 7.02, 114.61 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 33 + HD22 ASN 33 OK 100 100 100 100 3.6-5.1 4.5=100 HA ASN 10 - HD22 ASN 33 far 0 92 0 - 8.2-14.9 Violated in 1 structures by 0.00 A. Peak 878 from nnoeabs.peaks (2.91, 7.02, 114.61 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASN 33 + HD22 ASN 33 OK 100 100 100 100 3.5-4.1 3.5=100 HB3 ASN 88 + HD22 ASN 88 OK 46 46 100 100 3.4-4.0 3.5=100 HB2 ASP 34 - HD22 ASN 33 far 5 100 5 - 3.6-9.0 HB2 ASP 86 - HD22 ASN 88 far 3 27 10 - 4.1-9.5 HE2 LYS 16 - HD22 ASN 33 far 0 100 0 - 6.1-14.9 HE3 LYS 16 - HD22 ASN 33 far 0 100 0 - 7.4-15.2 Violated in 0 structures by 0.00 A. Peak 879 from nnoeabs.peaks (2.69, 7.02, 114.61 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 33 + HD22 ASN 33 OK 100 100 100 100 3.4-3.8 3.5=100 HE3 LYS 19 - HD22 ASN 33 far 0 92 0 - 6.4-11.9 HE2 LYS 19 - HD22 ASN 33 far 0 92 0 - 6.6-11.8 Violated in 1 structures by 0.00 A. Peak 880 from nnoeabs.peaks (7.94, 7.02, 114.61 ppm; 2.43 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 33 + HD22 ASN 33 OK 100 100 100 100 1.7-1.7 1.7=100 H GLU 91 - HD22 ASN 88 far 0 48 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 881 from nnoeabs.peaks (7.02, 7.02, 114.61 ppm; diagonal): 2 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 100 100 100 100 2.1-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 884 from nnoeabs.peaks (2.71, 7.63, 113.38 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 50 + HD21 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HB3 ASN 50 + HD21 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HE3 LYS 53 - HD21 ASN 50 far 0 90 0 - 9.4-15.6 Violated in 0 structures by 0.00 A. Peak 885 from nnoeabs.peaks (2.71, 7.63, 113.38 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 50 + HD21 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HB2 ASN 50 + HD21 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HE3 LYS 53 - HD21 ASN 50 far 0 92 0 - 9.4-15.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-5.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 890 from nnoeabs.peaks (2.71, 6.88, 113.38 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 50 + HD22 ASN 50 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 50 + HD22 ASN 50 OK 100 100 100 100 3.4-4.1 3.5=100 HE3 LYS 53 - HD22 ASN 50 far 0 90 0 - 8.0-16.8 Violated in 0 structures by 0.00 A. Peak 891 from nnoeabs.peaks (2.71, 6.88, 113.38 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 50 + HD22 ASN 50 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 ASN 50 + HD22 ASN 50 OK 100 100 100 100 3.4-4.1 3.5=100 HE3 LYS 53 - HD22 ASN 50 far 0 92 0 - 8.0-16.8 Violated in 0 structures by 0.00 A. Peak 892 from nnoeabs.peaks (7.63, 6.88, 113.38 ppm; 2.54 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 50 + HD22 ASN 50 OK 100 100 100 100 1.7-1.7 1.7=100 H ALA 46 - HD22 ASN 50 far 0 99 0 - 6.1-14.0 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA ASN 59 + HD21 ASN 59 OK 100 100 100 100 2.2-4.5 4.5=100 HA ASN 11 - HD21 ASN 59 far 7 65 10 - 6.1-10.6 HA ASP 34 - HD21 ASN 59 far 0 96 0 - 6.4-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 901 from nnoeabs.peaks (4.71, 6.75, 109.57 ppm; 6.05 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 59 + HD22 ASN 59 OK 100 100 100 100 3.5-5.2 4.5=100 HA ASN 11 - HD22 ASN 59 poor 16 65 25 - 5.1-11.4 HA ASP 34 - HD22 ASN 59 lone 1 96 65 2 5.4-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.99: * H ASN 88 + HD21 ASN 88 OK 99 100 100 99 2.4-4.9 1581/909=88, 1580/3.5=84 Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.3-4.6 4.3=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 909 from nnoeabs.peaks (2.90, 7.89, 114.32 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.94: * HB3 ASN 88 + HD21 ASN 88 OK 94 100 100 94 2.1-3.4 3.5=92, 1581/906=29 Violated in 1 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 912 from nnoeabs.peaks (8.53, 7.03, 114.32 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 88 + HD22 ASN 88 OK 100 100 100 100 3.0-5.9 5.7=100 H ILE 57 - HD22 ASN 33 far 0 33 0 - 7.8-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.9 4.3=100 Violated in 0 structures by 0.00 A. Peak 914 from nnoeabs.peaks (2.85, 7.03, 114.32 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 88 + HD22 ASN 88 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 ASP 36 - HD22 ASN 33 far 0 43 0 - 6.6-12.5 Violated in 3 structures by 0.01 A. Peak 915 from nnoeabs.peaks (2.90, 7.03, 114.32 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ASN 88 + HD22 ASN 88 OK 100 100 100 100 3.4-4.0 3.5=100 HB2 ASN 33 + HD22 ASN 33 OK 46 46 100 100 3.5-4.1 3.5=100 HB2 ASP 34 - HD22 ASN 33 far 2 47 5 - 3.6-9.0 HE2 LYS 16 - HD22 ASN 33 far 0 46 0 - 6.1-14.9 HE3 LYS 16 - HD22 ASN 33 far 0 46 0 - 7.4-15.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 917 from nnoeabs.peaks (7.03, 7.03, 114.32 ppm; diagonal): 2 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 = 1.00: * HA GLN 25 + HE21 GLN 25 OK 100 100 100 100 1.9-4.9 5.9=98, 3.6/9210=78 Violated in 0 structures by 0.00 A. Peak 921 from nnoeabs.peaks (2.38, 7.56, 112.87 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 25 + HE21 GLN 25 OK 100 100 100 100 2.1-2.8 3.5=100 HB3 TYR 27 - HE21 GLN 25 far 0 89 0 - 6.4-9.7 Violated in 0 structures by 0.00 A. Peak 922 from nnoeabs.peaks (2.52, 7.56, 112.87 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 25 + HE21 GLN 25 OK 100 100 100 100 2.3-3.6 3.5=100 HG3 GLN 122 - HE21 GLN 25 poor 20 100 20 - 5.2-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-5.5 5.9=100 Violated in 0 structures by 0.00 A. Peak 928 from nnoeabs.peaks (2.38, 6.88, 112.87 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 25 + HE22 GLN 25 OK 100 100 100 100 3.4-3.7 3.5=100 HB3 TYR 27 - HE22 GLN 25 far 0 89 0 - 6.9-10.5 Violated in 0 structures by 0.00 A. Peak 929 from nnoeabs.peaks (2.52, 6.88, 112.87 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 25 + HE22 GLN 25 OK 100 100 100 100 3.5-4.1 3.5=100 HG3 GLN 122 - HE22 GLN 25 poor 5 100 25 22 5.7-10.1 11429/11012=17, 3229=5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 28 + HE21 GLN 28 OK 100 100 100 100 2.3-4.6 4.5=100 HG3 GLU 52 - HE21 GLN 28 lone 0 65 35 1 3.1-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 937 from nnoeabs.peaks (2.20, 7.52, 113.89 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 28 + HE21 GLN 28 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLU 48 - HE21 GLN 28 far 0 100 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 942 from nnoeabs.peaks (2.06, 7.01, 113.89 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 28 + HE22 GLN 28 OK 100 100 100 100 3.7-5.3 4.5=100 HG3 GLU 52 - HE22 GLN 28 lone 1 65 55 2 3.6-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 945 from nnoeabs.peaks (2.20, 7.01, 113.89 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 28 + HE22 GLN 28 OK 100 100 100 100 2.6-4.1 3.5=100 HG2 GLU 48 - HE22 GLN 28 far 0 100 0 - 7.0-15.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: HB3 GLN 62 + HE21 GLN 62 OK 100 100 100 100 2.0-4.5 4.4=100 * HB2 GLN 62 + HE21 GLN 62 OK 100 100 100 100 2.0-4.4 4.4=100 HB3 GLU 37 - HE21 GLN 62 far 0 96 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 951 from nnoeabs.peaks (2.17, 7.85, 112.56 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 62 + HE21 GLN 62 OK 100 100 100 100 2.0-4.5 4.4=100 HB2 GLN 62 + HE21 GLN 62 OK 100 100 100 100 2.0-4.4 4.4=100 HB3 GLU 37 - HE21 GLN 62 far 0 96 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 952 from nnoeabs.peaks (2.41, 7.85, 112.56 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.99: * HG2 GLN 62 + HE21 GLN 62 OK 89 100 100 89 2.2-3.6 3.5=83, 3.9/4675=23...(5) HG3 GLN 62 + HE21 GLN 62 OK 89 100 100 89 2.3-3.6 3.5=83, 3.9/4675=23...(5) HG3 MET 67 - HE21 GLN 62 far 0 65 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. Peak 953 from nnoeabs.peaks (2.41, 7.85, 112.56 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.99: * HG3 GLN 62 + HE21 GLN 62 OK 89 100 100 89 2.3-3.6 3.5=83, 3.9/4675=23...(5) HG2 GLN 62 + HE21 GLN 62 OK 89 100 100 89 2.2-3.6 3.5=83, 3.9/4675=23...(5) HG3 MET 67 - HE21 GLN 62 far 0 70 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-6.1 5.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.9 4.4=100 * HB2 GLN 62 + HE22 GLN 62 OK 100 100 100 100 3.4-5.2 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.9 4.4=100 HB2 GLN 62 + HE22 GLN 62 OK 100 100 100 100 3.4-5.2 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 HG3 GLN 62 + HE22 GLN 62 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 62 + HE22 GLN 62 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 962 from nnoeabs.peaks (7.85, 6.89, 112.56 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 62 + HE22 GLN 62 OK 100 100 100 100 1.7-1.7 1.7=100 H ASP 60 - HE22 GLN 62 far 0 92 0 - 7.8-11.0 H LYS 39 - HE22 GLN 62 far 0 65 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-5.3 5.9=100 HA GLN 83 + HE22 GLN 83 OK 100 100 100 100 5.1-6.2 5.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.5 4.4=100 HB2 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.5-4.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 967 from nnoeabs.peaks (1.42, 7.20, 110.45 ppm; 4.52 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 3.8-4.6 4.4=100 HB3 GLN 83 + HE22 GLN 83 OK 100 100 100 100 4.2-5.3 4.4=100 QB ALA 113 + HE21 GLN 83 OK 85 92 100 92 3.6-5.2 5628/3.5=31, 5620/3.5=30...(13) QB ALA 113 + HE22 GLN 83 OK 84 92 100 92 2.8-5.8 5628/3.5=31, 5620/3.5=30...(13) HG3 LYS 106 - HE21 GLN 83 far 0 65 0 - 9.1-12.5 HG3 LYS 17 - HE22 GLN 83 far 0 94 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 968 from nnoeabs.peaks (2.34, 7.20, 110.45 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.1-2.7 3.5=100 HG2 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.4-3.7 3.5=100 HG3 GLU 112 - HE22 GLN 83 far 0 100 0 - 6.3-12.5 HG3 GLU 112 - HE21 GLN 83 far 0 100 0 - 6.9-11.1 HG2 GLU 112 - HE21 GLN 83 far 0 100 0 - 7.0-10.4 HG2 GLU 112 - HE22 GLN 83 far 0 100 0 - 7.6-11.7 Violated in 0 structures by 0.00 A. Peak 969 from nnoeabs.peaks (2.12, 7.20, 110.45 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.4-3.5 3.5=100 HG3 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.5-4.1 3.5=100 HB VAL 107 - HE21 GLN 83 far 0 100 0 - 5.3-7.7 HB VAL 107 - HE22 GLN 83 far 0 100 0 - 5.7-9.0 HB2 GLU 111 - HE22 GLN 83 far 0 65 0 - 6.9-11.8 HB2 GLU 111 - HE21 GLN 83 far 0 65 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.9 4.4=100 HB2 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.5-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 975 from nnoeabs.peaks (1.42, 7.20, 110.45 ppm; 4.52 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLN 83 + HE22 GLN 83 OK 100 100 100 100 4.2-5.3 4.4=100 HB3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 3.8-4.6 4.4=100 QB ALA 113 + HE22 GLN 83 OK 84 92 100 92 2.8-5.8 5628/3.5=31, 5620/3.5=30...(13) QB ALA 113 + HE21 GLN 83 OK 84 92 100 92 3.6-5.2 5628/3.5=31, 5620/3.5=30...(13) HG3 LYS 106 - HE21 GLN 83 far 0 65 0 - 9.1-12.5 HG3 LYS 17 - HE22 GLN 83 far 0 94 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 976 from nnoeabs.peaks (2.34, 7.20, 110.45 ppm; 3.57 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.4-3.7 3.5=100 HG2 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.1-2.7 3.5=100 HG3 GLU 112 - HE22 GLN 83 far 0 100 0 - 6.3-12.5 HG3 GLU 112 - HE21 GLN 83 far 0 100 0 - 6.9-11.1 HG2 GLU 112 - HE21 GLN 83 far 0 100 0 - 7.0-10.4 HG2 GLU 112 - HE22 GLN 83 far 0 100 0 - 7.6-11.7 Violated in 0 structures by 0.00 A. Peak 977 from nnoeabs.peaks (2.12, 7.20, 110.45 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.5-4.1 3.5=100 HG3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.4-3.5 3.5=100 HB VAL 107 - HE21 GLN 83 far 0 100 0 - 5.3-7.7 HB VAL 107 - HE22 GLN 83 far 0 100 0 - 5.7-9.0 HB2 GLU 111 - HE22 GLN 83 far 0 65 0 - 6.9-11.8 HB2 GLU 111 - HE21 GLN 83 far 0 65 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 85 + HE21 GLN 85 OK 100 100 100 100 3.0-4.6 4.4=100 HB3 GLU 13 - HE21 GLN 85 far 0 84 0 - 8.8-16.6 Violated in 0 structures by 0.00 A. Peak 983 from nnoeabs.peaks (2.04, 7.62, 112.15 ppm; 5.62 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 85 + HE21 GLN 85 OK 100 100 100 100 2.2-4.5 4.4=100 HB2 GLU 89 - HE21 GLN 85 far 0 100 0 - 7.9-13.9 HB3 GLU 89 - HE21 GLN 85 far 0 100 0 - 8.8-13.7 HB3 GLU 87 - HE21 GLN 85 far 0 100 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 984 from nnoeabs.peaks (2.41, 7.62, 112.15 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 85 + HE21 GLN 85 OK 94 100 100 94 2.1-3.6 3.5=83, 5657/4.4=17...(18) HG3 GLN 85 + HE21 GLN 85 OK 94 100 100 94 2.1-3.4 3.5=83, 5658/4.4=17...(18) HB2 ASP 110 - HE21 GLN 85 far 0 94 0 - 7.3-13.7 Violated in 0 structures by 0.00 A. Peak 985 from nnoeabs.peaks (2.40, 7.62, 112.15 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 85 + HE21 GLN 85 OK 94 100 100 94 2.1-3.4 3.5=83, 5658/4.4=17...(18) HG2 GLN 85 + HE21 GLN 85 OK 94 100 100 94 2.1-3.6 3.5=83, 5657/4.4=17...(18) HB2 ASP 110 - HE21 GLN 85 far 0 90 0 - 7.3-13.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 992 from nnoeabs.peaks (2.41, 6.89, 112.15 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 85 + HE22 GLN 85 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 85 + HE22 GLN 85 OK 100 100 100 100 3.4-4.0 3.5=100 HB2 ASP 110 - HE22 GLN 85 far 0 94 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 993 from nnoeabs.peaks (2.40, 6.89, 112.15 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 85 + HE22 GLN 85 OK 100 100 100 100 3.4-4.0 3.5=100 HG2 GLN 85 + HE22 GLN 85 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 ASP 110 - HE22 GLN 85 far 0 90 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 994 from nnoeabs.peaks (7.62, 6.89, 112.15 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 85 + HE22 GLN 85 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 10 - HE22 GLN 85 far 0 70 0 - 6.4-16.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLN 100 + HE21 GLN 100 OK 100 100 100 100 2.0-5.4 4.6=100 HB2 GLU 69 - HE21 GLN 100 poor 17 94 70 25 5.1-9.3 3.0/1000=13, ~1008=12 HB2 MET 67 - HE21 GLN 100 far 0 97 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 1000 from nnoeabs.peaks (2.44, 7.29, 110.23 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 100 + HE21 GLN 100 OK 100 100 100 100 2.1-4.1 3.5=100 HG3 GLU 69 - HE21 GLN 100 poor 16 99 75 21 2.4-9.4 1008/1.7=13, 3.0/998=6 HG3 GLU 98 - HE21 GLN 100 far 0 99 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.8 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 1008 from nnoeabs.peaks (2.44, 6.75, 110.23 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 100 + HE22 GLN 100 OK 100 100 100 100 2.2-4.1 3.5=100 HG3 GLU 69 + HE22 GLN 100 OK 22 99 90 24 2.0-8.8 1000/1.7=12...(4) HG3 GLU 98 - HE22 GLN 100 far 0 99 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.9 4.4=100 HB2 GLN 122 + HE21 GLN 122 OK 100 100 100 100 4.2-5.3 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 1017 from nnoeabs.peaks (2.52, 7.47, 111.55 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + HE21 GLN 122 OK 100 100 100 100 2.4-4.0 3.5=100 HG3 GLN 25 - HE21 GLN 122 poor 20 100 20 - 3.9-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 1025 from nnoeabs.peaks (2.52, 6.83, 111.55 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + HE22 GLN 122 OK 100 100 100 100 2.3-3.7 3.5=100 HG3 GLN 25 - HE22 GLN 122 lone 1 100 40 3 4.8-9.6 7066=1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1030 from nnoeabs.peaks (1.44, 9.08, 127.78 ppm; 3.32 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 4 + H LEU 4 OK 93 100 100 93 2.4-2.9 3.8=64, 3.1/1034=41...(10) HB3 LEU 4 + H LEU 4 OK 93 100 100 93 3.6-3.8 3.8=64, 3.1/1034=41...(10) HG LEU 4 + H LEU 4 OK 67 81 100 83 2.3-4.5 2.1/1034=51, 2.1/2388=41...(6) HG12 ILE 56 - H LEU 4 far 0 92 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 1031 from nnoeabs.peaks (1.44, 9.08, 127.78 ppm; 3.32 A): 3 out of 4 assignments used, quality = 1.00: HB2 LEU 4 + H LEU 4 OK 93 100 100 93 2.4-2.9 3.8=64, 3.1/1034=41...(10) * HB3 LEU 4 + H LEU 4 OK 93 100 100 93 3.6-3.8 3.8=64, 3.1/1034=41...(10) HG LEU 4 + H LEU 4 OK 67 81 100 83 2.3-4.5 2.1/1034=51, 2.1/2388=41...(6) HG12 ILE 56 - H LEU 4 far 0 92 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 1032 from nnoeabs.peaks (1.45, 9.08, 127.78 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.99: * HG LEU 4 + H LEU 4 OK 84 100 100 84 2.3-4.5 2.1/1034=51, 2.1/2388=41...(6) HB2 LEU 4 + H LEU 4 OK 75 81 100 93 2.4-2.9 3.8=64, 3.1/1034=41...(10) HB3 LEU 4 + H LEU 4 OK 75 81 100 92 3.6-3.8 3.8=64, 3.1/1034=41...(10) HB2 LEU 74 - H LEU 4 far 0 77 0 - 7.4-10.5 HB3 LEU 6 - H LEU 4 far 0 97 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 1033 from nnoeabs.peaks (0.64, 9.08, 127.78 ppm; 3.85 A): 2 out of 6 assignments used, quality = 0.99: * QD1 LEU 4 + H LEU 4 OK 98 100 100 98 2.5-4.1 2388=69, 2.1/1034=69...(8) QD1 ILE 5 + H LEU 4 OK 29 65 75 59 3.5-6.0 9009/4=19, 2.1/3=18...(8) QD1 ILE 71 - H LEU 4 poor 16 87 55 34 4.7-6.1 9777/3.8=11, 9777/3.8=11...(6) QD1 ILE 54 - H LEU 4 far 0 97 0 - 7.0-9.7 QD1 ILE 56 - H LEU 4 far 0 61 0 - 7.0-8.2 QG1 VAL 22 - H LEU 4 far 0 99 0 - 9.2-10.7 Violated in 1 structures by 0.01 A. Peak 1034 from nnoeabs.peaks (0.68, 9.08, 127.78 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.97: * QD2 LEU 4 + H LEU 4 OK 97 100 100 97 2.9-4.2 4.4=71, 2.1/2388=60...(7) QG2 ILE 56 - H LEU 4 far 4 73 5 - 5.4-9.5 QD1 LEU 55 - H LEU 4 far 0 98 0 - 6.2-8.7 QD1 ILE 56 - H LEU 4 far 0 70 0 - 7.0-8.2 Violated in 13 structures by 0.11 A. 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): 3 out of 3 assignments used, quality = 1.00: * HA ILE 5 + H ILE 5 OK 100 100 100 100 2.9-2.9 3.0=100 HA ILE 3 + H ILE 5 OK 95 97 100 98 5.5-6.4 2/4.6=84, ~2336=27...(11) HA ILE 54 + H ILE 5 OK 55 84 100 66 5.5-6.4 2410/3.9=21...(8) Violated in 0 structures by 0.00 A. Peak 1037 from nnoeabs.peaks (1.65, 8.77, 123.01 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 5 + H ILE 5 OK 100 100 100 100 2.3-2.9 3.9=100 HB2 ARG 30 - H ILE 5 far 0 96 0 - 7.9-10.0 HB2 GLU 52 - H ILE 5 far 0 92 0 - 8.4-12.3 HG LEU 64 - H ILE 5 far 0 99 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1038 from nnoeabs.peaks (0.84, 8.77, 123.01 ppm; 4.76 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 5 + H ILE 5 OK 100 100 100 100 3.7-4.0 4.0=100 HG13 ILE 5 + H ILE 5 OK 99 99 100 100 2.0-4.1 4.6=100 QG2 ILE 57 - H ILE 5 far 5 100 5 - 6.2-9.2 QG2 VAL 22 - H ILE 5 far 0 84 0 - 6.5-8.5 HG13 ILE 57 - H ILE 5 far 0 65 0 - 6.8-9.3 QG2 ILE 15 - H ILE 5 far 0 98 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 1039 from nnoeabs.peaks (1.81, 8.77, 123.01 ppm; 5.43 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 5 + H ILE 5 OK 100 100 100 100 1.9-4.4 4.6=100 HB ILE 3 + H ILE 5 OK 51 100 80 63 5.5-7.1 ~2336=30, 3.0/1036=23...(4) HB ILE 57 - H ILE 5 far 0 73 0 - 9.3-10.5 HB2 LEU 64 - H ILE 5 far 0 65 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 1040 from nnoeabs.peaks (0.85, 8.77, 123.01 ppm; 4.76 A): 2 out of 8 assignments used, quality = 1.00: * HG13 ILE 5 + H ILE 5 OK 100 100 100 100 2.0-4.1 4.6=100 QG2 ILE 5 + H ILE 5 OK 99 99 100 100 3.7-4.0 4.0=100 QG2 ILE 57 - H ILE 5 far 5 98 5 - 6.2-9.2 QG2 VAL 22 - H ILE 5 far 0 96 0 - 6.5-8.5 HG13 ILE 57 - H ILE 5 far 0 84 0 - 6.8-9.3 QG2 VAL 117 - H ILE 5 far 0 61 0 - 8.0-9.4 QG2 ILE 15 - H ILE 5 far 0 100 0 - 9.5-11.9 QG2 THR 9 - H ILE 5 far 0 70 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 1041 from nnoeabs.peaks (0.62, 8.77, 123.01 ppm; 4.53 A): 3 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + H ILE 5 OK 98 100 100 98 2.4-4.3 5.0=73, 2439/3.9=57...(13) QG1 VAL 78 + H ILE 5 OK 86 94 100 91 3.5-4.6 9888/4.7=30, 2415/3.9=21...(14) QD1 LEU 4 + H ILE 5 OK 64 65 100 98 4.1-4.6 3.8/9=69, 7313=56...(12) QG1 VAL 22 - H ILE 5 far 4 81 5 - 5.9-7.2 QD1 ILE 54 - H ILE 5 far 0 90 0 - 6.6-8.2 QD1 ILE 18 - H ILE 5 far 0 90 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1044 from nnoeabs.peaks (1.51, 9.23, 129.32 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 6 + H LEU 6 OK 99 100 100 99 2.3-2.6 3.9=75, 1.8/1045=72...(15) HG LEU 6 + H LEU 6 OK 85 87 100 97 4.7-4.9 3.0/1045=54, 2.1/1047=37...(10) QB ALA 124 - H LEU 6 far 0 99 0 - 6.9-7.5 HB3 ARG 30 - H LEU 6 far 0 98 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1045 from nnoeabs.peaks (1.46, 9.23, 129.32 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 6 + H LEU 6 OK 99 100 100 99 2.7-3.0 3.9=77, 1.8/1044=40...(18) HG12 ILE 7 - H LEU 6 far 10 100 10 - 4.8-6.3 HG LEU 80 - H LEU 6 far 0 70 0 - 6.0-7.5 HG LEU 4 - H LEU 6 far 0 97 0 - 7.2-8.0 HG12 ILE 57 - H LEU 6 far 0 100 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 1046 from nnoeabs.peaks (1.52, 9.23, 129.32 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 6 + H LEU 6 OK 98 100 100 98 4.7-4.9 2468/1045=57...(10) HB2 LEU 6 + H LEU 6 OK 86 87 100 99 2.3-2.6 3.9=75, 1.8/1045=72...(15) QB ALA 124 - H LEU 6 far 0 73 0 - 6.9-7.5 HB3 ARG 30 - H LEU 6 far 0 98 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1047 from nnoeabs.peaks (0.73, 9.23, 129.32 ppm; 3.64 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 6 + H LEU 6 OK 99 100 100 99 3.7-4.1 2449/3.0=57, 3.1/1045=55...(12) QG2 VAL 78 + H LEU 6 OK 67 92 100 72 3.9-5.0 4.1/9070=32, 2.1/21=23...(8) QD2 LEU 55 - H LEU 6 far 10 100 10 - 4.6-7.7 QG1 VAL 117 - H LEU 6 lone 4 81 25 18 5.0-5.9 10938/4.5=14...(3) QG2 ILE 7 - H LEU 6 far 0 94 0 - 6.1-6.4 QG2 ILE 54 - H LEU 6 far 0 90 0 - 7.2-8.7 QG2 ILE 18 - H LEU 6 far 0 70 0 - 7.4-8.0 QD1 LEU 45 - H LEU 6 far 0 61 0 - 8.7-10.1 HG13 ILE 18 - H LEU 6 far 0 98 0 - 9.2-11.2 QD2 LEU 45 - H LEU 6 far 0 92 0 - 9.8-11.2 Violated in 9 structures by 0.03 A. Peak 1048 from nnoeabs.peaks (0.71, 9.23, 129.32 ppm; 3.64 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 6 + H LEU 6 OK 99 100 100 99 4.1-4.2 2482/1045=60...(11) QG2 VAL 78 + H LEU 6 OK 66 92 100 72 3.9-5.0 4.1/9070=32, 2.1/21=23...(8) QG1 VAL 117 - H LEU 6 poor 6 98 25 26 5.0-5.9 10938/4.5=17...(3) QD2 LEU 81 - H LEU 6 far 0 94 0 - 6.2-7.0 QD1 ILE 57 - H LEU 6 far 0 96 0 - 6.9-9.3 QG2 ILE 18 - H LEU 6 far 0 100 0 - 7.4-8.0 HG13 ILE 18 - H LEU 6 far 0 81 0 - 9.2-11.2 QD2 LEU 45 - H LEU 6 far 0 92 0 - 9.8-11.2 Violated in 19 structures by 0.16 A. 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 2 assignments used, quality = 1.00: * HA ILE 7 + H ILE 7 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 78 - H ILE 7 far 0 77 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 1051 from nnoeabs.peaks (1.89, 8.93, 120.75 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 7 + H ILE 7 OK 100 100 100 100 2.5-2.8 3.9=90, 3.2/1055=57...(10) QE MET 67 - H ILE 7 far 4 87 5 - 4.3-6.8 HB ILE 71 - H ILE 7 far 0 99 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 1052 from nnoeabs.peaks (0.74, 8.93, 120.75 ppm; 3.43 A): 2 out of 11 assignments used, quality = 1.00: * QG2 ILE 7 + H ILE 7 OK 97 100 100 97 3.8-3.9 4.0=61, 2.1/1051=57...(8) QD2 LEU 6 + H ILE 7 OK 88 94 100 94 2.9-4.2 2449/23=45, 2.1/7326=40...(9) QD2 LEU 55 - H ILE 7 poor 19 96 20 - 4.3-6.3 QG2 VAL 78 - H ILE 7 far 0 61 0 - 6.7-7.8 HG13 ILE 18 - H ILE 7 far 0 77 0 - 7.2-9.4 QG2 ILE 54 - H ILE 7 far 0 100 0 - 7.3-9.0 QG2 VAL 32 - H ILE 7 far 0 61 0 - 7.4-8.4 QD1 LEU 63 - H ILE 7 far 0 100 0 - 7.9-9.2 QG1 VAL 107 - H ILE 7 far 0 61 0 - 8.9-10.4 QD2 LEU 14 - H ILE 7 far 0 61 0 - 9.7-10.9 QD1 LEU 45 - H ILE 7 far 0 92 0 - 9.8-11.1 Violated in 10 structures by 0.03 A. Peak 1053 from nnoeabs.peaks (1.46, 8.93, 120.75 ppm; 3.73 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 6 + H ILE 7 OK 99 100 100 99 3.6-4.1 3.0/23=67, 2482/28=67...(11) * HG12 ILE 7 + H ILE 7 OK 99 100 100 99 3.7-4.8 2.1/1055=71, 1.8/1054=57...(12) HG12 ILE 57 + H ILE 7 OK 27 100 35 76 4.2-6.8 4.2/9078=31, 2.1/9581=29...(9) HG LEU 80 - H ILE 7 far 0 65 0 - 5.4-8.2 HG3 ARG 30 - H ILE 7 far 0 97 0 - 8.5-11.4 HG LEU 4 - H ILE 7 far 0 96 0 - 8.5-10.8 HB3 LEU 38 - H ILE 7 far 0 100 0 - 9.4-10.5 Violated in 1 structures by 0.00 A. Peak 1054 from nnoeabs.peaks (1.25, 8.93, 120.75 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + H ILE 7 OK 100 100 100 100 2.6-4.5 2.1/1055=86, 2514=78...(8) Violated in 2 structures by 0.01 A. Peak 1055 from nnoeabs.peaks (0.77, 8.93, 120.75 ppm; 3.43 A): 1 out of 10 assignments used, quality = 0.98: * QD1 ILE 7 + H ILE 7 OK 98 100 100 98 2.5-3.7 2.1/1054=45, 3.2/1051=44...(11) QD1 LEU 80 - H ILE 7 poor 19 96 20 - 4.4-6.9 QD2 LEU 80 - H ILE 7 poor 19 94 20 - 4.1-7.9 QD2 LEU 64 - H ILE 7 lone 6 73 45 18 4.3-7.4 10953/4.6=8, 10954/4.6=7 QD1 ILE 15 - H ILE 7 far 0 100 0 - 6.7-9.0 QD1 LEU 82 - H ILE 7 far 0 90 0 - 6.7-8.8 QG2 VAL 32 - H ILE 7 far 0 99 0 - 7.4-8.4 QG1 VAL 107 - H ILE 7 far 0 99 0 - 8.9-10.4 QD2 LEU 14 - H ILE 7 far 0 99 0 - 9.7-10.9 QD1 LEU 45 - H ILE 7 far 0 84 0 - 9.8-11.1 Violated in 9 structures by 0.07 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1058 from nnoeabs.peaks (2.89, 8.63, 125.54 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASN 8 + H ASN 8 OK 98 100 100 98 2.5-3.0 4.0=88, 38/4.6=34...(5) HB2 ASN 10 - H ASN 8 far 0 77 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.5 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1064 from nnoeabs.peaks (4.32, 8.04, 118.49 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 9 + H THR 9 OK 100 100 100 100 3.2-3.9 4.0=100 HA PHE 93 - H LYS 65 far 0 41 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 1065 from nnoeabs.peaks (0.86, 8.04, 118.49 ppm; 3.11 A): 1 out of 11 assignments used, quality = 0.64: * QG2 THR 9 + H THR 9 OK 64 100 100 64 1.9-2.4 3.9=49, 9123/3.6=18, 4.0/1858=15 QG2 ILE 15 - H THR 9 far 0 73 0 - 4.9-6.4 QD1 LEU 14 - H THR 9 far 0 99 0 - 6.3-7.3 HG13 ILE 57 - H THR 9 far 0 99 0 - 6.4-9.3 QG1 VAL 32 - H LYS 65 far 0 77 0 - 7.1-7.9 QG2 VAL 117 - H THR 9 far 0 100 0 - 7.4-8.6 QD2 LEU 90 - H THR 9 far 0 61 0 - 8.4-9.5 QG1 VAL 32 - H THR 9 far 0 99 0 - 8.8-9.8 QG2 VAL 107 - H THR 9 far 0 99 0 - 9.0-10.7 QG2 THR 9 - H LYS 65 far 0 79 0 - 9.8-10.7 QG2 VAL 22 - H THR 9 far 0 94 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1068 from nnoeabs.peaks (2.91, 8.44, 123.27 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 10 + H ASN 10 OK 100 100 100 100 2.3-2.7 4.0=100 HB2 ASN 8 - H ASN 10 far 0 77 0 - 6.3-7.1 HE3 LYS 17 - H ASN 10 far 0 98 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.7 4.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ASN 11 + H ASN 11 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 59 - H ASN 11 far 0 65 0 - 5.7-6.8 Violated in 0 structures by 0.00 A. Peak 1074 from nnoeabs.peaks (3.03, 8.37, 120.92 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.96: * HB2 ASN 11 + H ASN 11 OK 96 100 100 96 2.2-3.0 1.8/1075=69, 4.1=53...(10) Violated in 0 structures by 0.00 A. Peak 1075 from nnoeabs.peaks (2.74, 8.37, 120.92 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.96: * HB3 ASN 11 + H ASN 11 OK 96 100 100 96 2.4-3.5 1.8/1074=73, 4.1=56...(9) Violated in 4 structures by 0.03 A. Peak 1076 from nnoeabs.peaks (7.33, 8.37, 120.92 ppm; 4.69 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 11 + H ASN 11 OK 99 100 100 99 3.4-5.0 3.5/1074=81, 3.5/1075=80...(6) HD22 ASN 11 + H ASN 11 OK 99 100 100 99 4.5-6.0 3.5/1074=81, 3.5/1075=80...(5) Violated in 7 structures by 0.01 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1080 from nnoeabs.peaks (2.64, 8.59, 126.31 ppm; 2.93 A): 2 out of 2 assignments used, quality = 0.90: * HB2 ASP 12 + H ASP 12 OK 68 100 100 68 2.3-3.6 4.0=40, 1.8/2598=24...(5) HB3 ASP 12 + H ASP 12 OK 68 100 100 68 2.9-3.6 4.0=40, 1.8/2598=24...(5) Violated in 0 structures by 0.00 A. Peak 1081 from nnoeabs.peaks (2.64, 8.59, 126.31 ppm; 2.93 A): 2 out of 2 assignments used, quality = 0.90: HB2 ASP 12 + H ASP 12 OK 68 100 100 68 2.3-3.6 4.0=40, 1.8/2598=24...(5) * HB3 ASP 12 + H ASP 12 OK 68 100 100 68 2.9-3.6 4.0=40, 1.8/2598=24...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1084 from nnoeabs.peaks (2.06, 8.29, 119.33 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 13 + H GLU 13 OK 100 100 100 100 3.5-3.6 2612=94, 1.8/1085=78...(13) Violated in 20 structures by 0.15 A. Peak 1085 from nnoeabs.peaks (2.16, 8.29, 119.33 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 13 + H GLU 13 OK 100 100 100 100 2.2-2.8 2618=73, 1.8/1084=62...(16) Violated in 0 structures by 0.00 A. Peak 1086 from nnoeabs.peaks (2.36, 8.29, 119.33 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 13 + H GLU 13 OK 100 100 100 100 2.1-3.8 2624=100, 1.8/1087=81...(15) Violated in 1 structures by 0.00 A. Peak 1087 from nnoeabs.peaks (2.31, 8.29, 119.33 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 13 + H GLU 13 OK 100 100 100 100 2.2-3.5 2630=71, 2633/1085=65...(13) Violated in 3 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 14 + H LEU 14 OK 100 100 100 100 2.7-2.9 3.0=100 HA LYS 17 - H LEU 14 far 0 97 0 - 6.8-7.4 HA GLU 111 - H LEU 14 far 0 100 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 1090 from nnoeabs.peaks (1.82, 7.58, 121.68 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LEU 14 + H LEU 14 OK 98 100 100 98 2.2-3.5 4.0=56, 1.8/1091=53...(15) HB ILE 18 - H LEU 14 far 0 100 0 - 6.0-7.4 HB3 LYS 19 - H LEU 14 far 0 90 0 - 8.4-9.2 HB ILE 57 - H LEU 14 far 0 100 0 - 8.9-11.8 Violated in 15 structures by 0.08 A. Peak 1091 from nnoeabs.peaks (1.50, 7.58, 121.68 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LEU 14 + H LEU 14 OK 99 100 100 99 2.1-3.5 1.8/1090=71, 4.0=57...(15) HD3 LYS 17 + H LEU 14 OK 33 61 65 82 3.9-5.8 3.7/9162=29, 1.8/2860=19...(13) HG2 LYS 20 - H LEU 14 far 0 96 0 - 9.0-13.0 Violated in 2 structures by 0.01 A. Peak 1092 from nnoeabs.peaks (1.38, 7.58, 121.68 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.99: * HG LEU 14 + H LEU 14 OK 99 100 100 99 4.0-4.4 3.0/1090=71, 3.0/1091=53...(9) HG3 LYS 16 - H LEU 14 poor 12 65 35 53 4.4-6.6 11425/3.6=28...(4) HB3 LEU 114 - H LEU 14 far 0 61 0 - 5.8-9.5 Violated in 20 structures by 0.20 A. Peak 1093 from nnoeabs.peaks (0.86, 7.58, 121.68 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 14 + H LEU 14 OK 100 100 100 100 3.5-4.0 4.3=62, 3.1/1090=61...(14) QG2 THR 9 + H LEU 14 OK 88 99 100 88 3.5-4.8 9125/1863=39...(11) QG2 ILE 15 - H LEU 14 far 0 87 0 - 5.6-6.2 QG2 ILE 57 - H LEU 14 far 0 61 0 - 6.4-8.3 QG2 VAL 117 - H LEU 14 far 0 98 0 - 7.8-8.9 QG2 VAL 107 - H LEU 14 far 0 94 0 - 8.1-10.0 HG13 ILE 57 - H LEU 14 far 0 100 0 - 9.4-12.6 QG2 VAL 22 - H LEU 14 far 0 99 0 - 9.9-10.5 Violated in 1 structures by 0.00 A. Peak 1094 from nnoeabs.peaks (0.76, 7.58, 121.68 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 14 + H LEU 14 OK 100 100 100 100 2.1-2.8 4.3=63, 3.1/1090=61...(17) QD1 ILE 15 + H LEU 14 OK 56 100 60 94 4.5-5.4 2713/1863=49...(14) QG2 ILE 7 - H LEU 14 far 0 61 0 - 6.3-7.4 QG1 VAL 107 - H LEU 14 far 0 100 0 - 7.7-9.2 QD1 ILE 7 - H LEU 14 far 0 99 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1097 from nnoeabs.peaks (1.92, 8.24, 119.48 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.99: * HB ILE 15 + H ILE 15 OK 99 100 100 99 2.7-3.0 3.8=60, 77/1864=53...(12) HB3 LYS 17 - H ILE 15 poor 18 97 30 62 4.6-6.6 7979/3.6=30, 4.0/68=16...(6) HB2 LEU 81 - H ILE 15 far 0 99 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1098 from nnoeabs.peaks (0.85, 8.24, 119.48 ppm; 3.35 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + H ILE 15 OK 99 100 100 99 3.7-3.8 2.1/1097=57, 4.1=56...(13) QD1 LEU 14 + H ILE 15 OK 83 87 100 95 4.4-4.6 3.1/71=45, 4.3/1863=34...(13) QG2 THR 9 + H ILE 15 OK 63 73 100 86 2.4-3.9 9125=25, 9116/1099=24...(14) QG2 ILE 57 - H ILE 15 far 15 97 15 - 4.5-6.5 QG2 VAL 117 - H ILE 15 far 0 65 0 - 6.9-8.6 HG13 ILE 57 - H ILE 15 far 0 87 0 - 7.3-9.9 QG2 VAL 22 - H ILE 15 far 0 97 0 - 8.3-9.1 QG2 ILE 5 - H ILE 15 far 0 98 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 1099 from nnoeabs.peaks (1.73, 8.24, 119.48 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 15 + H ILE 15 OK 100 100 100 100 1.6-1.9 1.8/1100=68, 2699=59...(13) HB2 LEU 114 - H ILE 15 far 0 94 0 - 6.9-10.5 Violated in 0 structures by 0.00 A. Peak 1100 from nnoeabs.peaks (0.64, 8.24, 119.48 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 15 + H ILE 15 OK 100 100 100 100 2.4-3.4 1.8/1099=78, 2.1/2713=62...(14) QG1 VAL 22 - H ILE 15 far 0 100 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 1101 from nnoeabs.peaks (0.76, 8.24, 119.48 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 15 + H ILE 15 OK 100 100 100 100 2.9-3.6 2713=60, 2.1/1099=60...(14) QD2 LEU 14 + H ILE 15 OK 93 100 100 93 4.1-4.5 3.1/71=44, 4.3/1863=33...(12) QD1 ILE 7 - H ILE 15 far 0 100 0 - 7.2-9.1 QG1 VAL 107 - H ILE 15 far 0 100 0 - 8.5-9.9 Violated in 15 structures by 0.04 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA LYS 16 + H LYS 16 OK 100 100 100 100 2.8-2.8 3.0=100 HA2 GLY 75 + H LEU 74 OK 30 92 45 72 4.5-5.3 3.0/462=51, 3.6/9827=27 Violated in 0 structures by 0.00 A. Peak 1104 from nnoeabs.peaks (1.88, 7.60, 117.60 ppm; 2.85 A): 4 out of 10 assignments used, quality = 1.00: HB3 LYS 16 + H LYS 16 OK 93 100 100 93 2.9-3.6 3.0/1106=42, 4.0=35...(12) * HB2 LYS 16 + H LYS 16 OK 93 100 100 93 2.8-3.5 3.0/1106=42, 4.0=35...(12) HB3 LYS 73 + H LEU 74 OK 59 75 100 78 3.1-4.1 4.3=28, 2.9/456=27...(8) HB2 LYS 73 + H LEU 74 OK 53 71 95 78 2.5-4.4 4.3=28, 2.9/456=27...(8) HB ILE 71 - H LEU 74 far 0 68 0 - 4.9-5.5 QE MET 42 - H LEU 74 far 0 75 0 - 5.4-8.7 HB3 LYS 20 - H LYS 16 far 0 92 0 - 7.1-9.5 HB2 LYS 20 - H LYS 16 far 0 92 0 - 7.9-9.1 HG LEU 45 - H LEU 74 far 0 97 0 - 8.1-10.5 HB ILE 7 - H LYS 16 far 0 87 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 1105 from nnoeabs.peaks (1.88, 7.60, 117.60 ppm; 2.85 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 16 + H LYS 16 OK 93 100 100 93 2.9-3.6 3.0/1106=42, 4.0=35...(12) HB2 LYS 16 + H LYS 16 OK 93 100 100 93 2.8-3.5 3.0/1106=42, 4.0=35...(12) HB3 LYS 73 + H LEU 74 OK 61 78 100 78 3.1-4.1 4.3=28, 2.9/456=27...(8) HB2 LYS 73 + H LEU 74 OK 56 75 95 78 2.5-4.4 4.3=28, 2.9/456=27...(8) HB ILE 71 - H LEU 74 far 0 71 0 - 4.9-5.5 QE MET 42 - H LEU 74 far 0 71 0 - 5.4-8.7 HB3 LYS 20 - H LYS 16 far 0 94 0 - 7.1-9.5 HB2 LYS 20 - H LYS 16 far 0 94 0 - 7.9-9.1 HG LEU 45 - H LEU 74 far 0 97 0 - 8.1-10.5 HB ILE 7 - H LYS 16 far 0 90 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 1106 from nnoeabs.peaks (1.63, 7.60, 117.60 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.98: * HG2 LYS 16 + H LYS 16 OK 98 100 100 98 1.6-3.2 2750=49, 1.8/1107=49...(18) Violated in 5 structures by 0.05 A. Peak 1107 from nnoeabs.peaks (1.40, 7.60, 117.60 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 16 + H LYS 16 OK 100 100 100 100 1.6-3.4 1.8/1106=90, 2760=72...(19) HG LEU 14 - H LYS 16 far 0 65 0 - 7.3-8.0 HB3 LEU 114 - H LYS 16 far 0 100 0 - 7.5-10.5 QB ALA 113 - H LYS 16 far 0 81 0 - 8.1-9.2 HB3 LEU 68 - H LEU 74 far 0 71 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 1108 from nnoeabs.peaks (1.69, 7.60, 117.60 ppm; 3.04 A): 4 out of 11 assignments used, quality = 1.00: * HD2 LYS 16 + H LYS 16 OK 96 100 100 96 2.3-4.3 2.9/1106=49, 2.9/1107=38...(19) HD3 LYS 16 + H LYS 16 OK 96 100 100 96 2.0-4.4 2.9/1106=49, 2.9/1107=38...(21) HG LEU 74 + H LEU 74 OK 53 60 100 88 2.1-4.2 2.1/5248=39, 2.1/5241=33...(14) HD2 LYS 73 + H LEU 74 OK 26 97 35 76 3.1-5.9 3.0/456=30, 3.0/457=19...(12) HD3 LYS 73 - H LEU 74 poor 19 97 20 - 2.8-6.1 HD2 LYS 17 - H LYS 16 far 0 99 0 - 5.6-7.4 HG12 ILE 71 - H LEU 74 far 0 91 0 - 5.7-6.9 HD3 LYS 20 - H LYS 16 far 0 100 0 - 6.3-10.0 HD3 LYS 43 - H LEU 74 far 0 97 0 - 6.8-10.4 HD2 LYS 20 - H LYS 16 far 0 100 0 - 7.4-11.2 HD2 LYS 43 - H LEU 74 far 0 92 0 - 7.6-11.9 Violated in 1 structures by 0.00 A. Peak 1109 from nnoeabs.peaks (1.69, 7.60, 117.60 ppm; 3.04 A): 4 out of 11 assignments used, quality = 1.00: * HD3 LYS 16 + H LYS 16 OK 96 100 100 96 2.0-4.4 2.9/1106=49, 2.9/1107=38...(21) HD2 LYS 16 + H LYS 16 OK 96 100 100 96 2.3-4.3 2.9/1106=49, 2.9/1107=38...(19) HG LEU 74 + H LEU 74 OK 64 71 100 89 2.1-4.2 2.1/5248=39, 2.1/5241=33...(14) HD2 LYS 73 + H LEU 74 OK 26 96 35 77 3.1-5.9 3.0/456=30, 3.0/457=19...(12) HD3 LYS 73 - H LEU 74 poor 19 95 20 - 2.8-6.1 HD2 LYS 17 - H LYS 16 far 0 96 0 - 5.6-7.4 HG12 ILE 71 - H LEU 74 far 0 95 0 - 5.7-6.9 HD3 LYS 20 - H LYS 16 far 0 100 0 - 6.3-10.0 HD3 LYS 43 - H LEU 74 far 0 95 0 - 6.8-10.4 HD2 LYS 20 - H LYS 16 far 0 100 0 - 7.4-11.2 HD2 LYS 43 - H LEU 74 far 0 86 0 - 7.6-11.9 Violated in 1 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA LYS 17 + H LYS 17 OK 100 100 100 100 2.8-2.8 3.0=100 HA LEU 14 + H LYS 17 OK 93 97 100 95 3.5-4.1 7976=34, 7977/1114=33...(17) HA GLU 111 - H LYS 17 far 0 99 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 1114 from nnoeabs.peaks (1.99, 7.58, 118.83 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LYS 17 + H LYS 17 OK 99 100 100 99 2.2-3.6 1.8/1115=59, 4.0=58...(17) Violated in 17 structures by 0.16 A. Peak 1115 from nnoeabs.peaks (1.92, 7.58, 118.83 ppm; 3.19 A): 2 out of 2 assignments used, quality = 0.99: * HB3 LYS 17 + H LYS 17 OK 99 100 100 99 2.1-3.6 1.8/1114=64, 4.0=49...(17) HB ILE 15 + H LYS 17 OK 27 97 40 70 4.6-5.0 77/1865=64, 3.8/68=16 Violated in 3 structures by 0.04 A. Peak 1116 from nnoeabs.peaks (1.75, 7.58, 118.83 ppm; 3.41 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + H LYS 17 OK 99 100 100 99 2.0-4.2 1.8/1117=62, 3.0/1114=54...(18) HG12 ILE 18 + H LYS 17 OK 25 92 45 61 4.3-6.4 4.6/92=32, 2824/1114=15...(6) HB2 LEU 114 - H LYS 17 far 0 57 0 - 5.1-8.9 Violated in 3 structures by 0.05 A. Peak 1117 from nnoeabs.peaks (1.43, 7.58, 118.83 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 17 + H LYS 17 OK 100 100 100 100 2.0-4.0 1.8/1116=65, 2850=65...(15) QB ALA 113 - H LYS 17 far 0 61 0 - 7.2-8.4 Violated in 12 structures by 0.07 A. Peak 1118 from nnoeabs.peaks (1.68, 7.58, 118.83 ppm; 4.14 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + H LYS 17 OK 100 100 100 100 3.6-5.0 2862/1114=69...(19) HD2 LYS 16 + H LYS 17 OK 98 99 100 99 4.6-5.3 2.9/87=59, 2.9/86=58...(8) HD3 LYS 16 + H LYS 17 OK 95 96 100 99 4.6-5.6 2.9/87=59, 2.9/86=58...(9) HD3 LYS 20 - H LYS 17 poor 20 98 20 - 5.5-8.2 HD2 LYS 20 - H LYS 17 far 0 97 0 - 6.3-9.4 Violated in 1 structures by 0.00 A. Peak 1119 from nnoeabs.peaks (1.52, 7.58, 118.83 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + H LYS 17 OK 100 100 100 100 3.6-5.4 3.0/1117=69, 3.7/1114=64...(17) HG2 LYS 20 + H LYS 17 OK 48 90 60 90 4.5-8.5 11542/3.0=46, ~11543=37...(11) HB3 LEU 14 - H LYS 17 poor 19 61 35 88 5.2-6.1 3.0/1988=38, 3.1/2664=29...(8) Violated in 6 structures by 0.03 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1124 from nnoeabs.peaks (1.82, 8.79, 120.96 ppm; 3.11 A): 2 out of 5 assignments used, quality = 0.98: * HB ILE 18 + H ILE 18 OK 97 100 100 97 2.1-2.7 2907=59, 3.2/1128=37...(14) HB3 LYS 19 + H ILE 18 OK 22 84 55 49 4.3-4.8 4.0/102=31, 4.4/2002=17...(4) HB2 LEU 14 - H ILE 18 poor 16 100 25 66 4.3-5.7 3.1/9185=18, 3.0/7981=17...(10) QE MET 121 - H ILE 18 far 0 94 0 - 7.8-12.9 HB ILE 57 - H ILE 18 far 0 100 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 1125 from nnoeabs.peaks (0.72, 8.79, 120.96 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 18 + H ILE 18 OK 98 100 100 98 3.4-3.8 4.0=53, 2.1/2907=53...(12) HG13 ILE 18 + H ILE 18 OK 87 90 100 97 3.1-4.4 2.1/1128=54, 2.9/2907=45...(13) QD1 ILE 57 - H ILE 18 far 0 90 0 - 5.1-6.8 QD2 LEU 81 - H ILE 18 far 0 87 0 - 5.4-6.7 QG1 VAL 117 - H ILE 18 far 0 100 0 - 5.7-7.4 QD2 LEU 55 - H ILE 18 far 0 65 0 - 5.7-8.0 Violated in 12 structures by 0.04 A. Peak 1126 from nnoeabs.peaks (1.76, 8.79, 120.96 ppm; 3.24 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 18 + H ILE 18 OK 99 100 100 99 1.8-3.4 2.1/1128=53, 2.9/2907=44...(19) HG2 LYS 17 + H ILE 18 OK 70 92 85 89 2.1-5.2 3.0/95=42, 3.0/94=41...(7) HB2 LEU 55 - H ILE 18 far 0 99 0 - 9.2-11.1 Violated in 1 structures by 0.00 A. Peak 1127 from nnoeabs.peaks (0.73, 8.79, 120.96 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 18 + H ILE 18 OK 98 100 100 98 3.1-4.4 2.1/1128=54, 2.9/2907=45...(14) QG2 ILE 18 + H ILE 18 OK 88 90 100 98 3.4-3.8 4.0=53, 2.1/2907=53...(13) QG2 ILE 7 - H ILE 18 far 0 77 0 - 5.4-6.3 QG1 VAL 117 - H ILE 18 far 0 96 0 - 5.7-7.4 QD2 LEU 55 - H ILE 18 far 0 97 0 - 5.7-8.0 Violated in 12 structures by 0.04 A. Peak 1128 from nnoeabs.peaks (0.61, 8.79, 120.96 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 18 + H ILE 18 OK 100 100 100 100 3.0-3.8 2935=72, 2906/3.0=55...(18) QD1 ILE 5 - H ILE 18 far 0 90 0 - 9.1-12.2 Violated in 7 structures by 0.01 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1131 from nnoeabs.peaks (1.79, 8.53, 118.32 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.96: * HB2 LYS 19 + H LYS 19 OK 96 100 100 96 3.4-3.6 4.0=50, 111/109=38...(11) Violated in 20 structures by 0.32 A. Peak 1132 from nnoeabs.peaks (1.83, 8.53, 118.32 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 19 + H LYS 19 OK 99 100 100 99 2.1-2.5 1.8/1131=73, 4.0=55...(14) HB ILE 18 + H LYS 19 OK 78 84 100 93 2.5-3.2 4.5=40, 3.9/102=35...(14) HB2 LEU 14 - H LYS 19 far 0 90 0 - 5.9-7.6 HB ILE 57 - H LYS 19 far 0 90 0 - 6.9-8.7 QE MET 121 - H LYS 19 far 0 99 0 - 7.6-12.5 Violated in 0 structures by 0.00 A. Peak 1133 from nnoeabs.peaks (1.10, 8.53, 118.32 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + H LYS 19 OK 100 100 100 100 3.6-4.3 3.0/1131=81, 1.8/2982=66...(18) Violated in 0 structures by 0.00 A. Peak 1134 from nnoeabs.peaks (1.60, 8.53, 118.32 ppm; 3.42 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 19 + H LYS 19 OK 98 100 100 98 2.3-4.4 3.0/1131=57, 1.8/1133=48...(19) HD2 LYS 19 + H LYS 19 OK 98 100 100 98 2.9-4.7 3.6/1131=47, 3.0/1133=39...(22) HD3 LYS 19 + H LYS 19 OK 88 100 90 98 3.3-5.2 3.6/1131=47, 3.0/1133=39...(21) Violated in 0 structures by 0.00 A. Peak 1137 from nnoeabs.peaks (2.70, 8.53, 118.32 ppm; 5.91 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 19 + H LYS 19 OK 100 100 100 100 2.2-6.5 4.0/1133=84, 5.0/1131=84...(19) HE3 LYS 19 + H LYS 19 OK 100 100 100 100 2.8-6.0 4.0/1133=84, 5.0/1131=84...(20) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1141 from nnoeabs.peaks (1.89, 7.30, 116.28 ppm; 2.79 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 20 + H LYS 20 OK 96 100 100 96 2.8-3.6 3.9=36, 2.9/1144=30...(25) HB3 LYS 20 + H LYS 20 OK 96 100 100 96 2.1-3.6 3.9=36, 2.9/1144=30...(25) HB2 LYS 16 - H LYS 20 far 0 92 0 - 5.3-6.1 HB3 LYS 16 - H LYS 20 far 0 94 0 - 5.7-6.3 HB3 ARG 118 - H LYS 20 far 0 61 0 - 9.2-12.8 HB ILE 7 - H LYS 20 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1142 from nnoeabs.peaks (1.89, 7.30, 116.28 ppm; 2.79 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 20 + H LYS 20 OK 96 100 100 96 2.8-3.6 3.9=36, 2.9/1144=30...(25) * HB3 LYS 20 + H LYS 20 OK 96 100 100 96 2.1-3.6 3.9=36, 2.9/1144=30...(25) HB2 LYS 16 - H LYS 20 far 0 92 0 - 5.3-6.1 HB3 LYS 16 - H LYS 20 far 0 94 0 - 5.7-6.3 HB3 ARG 118 - H LYS 20 far 0 61 0 - 9.2-12.8 HB ILE 7 - H LYS 20 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1143 from nnoeabs.peaks (1.51, 7.30, 116.28 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 20 + H LYS 20 OK 100 100 100 100 1.8-4.3 1.8/1144=77, 3063/3.0=70...(24) HD3 LYS 17 - H LYS 20 far 0 90 0 - 7.3-8.3 HB3 LEU 14 - H LYS 20 far 0 96 0 - 8.7-10.3 Violated in 8 structures by 0.08 A. Peak 1144 from nnoeabs.peaks (1.48, 7.30, 116.28 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 20 + H LYS 20 OK 100 100 100 100 2.4-4.4 1.8/1143=72, 3037/3.0=67...(24) HG3 ARG 118 - H LYS 20 far 0 97 0 - 7.9-14.1 HG12 ILE 57 - H LYS 20 far 0 73 0 - 8.4-10.6 HG12 ILE 7 - H LYS 20 far 0 70 0 - 8.7-11.5 Violated in 8 structures by 0.17 A. Peak 1145 from nnoeabs.peaks (1.69, 7.30, 116.28 ppm; 4.52 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 20 + H LYS 20 OK 100 100 100 100 2.5-5.9 3.0/1144=76, 3.0/1143=74...(27) HD3 LYS 20 + H LYS 20 OK 100 100 100 100 2.4-5.1 3.0/1144=76, 3.0/1143=74...(28) HD2 LYS 16 - H LYS 20 far 0 100 0 - 6.9-8.7 HD3 LYS 16 - H LYS 20 far 0 100 0 - 7.0-8.8 HD2 LYS 17 - H LYS 20 far 0 97 0 - 7.4-8.1 Violated in 8 structures by 0.02 A. 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 100 100 100 100 2.7-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 1151 from nnoeabs.peaks (2.12, 7.67, 118.49 ppm; 3.11 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 21 + H GLU 21 OK 97 100 100 97 2.3-3.6 3128=69, 1.8/1152=57...(15) HG2 GLU 21 + H GLU 21 OK 86 92 100 93 1.9-4.3 3.0/3128=42, 3.0/1152=42...(15) HG3 GLU 21 + H GLU 21 OK 81 87 100 93 2.8-4.6 3.0/3128=42, 3.0/1152=42...(15) Violated in 0 structures by 0.00 A. Peak 1152 from nnoeabs.peaks (1.97, 7.67, 118.49 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 21 + H GLU 21 OK 99 100 100 99 2.1-3.6 3134=76, 1.8/3128=73...(13) HB VAL 22 - H GLU 21 far 0 90 0 - 6.5-6.6 Violated in 11 structures by 0.02 A. Peak 1153 from nnoeabs.peaks (2.11, 7.67, 118.49 ppm; 3.10 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 21 + H GLU 21 OK 94 100 100 94 1.9-4.3 3.0/3128=42, 3.0/1152=42...(15) HG3 GLU 21 + H GLU 21 OK 94 100 100 94 2.8-4.6 3.0/3128=42, 3.0/1152=42...(15) HB2 GLU 21 + H GLU 21 OK 88 92 100 96 2.3-3.6 3128=61, 1.8/1152=56...(15) Violated in 0 structures by 0.00 A. Peak 1154 from nnoeabs.peaks (2.10, 7.67, 118.49 ppm; 3.10 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 21 + H GLU 21 OK 94 100 100 94 2.8-4.6 3.0/3128=42, 3.0/1152=42...(15) HG2 GLU 21 + H GLU 21 OK 94 100 100 94 1.9-4.3 3.0/3128=42, 3.0/1152=42...(15) HB2 GLU 21 + H GLU 21 OK 83 87 100 96 2.3-3.6 1.8/1152=56, 3128=56...(15) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1169 from nnoeabs.peaks (4.13, 8.02, 106.37 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 26 + H GLY 26 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 22 + H GLY 26 OK 48 98 55 89 5.5-7.5 11450/4.6=66...(4) HA GLN 122 - H GLY 26 far 0 94 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1173 from nnoeabs.peaks (2.37, 7.84, 119.08 ppm; 5.75 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 27 + H TYR 27 OK 100 100 100 100 2.3-3.8 3.9=100 HG2 GLN 25 + H TYR 27 OK 51 92 100 56 5.0-7.2 3279/4.4=27...(3) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1180 from nnoeabs.peaks (2.06, 8.34, 120.36 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 28 + H GLN 28 OK 100 100 100 100 2.2-3.7 4.0=90, 1.8/1181=81...(6) HG3 GLU 52 - H GLN 28 far 3 65 5 - 5.0-9.9 HB3 MET 121 - H GLN 28 far 0 77 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 1181 from nnoeabs.peaks (1.78, 8.34, 120.36 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLN 28 + H GLN 28 OK 99 100 100 99 2.2-3.7 4.0=74, 1.8/1180=66...(9) HB2 LYS 19 - H GLN 28 far 0 99 0 - 8.5-11.0 Violated in 1 structures by 0.00 A. Peak 1182 from nnoeabs.peaks (2.24, 8.34, 120.36 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.99: * HG2 GLN 28 + H GLN 28 OK 99 100 100 99 3.1-3.9 1.8/1183=73, 3.0/1181=60...(6) Violated in 13 structures by 0.03 A. Peak 1183 from nnoeabs.peaks (2.20, 8.34, 120.36 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: * HG3 GLN 28 + H GLN 28 OK 99 100 100 99 2.5-3.9 1.8/1182=77, 3.0/1181=62...(6) Violated in 5 structures by 0.01 A. 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 2 assignments used, quality = 1.00: * HA VAL 29 + H VAL 29 OK 100 100 100 100 2.8-2.9 3.0=100 HA ILE 56 - H VAL 29 far 0 81 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 1188 from nnoeabs.peaks (1.95, 8.78, 123.48 ppm; 3.20 A): 1 out of 2 assignments used, quality = 0.96: * HB VAL 29 + H VAL 29 OK 96 100 100 96 2.1-3.5 3329=81, 2.1/1189=62 HB3 GLU 52 - H VAL 29 far 0 100 0 - 8.6-13.5 Violated in 2 structures by 0.03 A. Peak 1189 from nnoeabs.peaks (0.90, 8.78, 123.48 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.96: * QG2 VAL 29 + H VAL 29 OK 96 100 100 96 1.8-3.3 2.1/1188=65, 3334=63...(6) HG13 ILE 54 - H VAL 29 far 0 77 0 - 7.2-8.6 Violated in 4 structures by 0.01 A. Peak 1190 from nnoeabs.peaks (0.80, 8.78, 123.48 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 29 + H VAL 29 OK 100 100 100 100 3.0-3.9 4.0=93, 2.1/1188=86...(5) Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1193 from nnoeabs.peaks (1.65, 9.13, 127.79 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 30 + H ARG 30 OK 100 100 100 100 3.0-3.8 4.0=100 HB ILE 5 - H ARG 30 far 0 96 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 1194 from nnoeabs.peaks (1.51, 9.13, 127.79 ppm; 3.79 A): 2 out of 3 assignments used, quality = 0.98: * HB3 ARG 30 + H ARG 30 OK 95 100 100 95 2.3-2.9 4.0=82, 2.8/1196=33...(8) HG2 ARG 30 + H ARG 30 OK 55 70 100 80 2.8-4.9 4.9=46, 1.8/1196=40...(5) HB2 LEU 6 - H ARG 30 far 0 98 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1195 from nnoeabs.peaks (1.50, 9.13, 127.79 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.93: * HG2 ARG 30 + H ARG 30 OK 82 100 100 82 2.8-4.9 4.9=44, 1.8/1196=40...(5) HB3 ARG 30 + H ARG 30 OK 63 70 100 91 2.3-2.9 4.0=79, 2.8/1196=32...(8) HD2 LYS 53 - H ARG 30 far 0 70 0 - 9.6-13.5 HB2 LEU 6 - H ARG 30 far 0 90 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1196 from nnoeabs.peaks (1.45, 9.13, 127.79 ppm; 3.78 A): 2 out of 8 assignments used, quality = 0.98: * HG3 ARG 30 + H ARG 30 OK 90 100 100 90 2.1-4.7 4.9=45, 1.8/1195=42...(7) HG12 ILE 57 + H ARG 30 OK 76 96 100 80 2.3-4.4 1373/9250=33...(9) HG LEU 4 - H ARG 30 far 0 100 0 - 7.3-11.2 HG12 ILE 7 - H ARG 30 far 0 97 0 - 7.7-10.7 HB3 LEU 4 - H ARG 30 far 0 77 0 - 7.8-9.1 HB2 LEU 4 - H ARG 30 far 0 77 0 - 9.5-10.9 HG3 LYS 44 - H ARG 30 far 0 81 0 - 10.0-12.5 HB3 LEU 38 - H ARG 30 far 0 94 0 - 10.0-11.3 Violated in 6 structures by 0.03 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1201 from nnoeabs.peaks (2.47, 8.38, 121.89 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.87: * HB2 ASP 31 + H ASP 31 OK 64 100 100 64 2.5-3.8 4.1=46, 1.8/3408=25, 180/4.6=12 HB3 ASP 31 + H ASP 31 OK 64 100 100 64 2.5-3.3 4.1=46, 1.8/3404=25, 180/4.6=12 HG3 GLU 41 - H ASP 31 far 0 96 0 - 5.9-9.9 Violated in 0 structures by 0.00 A. Peak 1202 from nnoeabs.peaks (2.47, 8.38, 121.89 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.87: HB2 ASP 31 + H ASP 31 OK 64 100 100 64 2.5-3.8 4.1=46, 1.8/3408=25, 181/4.6=12 * HB3 ASP 31 + H ASP 31 OK 64 100 100 64 2.5-3.3 4.1=46, 1.8/3404=25, 181/4.6=12 HG3 GLU 41 - H ASP 31 far 0 94 0 - 5.9-9.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA VAL 32 + H VAL 32 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLU 41 - H VAL 32 far 0 77 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 1205 from nnoeabs.peaks (1.78, 8.44, 120.43 ppm; 3.41 A): 1 out of 3 assignments used, quality = 0.97: * HB VAL 32 + H VAL 32 OK 97 100 100 97 2.5-2.7 2.1/1207=67, 3.9=64...(6) HB2 LEU 64 - H VAL 32 far 0 84 0 - 7.8-9.9 HB2 LEU 55 - H VAL 32 far 0 77 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 1206 from nnoeabs.peaks (0.87, 8.44, 120.43 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 32 + H VAL 32 OK 100 100 100 100 3.7-3.8 4.0=94, 2.1/1207=82...(6) HG13 ILE 57 - H VAL 32 far 14 96 15 - 5.3-6.6 QG2 THR 9 - H VAL 32 far 0 99 0 - 7.0-8.3 QG2 VAL 22 - H VAL 32 far 0 84 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 1207 from nnoeabs.peaks (0.76, 8.44, 120.43 ppm; 3.36 A): 1 out of 6 assignments used, quality = 0.97: * QG2 VAL 32 + H VAL 32 OK 97 100 100 97 2.9-3.3 2.1/1205=64, 3427=62...(5) QD1 ILE 15 - H VAL 32 far 0 100 0 - 5.3-7.3 QG2 ILE 54 - H VAL 32 far 0 70 0 - 7.7-9.2 QD1 ILE 7 - H VAL 32 far 0 99 0 - 8.0-10.0 QG2 ILE 7 - H VAL 32 far 0 61 0 - 8.2-9.0 QD2 LEU 80 - H VAL 32 far 0 84 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1210 from nnoeabs.peaks (2.91, 9.55, 122.70 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 33 + H ASN 33 OK 100 100 100 100 3.3-3.8 4.0=84, 1.8/1211=83...(7) HB2 ASP 34 + H ASN 33 OK 58 100 95 61 4.1-5.5 4.0/187=53, 9295/183=10 Violated in 0 structures by 0.00 A. Peak 1211 from nnoeabs.peaks (2.69, 9.55, 122.70 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.95: * HB3 ASN 33 + H ASN 33 OK 95 100 100 95 2.3-3.5 3444=67, 190/187=46...(5) HE3 LYS 19 - H ASN 33 far 0 92 0 - 8.8-13.5 HE2 LYS 19 - H ASN 33 far 0 92 0 - 9.1-13.4 Violated in 1 structures by 0.00 A. Peak 1212 from nnoeabs.peaks (7.94, 9.55, 122.70 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: * HD21 ASN 33 + H ASN 33 OK 99 100 100 99 1.9-3.9 870=74, 3.5/1211=72...(6) Violated in 0 structures by 0.00 A. Peak 1213 from nnoeabs.peaks (7.02, 9.55, 122.70 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 33 + H ASN 33 OK 100 100 100 100 3.5-4.7 876=100, 1.7/1212=95...(6) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ASP 34 + H ASP 34 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 59 - H ASP 34 far 0 96 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1216 from nnoeabs.peaks (2.91, 7.62, 114.89 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 33 + H ASP 34 OK 97 100 100 97 3.9-4.5 1.8/190=70, 4.6=53...(7) * HB2 ASP 34 + H ASP 34 OK 95 100 100 95 2.9-3.7 4.0=79, 195/4.5=39...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA SER 35 + H SER 35 OK 100 100 100 100 2.8-2.8 2.9=100 HA GLU 37 - H SER 35 far 0 84 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 1220 from nnoeabs.peaks (3.92, 8.87, 114.38 ppm; 3.26 A): 1 out of 2 assignments used, quality = 0.94: * HB2 SER 35 + H SER 35 OK 94 100 100 94 2.2-3.0 1.8/1221=68, 3466=55...(6) HA LEU 38 - H SER 35 far 0 96 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 1221 from nnoeabs.peaks (3.95, 8.87, 114.38 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.97: * HB3 SER 35 + H SER 35 OK 97 100 100 97 2.2-3.6 1.8/1220=72, 3471/2.9=60...(5) Violated in 13 structures by 0.11 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1224 from nnoeabs.peaks (2.84, 8.39, 124.69 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.96: * HB2 ASP 36 + H ASP 36 OK 96 100 100 96 2.2-3.0 3478=78, 1.8/1225=63...(5) Violated in 0 structures by 0.00 A. Peak 1225 from nnoeabs.peaks (2.66, 8.39, 124.69 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 36 + H ASP 36 OK 98 100 100 98 2.2-3.5 3482=84, 1.8/1224=78 HG2 MET 42 - H ASP 36 far 0 98 0 - 9.9-11.6 Violated in 14 structures by 0.08 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H GLU 37 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 35 + H GLU 37 OK 73 84 100 88 3.7-4.3 3.6/1881=50...(10) Violated in 0 structures by 0.00 A. Peak 1228 from nnoeabs.peaks (2.27, 9.01, 122.45 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + H GLU 37 OK 100 100 100 100 2.1-3.6 3.8=89, 1.8/1229=82...(12) Violated in 0 structures by 0.00 A. Peak 1229 from nnoeabs.peaks (2.17, 9.01, 122.45 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 37 + H GLU 37 OK 100 100 100 100 2.2-3.3 3.8=68, 1.8/1228=62...(14) HG3 GLU 66 - H GLU 37 far 0 87 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 1230 from nnoeabs.peaks (2.44, 9.01, 122.45 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + H GLU 37 OK 100 100 100 100 2.3-4.1 1.8/1231=84, 3504=81...(11) HG3 GLU 41 - H GLU 37 far 0 70 0 - 5.6-7.8 Violated in 15 structures by 0.05 A. Peak 1231 from nnoeabs.peaks (2.73, 9.01, 122.45 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + H GLU 37 OK 100 100 100 100 2.6-3.6 3510=76, 1.8/1230=60...(14) HB2 ASP 60 - H GLU 37 far 0 97 0 - 9.5-10.7 Violated in 5 structures by 0.03 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA LEU 38 + H LEU 38 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 SER 35 + H LEU 38 OK 35 96 40 91 5.0-5.8 3.0/8028=44, 199/2030=30...(11) HA LEU 64 - H LEU 38 far 0 99 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 1234 from nnoeabs.peaks (2.11, 8.20, 119.58 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 38 + H LEU 38 OK 100 100 100 100 2.0-2.1 3.8=67, 1.8/1235=50...(18) HG2 GLU 41 - H LEU 38 poor 20 61 45 71 4.3-6.1 9300/11505=20...(13) Violated in 0 structures by 0.00 A. Peak 1235 from nnoeabs.peaks (1.46, 8.20, 119.58 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 38 + H LEU 38 OK 100 100 100 100 3.2-3.4 3.8=69, 1.8/1234=60...(14) HG2 LYS 39 + H LEU 38 OK 39 99 55 72 3.5-6.6 3588/1883=33...(8) HG3 ARG 30 - H LEU 38 far 0 94 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 1236 from nnoeabs.peaks (1.52, 8.20, 119.58 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 38 + H LEU 38 OK 100 100 100 100 4.0-4.2 2.1/1237=77, 3540/3.8=59...(10) HG2 LYS 43 - H LEU 38 far 0 96 0 - 8.4-9.4 HB3 ARG 30 - H LEU 38 far 0 97 0 - 8.6-11.2 Violated in 20 structures by 0.30 A. Peak 1237 from nnoeabs.peaks (0.89, 8.20, 119.58 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + H LEU 38 OK 100 100 100 100 2.6-3.1 2.1/1236=59, 3521/3.0=56...(18) QD1 LEU 70 - H LEU 38 far 0 70 0 - 5.8-8.2 QD2 LEU 70 - H LEU 38 far 0 81 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 1238 from nnoeabs.peaks (0.96, 8.20, 119.58 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + H LEU 38 OK 100 100 100 100 4.3-4.4 4.4=100 HG13 ILE 56 - H LEU 38 far 0 99 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1241 from nnoeabs.peaks (1.93, 7.83, 118.40 ppm; 3.17 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 99 100 100 99 2.1-3.5 3568=62, 1.8/3578=44...(19) HB3 LYS 39 + H LYS 39 OK 79 81 100 98 2.9-3.6 4.0=48, 1.8/3568=45...(16) HB VAL 104 - H ILE 97 poor 15 75 20 - 4.5-6.1 HB2 GLU 41 - H LYS 39 lone 9 73 90 14 4.2-6.1 8052/3.6=11, 3754/4.6=3 HB3 GLU 41 - H LYS 39 far 4 77 5 - 4.4-6.6 HB2 LYS 65 - H ILE 97 far 0 92 0 - 6.4-9.4 HB3 MET 42 - H LYS 39 far 0 73 0 - 6.5-8.1 HB3 LYS 40 - H LYS 39 far 0 90 0 - 6.5-6.7 HB3 LYS 65 - H ILE 97 far 0 92 0 - 6.9-9.0 HB2 LEU 70 - H LYS 39 far 0 96 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 1242 from nnoeabs.peaks (1.95, 7.83, 118.40 ppm; 3.10 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 98 100 100 98 2.9-3.6 3578=61, 1.8/3568=44...(16) HB2 LYS 39 + H LYS 39 OK 79 81 100 98 2.1-3.5 3568=46, 1.8/3578=42...(18) HB2 GLU 41 - H LYS 39 lone 16 100 90 18 4.2-6.1 8050/3.6=14, 3748/4.6=4 HB VAL 104 - H ILE 97 far 14 91 15 - 4.5-6.1 HB3 GLU 41 - H LYS 39 far 5 100 5 - 4.4-6.6 HB2 LYS 65 - H ILE 97 far 0 68 0 - 6.4-9.4 HB3 MET 42 - H LYS 39 far 0 100 0 - 6.5-8.1 HB3 LYS 40 - H LYS 39 far 0 100 0 - 6.5-6.7 HB3 LYS 65 - H ILE 97 far 0 65 0 - 6.9-9.0 HB2 LEU 70 - H LYS 39 far 0 98 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 1243 from nnoeabs.peaks (1.46, 7.83, 118.40 ppm; 3.64 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 2.0-4.4 1.8/3598=64, 3588=62...(22) HB3 LEU 38 + H LYS 39 OK 99 99 100 100 4.1-4.3 1.8/213=76, 4.6=49...(13) HG2 LYS 96 + H ILE 97 OK 58 58 100 99 4.5-4.7 2.9/7797=65, 2.9/7796=62...(10) HG LEU 80 - H ILE 97 far 0 62 0 - 5.3-8.2 HG3 LYS 44 - H LYS 39 far 0 61 0 - 7.1-9.7 HG2 LYS 106 - H ILE 97 far 0 91 0 - 7.9-12.7 HG3 ARG 30 - H LYS 39 far 0 99 0 - 9.7-13.5 HB3 LEU 6 - H ILE 97 far 0 92 0 - 9.7-10.7 Violated in 3 structures by 0.00 A. Peak 1244 from nnoeabs.peaks (1.70, 7.83, 118.40 ppm; 3.45 A): 5 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 99 100 100 99 1.9-3.9 3598=65, 1.8/3588=50...(19) HD2 LYS 39 + H LYS 39 OK 96 97 100 99 2.9-4.7 3.0/3598=45, 3.0/3588=40...(20) HD3 LYS 39 + H LYS 39 OK 77 98 80 98 3.4-5.4 3.0/3598=45, 3.0/3588=40...(20) HD2 LYS 96 + H ILE 97 OK 45 55 85 96 4.5-5.1 3.4/7797=50, 3.4/7796=48...(9) HD3 LYS 96 + H ILE 97 OK 21 62 35 96 4.8-5.5 3.4/7797=50, 3.4/7796=48...(9) HD3 LYS 40 - H LYS 39 poor 16 65 25 - 4.5-7.2 HD2 LYS 40 - H LYS 39 far 7 70 10 - 4.1-7.5 HD3 LYS 44 - H LYS 39 far 0 99 0 - 6.9-11.0 HD2 LYS 44 - H LYS 39 far 0 100 0 - 7.4-10.9 HD3 LYS 43 - H LYS 39 far 0 77 0 - 7.8-9.5 HB3 LYS 106 - H ILE 97 far 0 62 0 - 8.7-12.7 HG12 ILE 71 - H LYS 39 far 0 99 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 1245 from nnoeabs.peaks (1.71, 7.83, 118.40 ppm; 3.45 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 99 100 100 99 2.9-4.7 3.0/3598=45, 3.0/3588=40...(20) HG3 LYS 39 + H LYS 39 OK 96 97 100 99 1.9-3.9 3598=63, 1.8/3588=50...(19) HD3 LYS 39 + H LYS 39 OK 79 100 80 98 3.4-5.4 3.0/3598=45, 3.0/3588=40...(20) HD3 LYS 44 - H LYS 39 far 0 100 0 - 6.9-11.0 HD2 LYS 44 - H LYS 39 far 0 99 0 - 7.4-10.9 HB3 LYS 106 - H ILE 97 far 0 82 0 - 8.7-12.7 HB3 LEU 90 - H ILE 97 far 0 58 0 - 9.3-11.2 HG12 ILE 71 - H LYS 39 far 0 87 0 - 9.6-12.4 Violated in 2 structures by 0.00 A. Peak 1246 from nnoeabs.peaks (1.70, 7.83, 118.40 ppm; 3.45 A): 3 out of 8 assignments used, quality = 1.00: HD2 LYS 39 + H LYS 39 OK 99 100 100 99 2.9-4.7 3.0/3598=45, 3.0/3588=40...(20) HG3 LYS 39 + H LYS 39 OK 97 98 100 99 1.9-3.9 3598=64, 1.8/3588=50...(19) * HD3 LYS 39 + H LYS 39 OK 79 100 80 98 3.4-5.4 3.0/3598=45, 3.0/3588=40...(20) HD3 LYS 44 - H LYS 39 far 0 100 0 - 6.9-11.0 HD2 LYS 44 - H LYS 39 far 0 99 0 - 7.4-10.9 HB3 LYS 106 - H ILE 97 far 0 80 0 - 8.7-12.7 HB3 LEU 90 - H ILE 97 far 0 55 0 - 9.3-11.2 HG12 ILE 71 - H LYS 39 far 0 90 0 - 9.6-12.4 Violated in 2 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1251 from nnoeabs.peaks (1.99, 7.78, 119.27 ppm; 2.66 A): 1 out of 1 assignment used, quality = 0.98: * HB2 LYS 40 + H LYS 40 OK 98 100 100 98 2.4-2.8 3658=51, 1.8/3668=47...(18) Violated in 4 structures by 0.02 A. Peak 1252 from nnoeabs.peaks (1.95, 7.78, 119.27 ppm; 2.67 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 40 + H LYS 40 OK 96 100 100 96 3.6-3.6 3668=55, 1.8/3658=45...(15) HB3 LYS 39 + H LYS 40 OK 91 100 100 91 2.0-3.4 7474=41, 1.8/7473=34...(15) HB2 LYS 39 + H LYS 40 OK 80 90 100 90 2.2-4.0 7473=37, 1.8/7474=33...(16) HB2 GLU 41 - H LYS 40 far 0 99 0 - 4.2-5.8 HB3 GLU 41 - H LYS 40 far 0 99 0 - 4.2-6.1 HB3 MET 42 - H LYS 40 far 0 99 0 - 6.2-7.6 HB2 LEU 70 - H LYS 40 far 0 100 0 - 8.1-10.0 Violated in 6 structures by 0.07 A. Peak 1253 from nnoeabs.peaks (1.38, 7.78, 119.27 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + H LYS 40 OK 100 100 100 100 2.0-3.9 1.8/1254=89, 2.7/1251=86...(20) HG3 LYS 43 + H LYS 40 OK 69 94 85 86 4.8-5.7 3678=35, 3652/3.0=31...(11) Violated in 0 structures by 0.00 A. Peak 1254 from nnoeabs.peaks (1.62, 7.78, 119.27 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + H LYS 40 OK 100 100 100 100 2.0-3.2 2.7/1251=68, 3688=65...(22) Violated in 0 structures by 0.00 A. Peak 1255 from nnoeabs.peaks (1.68, 7.78, 119.27 ppm; 3.60 A): 3 out of 7 assignments used, quality = 1.00: HD3 LYS 40 + H LYS 40 OK 100 100 100 100 2.5-4.4 2.9/1254=61, 3.6/1251=60...(22) * HD2 LYS 40 + H LYS 40 OK 100 100 100 100 1.9-4.6 2.9/1254=61, 3.6/1251=60...(20) HG3 LYS 39 + H LYS 40 OK 68 70 100 97 1.7-4.9 1.8/222=47, 2.9/7473=42...(16) HD2 LYS 44 - H LYS 40 far 3 61 5 - 4.7-8.6 HD2 LYS 43 - H LYS 40 far 0 100 0 - 6.8-7.8 HD3 LYS 43 - H LYS 40 far 0 100 0 - 7.1-8.2 HG12 ILE 71 - H LYS 40 far 0 87 0 - 9.7-13.1 Violated in 2 structures by 0.01 A. Peak 1256 from nnoeabs.peaks (1.68, 7.78, 119.27 ppm; 3.60 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 40 + H LYS 40 OK 100 100 100 100 2.5-4.4 2.9/1254=61, 3.6/1251=60...(22) HD2 LYS 40 + H LYS 40 OK 100 100 100 100 1.9-4.6 2.9/1254=61, 3.6/1251=60...(20) HG3 LYS 39 + H LYS 40 OK 64 65 100 97 1.7-4.9 1.8/222=47, 2.9/7473=42...(16) HD2 LYS 43 - H LYS 40 far 0 100 0 - 6.8-7.8 HD3 LYS 43 - H LYS 40 far 0 100 0 - 7.1-8.2 HG12 ILE 71 - H LYS 40 far 0 84 0 - 9.7-13.1 Violated in 2 structures by 0.01 A. Peak 1257 from nnoeabs.peaks (2.97, 7.78, 119.27 ppm; 5.16 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + H LYS 40 OK 100 100 100 100 2.7-5.3 3.9/1254=83, 5.0/1251=75...(21) HE3 LYS 40 + H LYS 40 OK 100 100 100 100 3.0-5.9 3.9/1254=83, 5.0/1251=75...(21) HE2 LYS 39 + H LYS 40 OK 85 90 95 100 3.6-6.8 3.6/7476=67, 3.6/222=67...(15) HE3 LYS 39 + H LYS 40 OK 58 84 70 100 3.2-6.8 3.6/7476=67, 3.6/222=67...(15) HE2 LYS 43 - H LYS 40 far 9 87 10 - 5.1-8.7 HE3 LYS 43 - H LYS 40 far 5 97 5 - 5.1-9.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 41 + H GLU 41 OK 100 100 100 100 2.7-2.7 3.0=100 HA VAL 32 - H GLU 41 far 0 77 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 1261 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 3 out of 7 assignments used, quality = 1.00: HB3 LYS 40 + H GLU 41 OK 92 99 100 93 3.9-4.1 1.8/230=62, 3668/228=37...(9) * HB2 GLU 41 + H GLU 41 OK 81 100 100 81 2.2-3.4 4.0=38, 3.0/1264=36...(5) HB3 GLU 41 + H GLU 41 OK 81 100 100 81 2.1-3.6 4.0=38, 3.0/1264=36...(5) HB3 LYS 39 - H GLU 41 far 5 100 5 - 4.3-5.4 HB2 LYS 39 - H GLU 41 far 4 73 5 - 4.4-5.9 HB3 MET 42 - H GLU 41 far 0 100 0 - 5.1-6.4 HB2 LEU 70 - H GLU 41 far 0 96 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 1262 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 3 out of 7 assignments used, quality = 1.00: HB3 LYS 40 + H GLU 41 OK 93 99 100 94 3.9-4.1 1.8/230=62, 3668/228=37...(9) * HB3 GLU 41 + H GLU 41 OK 81 100 100 81 2.1-3.6 4.0=38, 3.0/1264=36...(5) HB2 GLU 41 + H GLU 41 OK 81 100 100 81 2.2-3.4 4.0=38, 3.0/1264=36...(5) HB3 LYS 39 - H GLU 41 far 5 100 5 - 4.3-5.4 HB2 LYS 39 - H GLU 41 far 4 77 5 - 4.4-5.9 HB3 MET 42 - H GLU 41 far 0 100 0 - 5.1-6.4 HB2 LEU 70 - H GLU 41 far 0 97 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 1263 from nnoeabs.peaks (2.13, 8.72, 119.65 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.98: * HG2 GLU 41 + H GLU 41 OK 98 100 100 98 2.3-4.2 1.8/1264=79, 3756=53...(7) HB2 LEU 38 - H GLU 41 far 0 61 0 - 5.3-5.8 Violated in 8 structures by 0.08 A. Peak 1264 from nnoeabs.peaks (2.46, 8.72, 119.65 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.92: * HG3 GLU 41 + H GLU 41 OK 92 100 100 92 2.8-3.6 1.8/1263=67, 3762=42...(8) HG2 GLU 37 - H GLU 41 far 3 70 5 - 4.2-7.5 Violated in 6 structures by 0.01 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1267 from nnoeabs.peaks (2.19, 8.78, 118.11 ppm; 3.60 A): 1 out of 6 assignments used, quality = 0.99: * HB2 MET 42 + H MET 42 OK 99 100 100 99 3.2-3.7 3.9=76, 3.0/1269=57...(11) HB2 MET 67 - H MET 42 poor 13 87 25 61 4.7-7.8 3791/1269=16...(10) HG3 GLU 66 - H MET 42 far 0 99 0 - 7.3-9.9 HB3 GLU 37 - H MET 42 far 0 73 0 - 8.1-9.2 HB2 GLU 69 - H MET 42 far 0 92 0 - 9.1-11.3 HG2 GLU 48 - H MET 42 far 0 90 0 - 9.6-13.5 Violated in 18 structures by 0.03 A. Peak 1268 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 8 assignments used, quality = 1.00: * HB3 MET 42 + H MET 42 OK 99 100 100 99 2.4-3.5 3.9=58, 1.8/1267=55...(10) HB3 GLU 41 + H MET 42 OK 83 100 100 83 2.7-3.4 4.7=36, 4.0/1886=35...(11) HB2 GLU 41 + H MET 42 OK 82 100 100 82 2.4-4.0 4.7=36, 4.0/1886=35...(11) HB2 LEU 70 - H MET 42 poor 19 96 20 - 4.6-6.0 HB3 LYS 40 - H MET 42 far 0 99 0 - 5.6-6.0 HB3 LYS 39 - H MET 42 far 0 100 0 - 5.8-6.2 HB2 LYS 39 - H MET 42 far 0 73 0 - 5.9-6.6 HB3 GLU 52 - H MET 42 far 0 100 0 - 9.0-17.2 Violated in 0 structures by 0.00 A. Peak 1269 from nnoeabs.peaks (2.66, 8.78, 118.11 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.99: * HG2 MET 42 + H MET 42 OK 99 100 100 99 2.0-3.7 1.8/1270=67, 3.0/1267=46...(17) HB2 TYR 76 - H MET 42 far 0 96 0 - 9.4-11.6 HB3 ASP 36 - H MET 42 far 0 98 0 - 9.9-11.0 Violated in 5 structures by 0.03 A. Peak 1270 from nnoeabs.peaks (2.76, 8.78, 118.11 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.99: * HG3 MET 42 + H MET 42 OK 99 100 100 99 1.8-3.8 1.8/1269=79, 3.0/1267=51...(17) HE2 LYS 2 - H MET 42 far 0 100 0 - 9.2-15.1 Violated in 7 structures by 0.01 A. Peak 1271 from nnoeabs.peaks (1.87, 8.78, 118.11 ppm; 3.71 A): 3 out of 4 assignments used, quality = 1.00: * QE MET 42 + H MET 42 OK 99 100 100 99 2.6-4.0 3804/3.0=59, 3.3/1269=54...(15) HG LEU 45 + H MET 42 OK 36 73 55 90 4.4-6.4 ~9435=28, 3774/3.0=23...(11) QE MET 67 + H MET 42 OK 29 81 75 48 4.6-6.3 11230/8054=12...(9) HG LEU 70 - H MET 42 far 0 65 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1274 from nnoeabs.peaks (1.91, 7.50, 120.74 ppm; 2.84 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 43 + H LYS 43 OK 96 100 100 96 2.2-2.5 4.0=36, 3.0/1276=30...(20) HB3 LYS 43 + H LYS 43 OK 93 98 100 95 3.5-3.6 4.0=36, 3.0/1276=30...(19) HB2 LYS 44 - H LYS 43 far 5 99 5 - 4.2-6.0 HB3 LYS 44 - H LYS 43 far 0 100 0 - 4.4-6.0 HB2 LEU 45 - H LYS 43 far 0 100 0 - 5.5-6.5 HB2 LYS 73 - H LYS 43 far 0 87 0 - 8.5-12.3 HB ILE 71 - H LYS 43 far 0 90 0 - 9.1-10.8 HB3 LYS 73 - H LYS 43 far 0 84 0 - 9.6-11.7 HB2 LYS 49 - H LYS 43 far 0 96 0 - 9.6-15.2 Violated in 0 structures by 0.00 A. Peak 1275 from nnoeabs.peaks (1.90, 7.50, 120.74 ppm; 2.84 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 43 + H LYS 43 OK 95 100 100 95 3.5-3.6 4.0=36, 3.0/1276=30...(19) HB2 LYS 43 + H LYS 43 OK 94 98 100 96 2.2-2.5 4.0=36, 3.0/1276=30...(20) HG LEU 45 - H LYS 43 poor 12 61 20 - 4.2-6.0 HB2 LYS 44 - H LYS 43 far 5 92 5 - 4.2-6.0 HB3 LYS 44 - H LYS 43 far 0 99 0 - 4.4-6.0 HB2 LEU 45 - H LYS 43 far 0 100 0 - 5.5-6.5 HB2 LYS 73 - H LYS 43 far 0 98 0 - 8.5-12.3 HB ILE 71 - H LYS 43 far 0 99 0 - 9.1-10.8 HB3 LYS 73 - H LYS 43 far 0 97 0 - 9.6-11.7 HB2 LYS 49 - H LYS 43 far 0 100 0 - 9.6-15.2 Violated in 0 structures by 0.00 A. Peak 1276 from nnoeabs.peaks (1.51, 7.50, 120.74 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 43 + H LYS 43 OK 100 100 100 100 2.4-3.0 3814/3.0=71, 1.8/1277=65...(26) HG LEU 38 - H LYS 43 far 0 96 0 - 5.6-6.2 HG2 ARG 30 - H LYS 43 far 0 73 0 - 9.0-12.0 HB3 ARG 30 - H LYS 43 far 0 100 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1277 from nnoeabs.peaks (1.37, 7.50, 120.74 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 43 + H LYS 43 OK 100 100 100 100 2.7-3.9 1.8/1276=85, 4.9=64...(26) HG2 LYS 40 - H LYS 43 far 9 94 10 - 5.5-6.7 Violated in 0 structures by 0.00 A. Peak 1278 from nnoeabs.peaks (1.68, 7.50, 120.74 ppm; 4.06 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 43 + H LYS 43 OK 100 100 100 100 3.8-4.9 2.9/1276=64, 2.9/1277=57...(21) HD3 LYS 43 + H LYS 43 OK 99 99 100 100 4.3-5.0 2.9/1276=64, 2.9/1277=57...(21) HD3 LYS 40 + H LYS 43 OK 40 100 70 58 4.4-6.9 5.3/2055=35, 2.9/3850=18...(5) HD2 LYS 40 - H LYS 43 poor 20 100 20 - 4.8-7.3 HG12 ILE 71 - H LYS 43 far 0 77 0 - 6.7-9.9 HD3 LYS 73 - H LYS 43 far 0 99 0 - 8.7-11.9 HD2 LYS 73 - H LYS 43 far 0 98 0 - 9.0-12.4 HB ILE 54 - H LYS 43 far 0 100 0 - 9.7-11.7 HB ILE 56 - H LYS 43 far 0 92 0 - 9.7-11.4 Violated in 2 structures by 0.02 A. Peak 1279 from nnoeabs.peaks (1.68, 7.50, 120.74 ppm; 4.06 A): 3 out of 12 assignments used, quality = 1.00: * HD3 LYS 43 + H LYS 43 OK 100 100 100 100 4.3-5.0 2.9/1276=64, 2.9/1277=57...(21) HD2 LYS 43 + H LYS 43 OK 99 99 100 100 3.8-4.9 2.9/1276=64, 2.9/1277=57...(21) HD3 LYS 40 + H LYS 43 OK 40 100 70 58 4.4-6.9 5.3/2055=35, 2.9/3850=18...(5) HD2 LYS 40 - H LYS 43 poor 20 100 20 - 4.8-7.3 HD3 LYS 44 - H LYS 43 far 3 61 5 - 4.9-7.3 HG3 LYS 39 - H LYS 43 far 0 77 0 - 5.9-7.5 HD2 LYS 44 - H LYS 43 far 0 70 0 - 6.2-7.3 HG12 ILE 71 - H LYS 43 far 0 92 0 - 6.7-9.9 HD3 LYS 73 - H LYS 43 far 0 100 0 - 8.7-11.9 HD2 LYS 73 - H LYS 43 far 0 100 0 - 9.0-12.4 HB ILE 54 - H LYS 43 far 0 100 0 - 9.7-11.7 HB ILE 56 - H LYS 43 far 0 99 0 - 9.7-11.4 Violated in 2 structures by 0.02 A. 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 2 assignments used, quality = 1.00: * HA LYS 44 + H LYS 44 OK 100 100 100 100 2.7-2.7 3.0=100 HA GLU 37 - H LYS 44 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 1284 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 4 out of 6 assignments used, quality = 1.00: * HB2 LYS 44 + H LYS 44 OK 94 100 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(24) HB3 LYS 44 + H LYS 44 OK 93 99 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(23) HB2 LYS 43 + H LYS 44 OK 74 99 100 74 2.4-3.0 3.0/252=33, 4.0/1888=27...(10) HB3 LYS 43 + H LYS 44 OK 67 92 100 73 3.2-3.9 3.0/252=33, 4.0/1888=27...(8) HB2 LEU 45 - H LYS 44 far 0 97 0 - 5.4-5.6 HB2 LYS 49 - H LYS 44 far 0 87 0 - 7.2-13.6 Violated in 0 structures by 0.00 A. Peak 1285 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LYS 44 + H LYS 44 OK 94 100 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(23) HB2 LYS 44 + H LYS 44 OK 93 99 100 94 2.2-3.6 2.9/1286=34, 4.0=30...(24) HB2 LYS 43 + H LYS 44 OK 74 100 100 74 2.4-3.0 3.0/252=33, 4.0/1888=27...(10) HB3 LYS 43 + H LYS 44 OK 72 99 100 73 3.2-3.9 3.0/252=33, 4.0/1888=27...(8) HB2 LEU 45 - H LYS 44 far 0 100 0 - 5.4-5.6 HB2 LYS 49 - H LYS 44 far 0 97 0 - 7.2-13.6 Violated in 0 structures by 0.00 A. Peak 1286 from nnoeabs.peaks (1.58, 7.45, 118.27 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 44 + H LYS 44 OK 100 100 100 100 2.4-3.3 3930=61, 1.8/1287=56...(24) HB3 LEU 70 - H LYS 44 far 0 87 0 - 6.9-9.0 Violated in 0 structures by 0.00 A. Peak 1287 from nnoeabs.peaks (1.44, 7.45, 118.27 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 44 + H LYS 44 OK 100 100 100 100 2.7-4.4 1.8/1286=88, 3905/3.0=64...(22) HG2 LYS 39 - H LYS 44 far 0 61 0 - 5.7-9.0 HG12 ILE 56 - H LYS 44 far 0 90 0 - 8.5-10.4 HG LEU 4 - H LYS 44 far 0 84 0 - 9.3-12.3 HG3 ARG 30 - H LYS 44 far 0 81 0 - 9.4-12.4 HB3 LEU 4 - H LYS 44 far 0 100 0 - 9.9-11.9 Violated in 1 structures by 0.02 A. Peak 1288 from nnoeabs.peaks (1.70, 7.45, 118.27 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 44 + H LYS 44 OK 100 100 100 100 4.4-5.2 2.9/1286=72, 2.9/1287=62...(25) HD3 LYS 44 + H LYS 44 OK 100 100 100 100 3.2-5.1 2.9/1286=72, 2.9/1287=62...(25) HD2 LYS 40 - H LYS 44 poor 13 61 80 27 3.7-6.4 2.9/256=23, 3906/3.0=4 HD3 LYS 43 - H LYS 44 far 0 70 0 - 5.6-6.6 HD2 LYS 39 - H LYS 44 far 0 99 0 - 5.8-10.1 HG3 LYS 39 - H LYS 44 far 0 100 0 - 6.2-8.8 HD3 LYS 39 - H LYS 44 far 0 99 0 - 7.3-9.7 HG LEU 74 - H LYS 44 far 0 100 0 - 7.8-9.9 HG12 ILE 71 - H LYS 44 far 0 97 0 - 8.5-11.7 HB ILE 54 - H LYS 44 far 0 61 0 - 8.8-11.8 HB ILE 56 - H LYS 44 far 0 87 0 - 9.9-12.1 Violated in 19 structures by 0.19 A. Peak 1289 from nnoeabs.peaks (1.70, 7.45, 118.27 ppm; 4.02 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + H LYS 44 OK 100 100 100 100 3.2-5.1 2.9/1286=72, 2.9/1287=62...(25) HD2 LYS 44 + H LYS 44 OK 100 100 100 100 4.4-5.2 2.9/1286=72, 2.9/1287=62...(25) HD3 LYS 43 - H LYS 44 far 0 61 0 - 5.6-6.6 HD2 LYS 39 - H LYS 44 far 0 100 0 - 5.8-10.1 HG3 LYS 39 - H LYS 44 far 0 99 0 - 6.2-8.8 HD3 LYS 39 - H LYS 44 far 0 100 0 - 7.3-9.7 HG LEU 74 - H LYS 44 far 0 100 0 - 7.8-9.9 HG12 ILE 71 - H LYS 44 far 0 94 0 - 8.5-11.7 HB ILE 56 - H LYS 44 far 0 81 0 - 9.9-12.1 Violated in 19 structures by 0.19 A. Peak 1290 from nnoeabs.peaks (2.93, 7.45, 118.27 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 44 + H LYS 44 OK 100 100 100 100 4.6-6.3 3.7/1286=98, 3.7/1287=94...(17) * HE2 LYS 44 + H LYS 44 OK 100 100 100 100 4.8-6.6 3.7/1286=98, 3.7/1287=94...(17) HD3 ARG 30 - H LYS 44 far 0 100 0 - 8.5-12.4 Violated in 0 structures by 0.00 A. Peak 1291 from nnoeabs.peaks (2.93, 7.45, 118.27 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 44 + H LYS 44 OK 100 100 100 100 4.6-6.3 3.7/1286=98, 3.7/1287=94...(17) HE2 LYS 44 + H LYS 44 OK 100 100 100 100 4.8-6.6 3.7/1286=98, 3.7/1287=94...(17) HD3 ARG 30 - H LYS 44 far 0 100 0 - 8.5-12.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LEU 45 + H LEU 45 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 70 - H LEU 45 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 1294 from nnoeabs.peaks (1.90, 8.16, 117.78 ppm; 2.72 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 45 + H LEU 45 OK 95 100 100 95 2.8-3.0 1.8/1295=40, 3997=33...(13) HB2 LYS 44 + H LEU 45 OK 83 97 100 85 2.3-4.0 4.0/1889=23, 2.9/266=22...(18) HB3 LYS 44 + H LEU 45 OK 82 100 100 83 2.3-4.0 4.0/1889=23, 2.9/266=22...(13) HB2 LYS 43 - H LEU 45 far 0 100 0 - 4.9-5.8 HB3 LYS 43 - H LEU 45 far 0 100 0 - 5.2-6.0 HB2 LYS 49 - H LEU 45 far 0 99 0 - 6.3-11.2 HB ILE 71 - H LEU 45 far 0 96 0 - 9.6-11.9 HB2 LYS 73 - H LEU 45 far 0 94 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 1295 from nnoeabs.peaks (1.49, 8.16, 117.78 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 45 + H LEU 45 OK 100 100 100 100 3.5-3.6 4004=73, 3.0/1296=68...(12) HG2 ARG 30 - H LEU 45 far 0 90 0 - 8.0-10.6 HG3 LYS 73 - H LEU 45 far 0 96 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1296 from nnoeabs.peaks (1.88, 8.16, 117.78 ppm; 2.85 A): 1 out of 7 assignments used, quality = 0.98: * HG LEU 45 + H LEU 45 OK 98 100 100 98 1.7-2.1 2.1/1298=44, 2.1/1297=44...(13) QE MET 42 - H LEU 45 far 0 73 0 - 4.8-6.5 HB3 LYS 43 - H LEU 45 far 0 61 0 - 5.2-6.0 HB2 LYS 49 - H LEU 45 far 0 70 0 - 6.3-11.2 QE MET 67 - H LEU 45 far 0 100 0 - 8.4-9.6 HB ILE 71 - H LEU 45 far 0 81 0 - 9.6-11.9 HB2 LYS 73 - H LEU 45 far 0 84 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 1297 from nnoeabs.peaks (0.75, 8.16, 117.78 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 45 + H LEU 45 OK 100 100 100 100 2.3-3.7 2.1/1296=82, 2.1/1298=67...(13) QG2 ILE 54 - H LEU 45 far 0 96 0 - 5.7-7.7 QG2 VAL 32 - H LEU 45 far 0 94 0 - 8.2-9.1 QD2 LEU 6 - H LEU 45 far 0 61 0 - 9.3-10.5 Violated in 18 structures by 0.10 A. Peak 1298 from nnoeabs.peaks (0.72, 8.16, 117.78 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 45 + H LEU 45 OK 100 100 100 100 1.9-3.5 2.1/1296=82, 2.1/1297=67...(15) QG2 VAL 78 - H LEU 45 far 0 100 0 - 8.4-9.8 QD2 LEU 6 - H LEU 45 far 0 92 0 - 9.3-10.5 Violated in 1 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA ALA 46 + H ALA 46 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 47 - H ALA 46 far 0 100 0 - 5.2-5.5 HA GLU 41 - H ALA 46 far 0 90 0 - 7.4-7.9 HA GLU 52 - H ALA 46 far 0 98 0 - 8.0-14.3 Violated in 0 structures by 0.00 A. Peak 1301 from nnoeabs.peaks (1.55, 7.64, 118.54 ppm; 2.71 A): 1 out of 3 assignments used, quality = 0.93: * QB ALA 46 + H ALA 46 OK 93 100 100 93 2.0-2.2 2.9=82, 8085/2070=34...(4) HG2 LYS 65 - H GLU 69 far 4 72 5 - 4.1-7.0 HB VAL 78 - H GLU 69 far 0 66 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HA GLU 47 + H GLU 47 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 46 + H GLU 47 OK 97 100 100 97 3.4-3.5 3.6=76, 2.1/280=63...(7) HA GLU 41 - H GLU 47 far 0 84 0 - 8.3-8.7 HA GLU 52 - H GLU 47 far 0 96 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. Peak 1304 from nnoeabs.peaks (2.06, 7.71, 115.49 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.99: * HB2 GLU 47 + H GLU 47 OK 99 100 100 99 3.5-3.6 1.8/1305=60, 4044=58...(9) HB2 GLU 48 + H GLU 47 OK 24 73 80 41 4.1-6.2 4.1/281=41 HB3 GLU 48 - H GLU 47 far 4 73 5 - 4.6-6.4 HG3 GLU 52 - H GLU 47 far 0 87 0 - 9.8-15.6 Violated in 20 structures by 0.24 A. Peak 1305 from nnoeabs.peaks (2.11, 7.71, 115.49 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 47 + H GLU 47 OK 100 100 100 100 2.2-2.8 4050=87, 1.8/1304=65...(9) HG2 GLU 52 - H GLU 47 far 0 92 0 - 8.7-15.6 Violated in 0 structures by 0.00 A. Peak 1306 from nnoeabs.peaks (2.29, 7.71, 115.49 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 47 + H GLU 47 OK 100 100 100 100 2.1-3.9 4056=97, 1.8/1307=82...(9) Violated in 3 structures by 0.00 A. Peak 1307 from nnoeabs.peaks (2.50, 7.71, 115.49 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 47 + H GLU 47 OK 100 100 100 100 2.0-3.3 4062=84, 1.8/1306=65...(11) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 48 + H GLU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HA MET 42 - H GLU 48 far 0 92 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1310 from nnoeabs.peaks (2.04, 7.75, 120.57 ppm; 3.57 A): 3 out of 4 assignments used, quality = 0.99: * HB2 GLU 48 + H GLU 48 OK 87 100 100 87 2.2-3.8 4.1=68, 3.0/4086=35...(4) HB3 GLU 48 + H GLU 48 OK 86 100 100 86 2.7-4.1 4.1=68, 3.0/4086=35, 3.0/1313=33 HB2 GLU 47 + H GLU 48 OK 67 73 100 92 3.3-4.2 1.8/284=64, 4.0/281=53...(4) HG3 GLU 52 - H GLU 48 far 0 99 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 1311 from nnoeabs.peaks (2.04, 7.75, 120.57 ppm; 3.57 A): 3 out of 4 assignments used, quality = 0.99: HB2 GLU 48 + H GLU 48 OK 87 100 100 87 2.2-3.8 4.1=68, 3.0/4086=35...(4) * HB3 GLU 48 + H GLU 48 OK 86 100 100 86 2.7-4.1 4.1=68, 3.0/4086=35, 3.0/1313=33 HB2 GLU 47 + H GLU 48 OK 67 73 100 92 3.3-4.2 1.8/284=64, 4.0/281=53...(4) HG3 GLU 52 - H GLU 48 far 0 99 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 1312 from nnoeabs.peaks (2.20, 7.75, 120.57 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 48 + H GLU 48 OK 100 100 100 100 2.5-4.6 5.1=100 HB2 MET 42 - H GLU 48 far 0 90 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1313 from nnoeabs.peaks (2.32, 7.75, 120.57 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 48 + H GLU 48 OK 100 100 100 100 2.8-4.6 4092=99, 1.8/4086=83...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1316 from nnoeabs.peaks (1.90, 8.61, 124.42 ppm; 4.73 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 49 + H LYS 49 OK 100 100 100 100 2.2-3.7 4.0=100 HB2 LYS 44 - H LYS 49 far 4 87 5 - 5.6-10.2 HB2 LEU 45 - H LYS 49 far 0 99 0 - 6.8-8.9 HB3 LYS 44 - H LYS 49 far 0 97 0 - 7.0-10.1 HG LEU 45 - H LYS 49 far 0 70 0 - 7.3-10.3 HB3 LYS 43 - H LYS 49 far 0 100 0 - 9.0-12.1 HB2 LYS 43 - H LYS 49 far 0 96 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1318 from nnoeabs.peaks (1.46, 8.61, 124.42 ppm; 4.43 A): 2 out of 3 assignments used, quality = 1.00: HG3 LYS 49 + H LYS 49 OK 100 100 100 100 2.2-4.6 4.8=78, 3.0/4118=71...(18) * HG2 LYS 49 + H LYS 49 OK 100 100 100 100 2.3-4.9 4.8=78, 3.0/4118=71...(18) HB2 LEU 74 - H LYS 49 far 0 96 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1319 from nnoeabs.peaks (1.46, 8.61, 124.42 ppm; 4.43 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 49 + H LYS 49 OK 100 100 100 100 2.2-4.6 4.8=78, 3.0/4118=71...(18) HG2 LYS 49 + H LYS 49 OK 100 100 100 100 2.3-4.9 4.8=78, 3.0/4118=71...(18) HB2 LEU 74 - H LYS 49 far 0 96 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.0 4.0=100 HB3 ASN 50 + H ASN 50 OK 100 100 100 100 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.8 4.0=100 HB2 ASN 50 + H ASN 50 OK 100 100 100 100 2.2-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1332 from nnoeabs.peaks (3.03, 8.34, 120.70 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.94: * HB2 PHE 51 + H PHE 51 OK 94 100 100 94 2.2-3.7 4.0=78, 1.8/1333=74 HE3 LYS 49 - H PHE 51 far 0 87 0 - 5.9-11.2 HE2 LYS 49 - H PHE 51 far 0 87 0 - 6.3-11.2 Violated in 0 structures by 0.00 A. Peak 1333 from nnoeabs.peaks (2.97, 8.34, 120.70 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.95: * HB3 PHE 51 + H PHE 51 OK 95 100 100 95 2.4-3.8 4.0=79, 1.8/1332=74 Violated in 7 structures by 0.01 A. 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 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.1 4.0=100 Violated in 0 structures by 0.00 A. 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 99 100 100 99 2.2-3.7 4.0=99 Violated in 0 structures by 0.00 A. Peak 1342 from nnoeabs.peaks (1.09, 7.96, 119.96 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.96: * HG2 LYS 53 + H LYS 53 OK 96 100 100 96 2.2-4.6 1.8/1343=67, 4.7=62...(5) HG2 LYS 2 - H LYS 53 far 6 61 10 - 3.6-9.2 QG2 ILE 3 - H LYS 53 far 5 92 5 - 3.8-7.4 Violated in 4 structures by 0.05 A. Peak 1343 from nnoeabs.peaks (0.94, 7.96, 119.96 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.99: * HG3 LYS 53 + H LYS 53 OK 99 100 100 99 2.6-4.6 1.8/1342=85, 4.7=78...(4) Violated in 3 structures by 0.02 A. Peak 1345 from nnoeabs.peaks (1.27, 7.96, 119.96 ppm; 6.20 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 100 100 100 100 1.9-5.7 6.2=100 HG12 ILE 54 + H LYS 53 OK 53 61 100 87 5.1-6.7 2.1/10800=69, 321/4.6=46...(4) HD2 LYS 2 + H LYS 53 OK 22 97 70 33 5.0-8.9 9469/10800=14...(4) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ILE 54 + H ILE 54 OK 100 100 100 100 2.9-2.9 3.0=100 HA ILE 5 - H ILE 54 far 0 84 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 1350 from nnoeabs.peaks (1.68, 8.80, 124.73 ppm; 3.61 A): 1 out of 3 assignments used, quality = 0.99: * HB ILE 54 + H ILE 54 OK 99 100 100 99 2.5-2.8 3.9=81, 3.0/1353=48...(14) HB ILE 56 - H ILE 54 far 0 97 0 - 7.4-8.3 HD2 LYS 44 - H ILE 54 far 0 61 0 - 8.5-14.0 Violated in 0 structures by 0.00 A. Peak 1351 from nnoeabs.peaks (0.75, 8.80, 124.73 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 54 + H ILE 54 OK 100 100 100 100 3.4-3.9 4.0=100 QD1 LEU 45 + H ILE 54 OK 23 96 55 44 3.8-7.1 4379/1350=18...(7) QD2 LEU 55 - H ILE 54 far 0 92 0 - 5.7-7.6 QD2 LEU 6 - H ILE 54 far 0 90 0 - 7.2-8.9 QG2 VAL 32 - H ILE 54 far 0 70 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1352 from nnoeabs.peaks (1.25, 8.80, 124.73 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 54 + H ILE 54 OK 100 100 100 100 3.0-4.4 1.8/1353=82, 4.6=82...(12) HD2 LYS 2 - H ILE 54 poor 10 87 40 27 4.0-8.2 11235/1354=10...(7) HD3 LYS 53 - H ILE 54 far 9 61 15 - 5.3-6.7 Violated in 15 structures by 0.04 A. Peak 1353 from nnoeabs.peaks (0.91, 8.80, 124.73 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.99: * HG13 ILE 54 + H ILE 54 OK 99 100 100 99 3.1-4.1 4.6=70, 3.0/1350=68...(9) QG2 VAL 29 - H ILE 54 far 0 77 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 1354 from nnoeabs.peaks (0.64, 8.80, 124.73 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + H ILE 54 OK 100 100 100 100 4.1-4.8 4404=78, 2.1/1353=68...(11) QD1 LEU 4 + H ILE 54 OK 94 97 100 97 1.8-5.3 10735/1350=47...(16) QD1 ILE 5 - H ILE 54 poor 15 90 25 66 4.8-7.6 4404=16, 2.1/10802=15...(12) QD1 ILE 71 - H ILE 54 far 0 61 0 - 7.0-8.5 QG1 VAL 22 - H ILE 54 far 0 100 0 - 7.6-9.5 Violated in 6 structures by 0.02 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1357 from nnoeabs.peaks (1.76, 9.10, 130.09 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LEU 55 + H LEU 55 OK 99 100 100 99 2.4-2.9 3.9=85, 9502/11140=39...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.7 5.2=100 Violated in 0 structures by 0.00 A. Peak 1360 from nnoeabs.peaks (0.68, 9.10, 130.09 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + H LEU 55 OK 99 100 100 99 3.9-4.4 4.7=80, 3.1/1357=71...(8) QD2 LEU 4 + H LEU 55 OK 50 98 60 85 4.1-6.5 10734/4.4=37...(9) QG2 ILE 56 - H LEU 55 far 5 92 5 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 1361 from nnoeabs.peaks (0.74, 9.10, 130.09 ppm; 3.41 A): 2 out of 9 assignments used, quality = 0.99: * QD2 LEU 55 + H LEU 55 OK 92 100 100 92 4.1-4.6 3.1/1357=46, 4.7=39...(10) QG2 ILE 54 + H LEU 55 OK 89 92 100 97 2.0-2.9 7565=69, 3.2/325=53...(13) QD2 LEU 45 - H LEU 55 far 0 90 0 - 6.3-7.5 QD1 LEU 45 - H LEU 55 far 0 65 0 - 6.5-8.6 QG2 ILE 18 - H LEU 55 far 0 65 0 - 6.8-8.2 QD2 LEU 6 - H LEU 55 far 0 100 0 - 7.2-8.4 QG1 VAL 117 - H LEU 55 far 0 77 0 - 7.5-8.9 QG2 VAL 78 - H LEU 55 far 0 90 0 - 7.6-8.6 QG2 ILE 7 - H LEU 55 far 0 96 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ILE 56 + H ILE 56 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 29 - H ILE 56 poor 17 81 30 70 5.0-6.3 4489/1368=19...(8) Violated in 0 structures by 0.00 A. Peak 1364 from nnoeabs.peaks (1.69, 9.18, 125.98 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.98: * HB ILE 56 + H ILE 56 OK 98 100 100 98 2.4-3.3 4.0=67, 3.2/1368=52...(11) HB ILE 54 - H ILE 56 far 0 97 0 - 5.7-6.4 HG12 ILE 71 - H ILE 56 far 0 99 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 1365 from nnoeabs.peaks (0.69, 9.18, 125.98 ppm; 3.21 A): 2 out of 6 assignments used, quality = 0.99: * QG2 ILE 56 + H ILE 56 OK 94 100 100 94 2.1-3.8 2.1/1364=58, 4.0=52...(9) QD1 LEU 55 + H ILE 56 OK 85 92 100 92 2.1-4.6 2.1/335=45, 4.0/332=37...(13) QD2 LEU 4 - H ILE 56 far 7 73 10 - 4.0-5.8 QD1 ILE 57 - H ILE 56 far 4 84 5 - 3.5-6.1 QD2 LEU 81 - H ILE 56 far 0 87 0 - 7.6-8.7 QD2 LEU 63 - H ILE 56 far 0 77 0 - 9.5-11.6 Violated in 9 structures by 0.08 A. Peak 1366 from nnoeabs.peaks (1.43, 9.18, 125.98 ppm; 3.84 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 56 + H ILE 56 OK 99 100 100 99 2.8-4.9 2.1/1368=81, 2.9/1364=66...(10) HB3 LEU 4 + H ILE 56 OK 60 92 100 65 3.5-5.0 4.4/9529=30...(7) HB2 LEU 4 - H ILE 56 far 9 92 10 - 4.9-6.6 HB3 LEU 63 - H ILE 56 far 0 100 0 - 9.9-11.0 HG LEU 80 - H ILE 56 far 0 81 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1367 from nnoeabs.peaks (0.96, 9.18, 125.98 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 56 OK 100 100 100 100 4.2-4.6 4.6=100 QD1 LEU 38 - H ILE 56 far 0 99 0 - 8.6-9.8 QD1 ILE 3 - H ILE 56 far 0 90 0 - 8.6-10.0 HD3 LYS 2 - H ILE 56 far 0 100 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 1368 from nnoeabs.peaks (0.66, 9.18, 125.98 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.96: * QD1 ILE 56 + H ILE 56 OK 96 100 100 96 3.0-3.5 4473/4.0=47, 3.2/1364=47...(11) QD2 LEU 4 - H ILE 56 poor 17 70 25 - 4.0-5.8 QD1 LEU 4 - H ILE 56 far 3 61 5 - 4.6-6.1 QD1 ILE 71 - H ILE 56 far 0 97 0 - 5.3-7.0 Violated in 4 structures by 0.01 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1371 from nnoeabs.peaks (1.82, 8.54, 127.24 ppm; 3.38 A): 1 out of 5 assignments used, quality = 0.98: * HB ILE 57 + H ILE 57 OK 98 100 100 98 2.8-3.7 4502=68, 2.9/1373=49...(12) HB ILE 18 - H ILE 57 far 0 100 0 - 8.3-9.8 HG12 ILE 5 - H ILE 57 far 0 73 0 - 8.6-11.1 QE MET 121 - H ILE 57 far 0 97 0 - 9.4-13.3 HB3 LYS 19 - H ILE 57 far 0 90 0 - 9.6-11.0 Violated in 4 structures by 0.06 A. Peak 1372 from nnoeabs.peaks (0.84, 8.54, 127.24 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 57 + H ILE 57 OK 99 100 100 99 3.6-4.0 2.1/1371=71, 4.0=69...(11) HG13 ILE 57 + H ILE 57 OK 60 61 100 97 2.5-4.2 1.8/1373=69, 2.9/1371=58...(10) QG2 ILE 15 - H ILE 57 far 0 97 0 - 5.5-6.8 QG2 ILE 5 - H ILE 57 far 0 100 0 - 6.9-8.5 QG2 VAL 22 - H ILE 57 far 0 81 0 - 7.2-9.6 HG13 ILE 5 - H ILE 57 far 0 98 0 - 9.0-10.8 QD2 LEU 82 - H ILE 57 far 0 77 0 - 9.8-12.7 Violated in 2 structures by 0.01 A. Peak 1373 from nnoeabs.peaks (1.46, 8.54, 127.24 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.99: * HG12 ILE 57 + H ILE 57 OK 99 100 100 99 2.0-3.8 4516=71, 2.9/1371=62...(12) HG3 ARG 30 - H ILE 57 poor 19 96 20 - 4.8-6.8 HB3 LEU 38 - H ILE 57 far 0 100 0 - 6.7-8.0 HG12 ILE 7 - H ILE 57 far 0 100 0 - 7.0-9.4 HB3 LEU 6 - H ILE 57 far 0 100 0 - 8.0-8.8 HG LEU 4 - H ILE 57 far 0 94 0 - 8.0-11.5 Violated in 4 structures by 0.01 A. Peak 1374 from nnoeabs.peaks (0.86, 8.54, 127.24 ppm; 3.60 A): 2 out of 9 assignments used, quality = 0.99: * HG13 ILE 57 + H ILE 57 OK 98 100 100 98 2.5-4.2 1.8/1373=71, 2.9/1371=60...(10) QG2 ILE 57 + H ILE 57 OK 61 61 100 99 3.6-4.0 2.1/1371=73, 4.0=73...(11) QG2 ILE 15 - H ILE 57 far 0 87 0 - 5.5-6.8 QG1 VAL 32 - H ILE 57 far 0 96 0 - 5.6-6.3 QG2 THR 9 - H ILE 57 far 0 99 0 - 6.7-7.9 QG2 ILE 5 - H ILE 57 far 0 65 0 - 6.9-8.5 QG2 VAL 22 - H ILE 57 far 0 99 0 - 7.2-9.6 HG13 ILE 5 - H ILE 57 far 0 84 0 - 9.0-10.8 QG2 VAL 117 - H ILE 57 far 0 98 0 - 9.1-10.6 Violated in 1 structures by 0.00 A. Peak 1375 from nnoeabs.peaks (0.71, 8.54, 127.24 ppm; 3.01 A): 2 out of 9 assignments used, quality = 0.99: * QD1 ILE 57 + H ILE 57 OK 95 100 100 95 2.7-4.3 2.1/1373=46, 3.2/1371=39...(12) QG2 ILE 56 + H ILE 57 OK 80 84 100 96 1.9-4.0 2.9/344=45, 3.2/339=45...(14) QD1 LEU 6 - H ILE 57 far 14 96 15 - 4.3-5.8 QG2 ILE 18 - H ILE 57 far 0 90 0 - 6.3-8.4 QD2 LEU 63 - H ILE 57 far 0 100 0 - 6.9-8.9 QG1 VAL 117 - H ILE 57 far 0 81 0 - 7.8-9.2 QG2 VAL 78 - H ILE 57 far 0 65 0 - 8.3-9.8 QD2 LEU 81 - H ILE 57 far 0 100 0 - 8.3-9.5 QD2 LEU 45 - H ILE 57 far 0 65 0 - 8.4-10.0 Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1378 from nnoeabs.peaks (3.78, 8.81, 119.27 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 58 + H SER 58 OK 100 100 100 100 2.8-3.7 4.0=100 HA LYS 65 - H SER 58 far 0 81 0 - 9.8-11.1 HA LEU 68 - H SER 58 far 0 100 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA ASN 59 + H ASN 59 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 34 - H ASN 59 far 0 96 0 - 7.1-8.4 HA ASN 11 - H ASN 59 far 0 65 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1383 from nnoeabs.peaks (2.87, 8.79, 122.38 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 59 + H ASN 59 OK 98 100 100 98 2.4-3.8 4.0=95, 4.6/356=43...(4) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1388 from nnoeabs.peaks (2.73, 7.86, 119.74 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASP 60 + H ASP 60 OK 98 100 100 98 2.9-3.7 4.0=80, 1.8/1389=74...(9) HG3 GLU 37 - H ASP 60 far 0 97 0 - 8.6-12.2 Violated in 1 structures by 0.00 A. Peak 1389 from nnoeabs.peaks (2.57, 7.86, 119.74 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 60 + H ASP 60 OK 98 100 100 98 2.3-2.6 4.0=79, 1.8/1388=73...(7) HG2 MET 67 - H ASP 60 far 0 100 0 - 7.8-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1392 from nnoeabs.peaks (1.52, 8.90, 125.82 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + H LYS 61 OK 100 100 100 100 2.3-3.6 3.7=100 HG LEU 6 - H LYS 61 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1393 from nnoeabs.peaks (1.43, 8.90, 125.82 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 61 + H LYS 61 OK 100 100 100 100 2.3-3.6 3.7=100 HB3 LEU 63 - H LYS 61 far 0 98 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 1394 from nnoeabs.peaks (1.03, 8.90, 125.82 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.94: * HG2 LYS 61 + H LYS 61 OK 94 100 100 94 1.9-3.7 1.8/1395=75, 4.8=61, 370/1904=40 Violated in 0 structures by 0.00 A. Peak 1395 from nnoeabs.peaks (1.26, 8.90, 125.82 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.94: * HG3 LYS 61 + H LYS 61 OK 94 100 100 94 2.8-4.0 1.8/1394=77, 4.8=62, 371/1904=28 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1402 from nnoeabs.peaks (2.17, 8.43, 118.92 ppm; 2.93 A): 2 out of 2 assignments used, quality = 0.97: HB3 GLN 62 + H GLN 62 OK 81 100 100 81 2.1-3.6 4.0=38, 4.6/1905=23...(9) * HB2 GLN 62 + H GLN 62 OK 81 100 100 81 2.7-3.6 4.0=38, 4.6/1905=23...(9) Violated in 0 structures by 0.00 A. Peak 1403 from nnoeabs.peaks (2.17, 8.43, 118.92 ppm; 2.93 A): 2 out of 2 assignments used, quality = 0.97: * HB3 GLN 62 + H GLN 62 OK 81 100 100 81 2.1-3.6 4.0=38, 4.6/1905=23...(9) HB2 GLN 62 + H GLN 62 OK 81 100 100 81 2.7-3.6 4.0=38, 4.6/1905=23...(9) Violated in 0 structures by 0.00 A. Peak 1404 from nnoeabs.peaks (2.41, 8.43, 118.92 ppm; 3.41 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 62 + H GLN 62 OK 94 100 100 94 1.9-3.9 4693=35, 3.0/1403=31...(13) HG3 GLN 62 + H GLN 62 OK 94 100 100 94 2.7-4.4 4701=35, 3.0/1403=31...(13) HG3 MET 67 - H GLN 62 far 0 65 0 - 7.8-11.5 Violated in 3 structures by 0.03 A. Peak 1405 from nnoeabs.peaks (2.41, 8.43, 118.92 ppm; 3.41 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLN 62 + H GLN 62 OK 94 100 100 94 1.9-3.9 4693=35, 3.0/1403=31...(13) * HG3 GLN 62 + H GLN 62 OK 94 100 100 94 2.7-4.4 4701=35, 3.0/1403=31...(13) HG3 MET 67 - H GLN 62 far 0 70 0 - 7.8-11.5 Violated in 3 structures by 0.03 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1410 from nnoeabs.peaks (1.87, 7.67, 120.07 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + H LEU 63 OK 100 100 100 100 2.1-2.4 4716=83, 1.8/1411=67...(15) QE MET 67 - H LEU 63 far 9 94 10 - 4.8-5.8 QE MET 42 - H LEU 63 far 0 99 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 1411 from nnoeabs.peaks (1.43, 7.67, 120.07 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 63 + H LEU 63 OK 100 100 100 100 3.5-3.6 4723=83, 1.8/1410=78...(15) HB3 LYS 61 - H LEU 63 far 15 98 15 - 5.1-5.9 HG12 ILE 56 - H LEU 63 far 0 100 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1412 from nnoeabs.peaks (1.62, 7.67, 120.07 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 63 + H LEU 63 OK 100 100 100 100 2.6-3.2 4730=72, 2.1/1413=50...(14) HB3 LEU 64 + H LEU 63 OK 70 94 95 78 4.4-5.1 3.6/384=49, 4.2/2086=22...(7) Violated in 0 structures by 0.00 A. Peak 1413 from nnoeabs.peaks (0.71, 7.67, 120.07 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 63 + H LEU 63 OK 100 100 100 100 2.9-4.1 4737=79, 2.1/4730=75...(12) QD1 LEU 6 - H LEU 63 far 0 98 0 - 6.5-7.2 QG2 ILE 56 - H LEU 63 far 0 77 0 - 7.3-10.0 Violated in 14 structures by 0.06 A. Peak 1414 from nnoeabs.peaks (0.74, 7.67, 120.07 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 63 + H LEU 63 OK 100 100 100 100 3.4-4.0 2.1/4730=76, 2.1/1413=72...(14) QD2 LEU 6 - H LEU 63 far 0 98 0 - 6.9-8.1 QG2 ILE 7 - H LEU 63 far 0 100 0 - 9.7-10.8 Violated in 2 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 100 100 2.7-2.8 2.9=100 HA LEU 38 - H LEU 64 far 0 99 0 - 8.0-9.0 HB2 SER 35 - H LEU 64 far 0 87 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 1417 from nnoeabs.peaks (1.79, 7.63, 117.70 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 100 100 100 100 2.5-3.5 3.6=96, 4781/1420=54...(14) HB VAL 32 - H LEU 64 far 0 84 0 - 6.1-6.9 Violated in 0 structures by 0.00 A. Peak 1418 from nnoeabs.peaks (1.63, 7.63, 117.70 ppm; 3.15 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 99 100 100 99 2.1-2.6 3.6=64, 1.8/1417=56...(16) HG LEU 64 + H LEU 64 OK 82 84 100 97 4.0-4.6 2.1/1420=53, 2.1/1421=50...(13) HG LEU 63 + H LEU 64 OK 39 94 45 92 4.3-4.7 2.1/390=44, 4730/384=40...(12) HB2 LEU 82 - H LEU 64 far 0 96 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 1419 from nnoeabs.peaks (1.64, 7.63, 117.70 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 64 + H LEU 64 OK 98 100 100 98 4.0-4.6 2.1/1420=53, 2.1/1421=50...(13) HB3 LEU 64 + H LEU 64 OK 83 84 100 99 2.1-2.6 3.6=64, 1.8/1417=56...(16) HD3 LYS 65 - H LEU 64 far 0 94 0 - 5.5-7.2 HD2 LYS 65 - H LEU 64 far 0 87 0 - 5.7-7.5 Violated in 0 structures by 0.00 A. Peak 1420 from nnoeabs.peaks (0.81, 7.63, 117.70 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 1.9-4.3 2.1/1421=65, 4756/2.9=59...(11) QD2 LEU 82 - H LEU 64 far 0 90 0 - 6.6-9.9 QG2 ILE 71 - H LEU 64 far 0 100 0 - 9.1-10.7 Violated in 18 structures by 0.25 A. Peak 1421 from nnoeabs.peaks (0.78, 7.63, 117.70 ppm; 3.71 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 2.2-4.1 2.1/1420=72, 4757/2.9=62...(12) QD1 LEU 80 - H LEU 64 far 0 96 0 - 6.0-8.9 QD2 LEU 80 - H LEU 64 far 0 97 0 - 6.2-8.9 QD1 LEU 82 - H LEU 64 far 0 99 0 - 8.0-9.9 QD1 ILE 15 - H LEU 64 far 0 61 0 - 8.5-10.5 QD1 ILE 7 - H LEU 64 far 0 73 0 - 8.7-10.3 Violated in 19 structures by 0.32 A. 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): 2 out of 7 assignments used, quality = 1.00: * HA LYS 65 + H LYS 65 OK 100 100 100 100 2.7-2.9 3.0=100 HA LYS 115 + H ARG 118 OK 61 64 100 95 3.1-3.4 8261=61, 8264/4.1=38...(12) HB2 SER 58 - H THR 9 far 0 56 0 - 5.0-7.2 HB2 SER 58 - H LYS 65 far 0 81 0 - 5.6-7.4 HA LEU 68 - H LYS 65 far 0 77 0 - 6.9-7.4 HA ALA 113 - H ARG 118 far 0 64 0 - 7.0-7.5 HA ALA 113 - H THR 9 far 0 74 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 1424 from nnoeabs.peaks (1.93, 8.04, 118.31 ppm; 3.10 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LYS 65 + H LYS 65 OK 98 100 100 98 2.3-3.4 4.0=47, 2.9/1426=41...(22) HB3 LYS 65 + H LYS 65 OK 97 100 100 97 2.1-3.6 4.0=47, 2.9/1426=41...(24) HB3 LYS 115 - H ARG 118 far 0 68 0 - 5.0-5.9 HG2 MET 121 - H ARG 118 far 0 40 0 - 5.1-7.7 HB2 LYS 115 - H ARG 118 far 0 64 0 - 5.3-5.9 HB2 LEU 81 - H THR 9 far 0 54 0 - 6.3-9.2 HB ILE 15 - H THR 9 far 0 41 0 - 6.7-8.4 HB2 LEU 81 - H ARG 118 far 0 45 0 - 6.8-8.0 HB3 LYS 17 - H ARG 118 far 0 52 0 - 8.7-11.3 HB2 LYS 123 - H ARG 118 far 0 68 0 - 8.7-11.2 HB2 LEU 70 - H LYS 65 far 0 96 0 - 8.8-11.1 HB2 GLU 41 - H LYS 65 far 0 73 0 - 9.6-11.6 HB3 LYS 17 - H THR 9 far 0 62 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1425 from nnoeabs.peaks (1.93, 8.04, 118.31 ppm; 3.10 A): 2 out of 14 assignments used, quality = 1.00: HB2 LYS 65 + H LYS 65 OK 98 100 100 98 2.3-3.4 4.0=47, 2.9/1426=41...(22) * HB3 LYS 65 + H LYS 65 OK 97 100 100 97 2.1-3.6 4.0=47, 2.9/1426=41...(24) HB3 LYS 115 - H ARG 118 far 0 68 0 - 5.0-5.9 HG2 MET 121 - H ARG 118 far 0 42 0 - 5.1-7.7 HB2 LYS 115 - H ARG 118 far 0 65 0 - 5.3-5.9 HB2 LEU 81 - H THR 9 far 0 56 0 - 6.3-9.2 HB ILE 15 - H THR 9 far 0 44 0 - 6.7-8.4 HB2 LEU 81 - H ARG 118 far 0 48 0 - 6.8-8.0 HB3 LYS 17 - H ARG 118 far 0 55 0 - 8.7-11.3 HB2 LYS 123 - H ARG 118 far 0 68 0 - 8.7-11.2 HB2 LEU 70 - H LYS 65 far 0 94 0 - 8.8-11.1 HB2 GLU 41 - H LYS 65 far 0 70 0 - 9.6-11.6 HB3 LYS 123 - H ARG 118 far 0 34 0 - 9.8-10.5 HB3 LYS 17 - H THR 9 far 0 65 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1426 from nnoeabs.peaks (1.55, 8.04, 118.31 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 65 + H LYS 65 OK 100 100 100 100 1.9-4.3 4823=61, 4797/3.0=60...(19) HG2 LYS 115 - H ARG 118 far 3 52 5 - 5.1-6.6 HG LEU 55 - H ARG 118 far 0 40 0 - 8.8-11.6 HG LEU 55 - H THR 9 far 0 48 0 - 9.5-11.9 HG2 LYS 65 - H THR 9 far 0 79 0 - 9.6-14.0 Violated in 3 structures by 0.06 A. Peak 1427 from nnoeabs.peaks (1.34, 8.04, 118.31 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 65 + H LYS 65 OK 100 100 100 100 3.2-4.6 1.8/1426=90, 4833=73...(20) HB3 LEU 81 - H THR 9 far 0 62 0 - 6.3-8.1 HG LEU 81 - H THR 9 far 0 78 0 - 6.8-7.8 HB3 LEU 81 - H ARG 118 far 0 52 0 - 7.0-8.1 HG LEU 81 - H ARG 118 far 0 67 0 - 7.5-8.2 Violated in 4 structures by 0.06 A. Peak 1428 from nnoeabs.peaks (1.65, 8.04, 118.31 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: HD3 LYS 65 + H LYS 65 OK 98 100 100 98 3.5-4.8 3.0/1426=50, 3.0/1427=40...(23) * HD2 LYS 65 + H LYS 65 OK 88 100 90 98 3.6-5.0 3.0/1426=50, 3.0/1427=40...(23) HG LEU 64 + H LYS 65 OK 77 87 100 89 3.1-4.6 2.1/397=36, 2.1/396=34...(10) HD3 LYS 115 - H ARG 118 far 0 65 0 - 5.0-7.9 HD2 LYS 115 - H ARG 118 far 0 67 0 - 5.4-7.6 HG LEU 64 - H THR 9 far 0 62 0 - 6.2-8.9 HG LEU 114 - H ARG 118 far 0 67 0 - 6.9-8.0 HB ILE 5 - H ARG 118 far 0 61 0 - 8.0-9.3 HG LEU 114 - H THR 9 far 0 78 0 - 9.2-12.2 Violated in 3 structures by 0.01 A. Peak 1429 from nnoeabs.peaks (1.65, 8.04, 118.31 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 65 + H LYS 65 OK 98 100 100 98 3.5-4.8 3.0/1426=50, 3.0/1427=40...(23) HD2 LYS 65 + H LYS 65 OK 88 100 90 98 3.6-5.0 3.0/1426=50, 3.0/1427=40...(23) HG LEU 64 + H LYS 65 OK 84 94 100 90 3.1-4.6 2.1/397=36, 2.1/396=34...(10) HD3 LYS 115 - H ARG 118 far 0 61 0 - 5.0-7.9 HD2 LYS 115 - H ARG 118 far 0 65 0 - 5.4-7.6 HG LEU 64 - H THR 9 far 0 69 0 - 6.2-8.9 HG LEU 114 - H ARG 118 far 0 68 0 - 6.9-8.0 HB ILE 5 - H ARG 118 far 0 65 0 - 8.0-9.3 HG LEU 114 - H THR 9 far 0 79 0 - 9.2-12.2 Violated in 3 structures by 0.01 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1434 from nnoeabs.peaks (2.04, 7.80, 119.36 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 66 + H GLU 66 OK 100 100 100 100 2.1-3.6 1.8/1435=68, 4889=67...(22) HB3 MET 67 - H GLU 66 far 5 94 5 - 4.6-6.5 HB3 GLN 100 - H GLU 66 far 0 96 0 - 9.6-11.3 Violated in 6 structures by 0.10 A. Peak 1435 from nnoeabs.peaks (2.09, 7.80, 119.36 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 66 + H GLU 66 OK 100 100 100 100 2.1-3.5 4895=80, 1.8/1434=71...(16) HB3 GLU 69 - H GLU 66 far 0 99 0 - 6.5-7.4 Violated in 14 structures by 0.18 A. Peak 1436 from nnoeabs.peaks (2.39, 7.80, 119.36 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 66 + H GLU 66 OK 100 100 100 100 2.0-4.2 4901=100, 4904/1435=73...(21) HG3 MET 67 + H GLU 66 OK 48 99 60 80 3.8-7.3 4941/408=38, 419/2094=28...(10) Violated in 2 structures by 0.01 A. Peak 1437 from nnoeabs.peaks (2.19, 7.80, 119.36 ppm; 3.87 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 66 + H GLU 66 OK 100 100 100 100 3.0-4.1 4907=85, 4910/1435=78...(18) HB2 MET 67 + H GLU 66 OK 37 73 60 83 5.2-6.2 413/408=62, 4.6/2094=28...(6) HB2 GLU 69 - H GLU 66 far 12 81 15 - 5.1-6.9 HB2 MET 42 - H GLU 66 far 0 99 0 - 9.0-10.4 Violated in 11 structures by 0.04 A. 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 3 assignments used, quality = 1.00: * HA MET 67 + H MET 67 OK 100 100 100 100 2.8-2.9 2.9=100 HB3 SER 35 - H MET 67 far 0 100 0 - 7.4-9.6 HA ILE 97 - H MET 67 far 0 92 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 1440 from nnoeabs.peaks (2.20, 8.39, 118.40 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.96: * HB2 MET 67 + H MET 67 OK 96 100 100 96 2.5-3.5 4.0=49, 3.0/1442=40...(14) HG3 GLU 66 - H MET 67 far 7 73 10 - 2.4-5.1 HB2 GLU 69 - H MET 67 far 0 100 0 - 5.0-6.6 HB2 MET 42 - H MET 67 far 0 87 0 - 6.7-8.0 Violated in 1 structures by 0.02 A. Peak 1441 from nnoeabs.peaks (2.05, 8.39, 118.40 ppm; 3.08 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 67 + H MET 67 OK 97 100 100 97 2.1-3.6 1.8/1440=65, 4.0=44...(11) HB2 GLU 66 + H MET 67 OK 91 94 100 97 2.7-4.1 1.8/411=60, 4.1=43...(15) HB3 GLN 100 - H MET 67 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 1442 from nnoeabs.peaks (2.57, 8.39, 118.40 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.99: * HG2 MET 67 + H MET 67 OK 99 100 100 99 1.7-4.4 3.0/1440=69, 4934=67...(13) HB3 ASP 60 - H MET 67 far 0 100 0 - 7.7-9.4 Violated in 4 structures by 0.06 A. Peak 1443 from nnoeabs.peaks (2.40, 8.39, 118.40 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 67 + H MET 67 OK 100 100 100 100 1.7-4.6 1.8/1442=73, 3.0/1440=68...(20) HG2 GLU 66 + H MET 67 OK 99 99 100 99 2.9-5.0 4904/411=67, 4902/3.6=56...(13) HG3 GLN 62 - H MET 67 far 0 70 0 - 6.1-9.6 HG2 GLN 62 - H MET 67 far 0 65 0 - 6.6-9.2 Violated in 3 structures by 0.01 A. Peak 1444 from nnoeabs.peaks (1.88, 8.39, 118.40 ppm; 4.55 A): 3 out of 5 assignments used, quality = 1.00: * QE MET 67 + H MET 67 OK 100 100 100 100 2.8-3.9 4948=100, 4949/2.9=80...(16) HB2 LEU 63 + H MET 67 OK 73 94 90 86 5.6-6.3 3.0/2098=45...(8) QE MET 42 + H MET 67 OK 37 81 50 91 4.3-6.8 9424/2.9=45...(9) HB ILE 71 - H MET 67 far 0 73 0 - 6.4-8.8 HB3 LYS 73 - H MET 67 far 0 81 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + H LEU 68 OK 100 100 100 100 2.7-2.8 3.0=100 HA LYS 65 + H LEU 68 OK 69 77 100 90 3.3-3.9 8129/421=30...(12) HB2 SER 58 - H LEU 68 far 0 100 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 1447 from nnoeabs.peaks (1.75, 8.47, 118.27 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LEU 68 + H LEU 68 OK 99 100 100 99 2.1-3.4 4962=67, 1.8/1448=65...(10) HB2 LEU 80 - H LEU 68 far 0 98 0 - 8.8-10.1 Violated in 1 structures by 0.00 A. Peak 1448 from nnoeabs.peaks (1.38, 8.47, 118.27 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 68 + H LEU 68 OK 100 100 100 100 2.1-3.6 1.8/1447=79, 4.0=70...(10) HG3 LYS 43 - H LEU 68 far 0 90 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 1449 from nnoeabs.peaks (1.59, 8.47, 118.27 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HG LEU 68 + H LEU 68 OK 99 100 100 99 2.4-3.2 4976=55, 3.0/1447=50...(14) HB3 LEU 70 - H LEU 68 far 0 65 0 - 4.8-6.9 HG2 LYS 73 - H LEU 68 far 0 94 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 1450 from nnoeabs.peaks (0.51, 8.47, 118.27 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + H LEU 68 OK 100 100 100 100 3.6-4.0 2.1/1449=83, 2.1/1451=67...(13) Violated in 11 structures by 0.03 A. Peak 1451 from nnoeabs.peaks (0.38, 8.47, 118.27 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + H LEU 68 OK 100 100 100 100 3.5-4.0 2.1/1449=87, 2.1/1450=74...(13) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 69 + H GLU 69 OK 100 100 100 100 2.7-2.8 2.9=100 HA LYS 44 - H ALA 46 far 10 68 15 - 4.6-4.9 Violated in 0 structures by 0.00 A. Peak 1454 from nnoeabs.peaks (2.20, 7.63, 118.68 ppm; 3.11 A): 1 out of 7 assignments used, quality = 0.99: * HB2 GLU 69 + H GLU 69 OK 99 100 100 99 2.1-3.2 1.8/1455=64, 4.0=45...(17) HB2 MET 67 - H GLU 69 far 0 100 0 - 4.8-6.3 HG2 GLU 48 - H ALA 46 far 0 72 0 - 5.2-8.7 HB2 MET 42 - H ALA 46 far 0 61 0 - 5.9-6.7 HG3 GLU 66 - H GLU 69 far 0 81 0 - 6.2-7.5 HB2 GLN 100 - H GLU 69 far 0 94 0 - 6.3-8.0 HB2 MET 42 - H GLU 69 far 0 92 0 - 6.8-8.0 Violated in 1 structures by 0.01 A. Peak 1455 from nnoeabs.peaks (2.09, 7.63, 118.68 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 69 + H GLU 69 OK 100 100 100 100 3.2-3.6 5009=81, 1.8/1454=74...(14) HB3 GLU 66 - H GLU 69 far 0 99 0 - 5.5-6.2 HG2 GLU 52 - H ALA 46 far 0 58 0 - 7.3-14.9 Violated in 19 structures by 0.30 A. Peak 1456 from nnoeabs.peaks (2.27, 7.63, 118.68 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 69 + H GLU 69 OK 100 100 100 100 1.9-4.1 5015=99, 5017/1454=82...(13) HB3 ASN 8 - H GLU 69 far 0 100 0 - 9.8-11.3 Violated in 1 structures by 0.01 A. Peak 1457 from nnoeabs.peaks (2.44, 7.63, 118.68 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 69 + H GLU 69 OK 100 100 100 100 2.0-3.8 5021=89, 5024/1455=68...(12) HG2 GLN 100 - H GLU 69 far 0 99 0 - 5.4-8.3 Violated in 4 structures by 0.02 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1460 from nnoeabs.peaks (1.94, 7.72, 119.50 ppm; 3.34 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.3-3.6 1.8/1461=71, 3.8=68...(14) HB3 MET 42 - H LEU 70 far 10 96 10 - 4.8-6.2 HB3 LYS 65 - H LEU 70 far 0 94 0 - 6.8-8.7 HB2 LYS 65 - H LEU 70 far 0 96 0 - 7.1-8.3 HB3 GLU 41 - H LEU 70 far 0 97 0 - 7.8-9.7 HB2 GLU 41 - H LEU 70 far 0 96 0 - 8.1-10.0 HB2 LYS 39 - H LEU 70 far 0 96 0 - 9.0-11.7 HB3 LYS 39 - H LEU 70 far 0 98 0 - 9.3-11.6 Violated in 17 structures by 0.17 A. Peak 1461 from nnoeabs.peaks (1.57, 7.72, 119.50 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + H LEU 70 OK 100 100 100 100 2.2-3.6 1.8/1460=71, 3.8=68...(15) HG LEU 68 - H LEU 70 far 0 65 0 - 6.2-6.7 HB VAL 78 - H LEU 70 far 0 84 0 - 7.9-9.0 Violated in 3 structures by 0.03 A. Peak 1462 from nnoeabs.peaks (1.85, 7.72, 119.50 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 70 + H LEU 70 OK 100 100 100 100 2.6-3.4 5048=74, 3.0/1460=50...(13) QE MET 42 - H LEU 70 far 7 65 10 - 3.8-6.4 Violated in 4 structures by 0.01 A. Peak 1463 from nnoeabs.peaks (0.91, 7.72, 119.50 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 2.4-3.3 2.1/1462=71, 5056/3.0=56...(15) QD2 LEU 70 + H LEU 70 OK 100 100 100 100 3.9-4.3 2.1/1462=71, 5062=68...(15) QD2 LEU 38 - H LEU 70 far 0 70 0 - 6.2-7.6 HG13 ILE 97 - H LEU 70 far 0 61 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 1464 from nnoeabs.peaks (0.90, 7.72, 119.50 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 3.9-4.3 2.1/1462=71, 5062=68...(15) QD1 LEU 70 + H LEU 70 OK 100 100 100 100 2.4-3.3 2.1/1462=71, 5056/3.0=56...(15) QD2 LEU 38 - H LEU 70 far 0 81 0 - 6.2-7.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ILE 71 + H ILE 71 OK 100 100 100 100 2.8-2.9 3.0=100 HA2 GLY 101 - H ILE 71 far 0 77 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 1467 from nnoeabs.peaks (1.90, 8.60, 116.79 ppm; 3.40 A): 1 out of 8 assignments used, quality = 0.99: * HB ILE 71 + H ILE 71 OK 99 100 100 99 2.3-3.6 5076=66, 2.1/5083=52...(10) HB3 LYS 73 - H ILE 71 far 0 100 0 - 5.3-7.4 HB2 LYS 73 - H ILE 71 far 0 100 0 - 5.6-7.2 QE MET 67 - H ILE 71 far 0 73 0 - 6.3-7.5 HG LEU 45 - H ILE 71 far 0 81 0 - 7.9-9.6 HB2 LEU 45 - H ILE 71 far 0 96 0 - 8.4-9.5 HB2 LYS 43 - H ILE 71 far 0 90 0 - 9.4-11.2 HB3 LYS 43 - H ILE 71 far 0 99 0 - 9.6-11.6 Violated in 7 structures by 0.02 A. Peak 1468 from nnoeabs.peaks (0.82, 8.60, 116.79 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + H ILE 71 OK 100 100 100 100 2.8-3.8 5083=84, 2.1/1467=77...(12) QD1 LEU 74 + H ILE 71 OK 71 100 75 95 3.3-7.2 9819/3.0=48, ~11347=28...(15) QD2 LEU 74 - H ILE 71 poor 20 100 20 - 4.5-7.1 QD1 LEU 64 - H ILE 71 far 0 100 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 1469 from nnoeabs.peaks (1.69, 8.60, 116.79 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 71 + H ILE 71 OK 100 100 100 100 1.4-3.4 1.8/1470=68, 3.0/1467=61...(14) HG LEU 74 + H ILE 71 OK 37 92 45 89 4.5-6.6 2.1/1468=28, ~9819=28...(12) HD2 LYS 73 - H ILE 71 far 5 94 5 - 4.8-8.6 HD3 LYS 73 - H ILE 71 far 5 92 5 - 5.1-8.0 HD2 LYS 43 - H ILE 71 far 0 77 0 - 7.2-11.8 HD3 LYS 43 - H ILE 71 far 0 92 0 - 7.6-10.2 HB ILE 56 - H ILE 71 far 0 99 0 - 8.4-9.5 HD2 LYS 39 - H ILE 71 far 0 87 0 - 9.5-14.8 HD3 LYS 39 - H ILE 71 far 0 90 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 1470 from nnoeabs.peaks (1.02, 8.60, 116.79 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 71 + H ILE 71 OK 100 100 100 100 1.8-4.0 3.0/1467=67, 2.1/1471=66...(12) HG12 ILE 97 - H ILE 71 far 0 61 0 - 9.2-12.5 HG3 LYS 2 - H ILE 71 far 0 84 0 - 9.4-13.4 Violated in 1 structures by 0.01 A. Peak 1471 from nnoeabs.peaks (0.65, 8.60, 116.79 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 71 + H ILE 71 OK 100 100 100 100 2.3-3.7 5104=86, 2.1/1470=75...(12) QD1 LEU 4 - H ILE 71 far 13 87 15 - 5.2-8.6 QD1 ILE 56 - H ILE 71 far 0 97 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA SER 72 + H SER 72 OK 100 100 100 100 2.7-2.9 2.9=100 HA MET 42 - H SER 72 far 0 65 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 1474 from nnoeabs.peaks (4.12, 8.02, 116.52 ppm; 3.33 A): 2 out of 2 assignments used, quality = 0.97: HB3 SER 72 + H SER 72 OK 83 100 100 83 2.2-2.9 4.0=57, 4.6/448=28...(6) * HB2 SER 72 + H SER 72 OK 83 100 100 83 2.2-3.1 4.0=57, 4.6/448=28...(5) Violated in 0 structures by 0.00 A. Peak 1475 from nnoeabs.peaks (4.12, 8.02, 116.52 ppm; 3.33 A): 2 out of 2 assignments used, quality = 0.97: * HB3 SER 72 + H SER 72 OK 83 100 100 83 2.2-2.9 4.0=57, 4.6/448=28...(6) HB2 SER 72 + H SER 72 OK 83 100 100 83 2.2-3.1 4.0=57, 4.6/448=28...(5) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LYS 73 + H LYS 73 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLN 100 - H LYS 73 far 0 61 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 1478 from nnoeabs.peaks (1.90, 7.72, 120.73 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 73 + H LYS 73 OK 98 100 100 98 2.1-3.6 4.0=63, 2.9/1480=50...(12) * HB2 LYS 73 + H LYS 73 OK 98 100 100 98 2.6-3.6 4.0=63, 2.9/1480=50...(13) HB ILE 71 - H LYS 73 poor 18 100 25 70 4.8-5.5 4.5/448=30, 1467/2125=23...(7) HB2 LEU 45 - H LYS 73 far 0 94 0 - 9.1-10.9 HG LEU 45 - H LYS 73 far 0 84 0 - 9.6-11.8 QE MET 67 - H LYS 73 far 0 77 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1479 from nnoeabs.peaks (1.89, 7.72, 120.73 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 73 + H LYS 73 OK 98 100 100 98 2.1-3.6 4.0=63, 2.9/1480=50...(12) HB2 LYS 73 + H LYS 73 OK 98 100 100 98 2.6-3.6 4.0=63, 2.9/1480=50...(13) HB ILE 71 - H LYS 73 poor 18 100 25 70 4.8-5.5 4.5/448=30, 1467/2125=23...(7) HB2 LEU 45 - H LYS 73 far 0 92 0 - 9.1-10.9 HG LEU 45 - H LYS 73 far 0 87 0 - 9.6-11.8 QE MET 67 - H LYS 73 far 0 81 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1480 from nnoeabs.peaks (1.60, 7.72, 120.73 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.98: * HG2 LYS 73 + H LYS 73 OK 98 100 100 98 1.9-3.9 1.8/1481=48, 4.9=42...(15) HG LEU 68 - H LYS 73 far 0 94 0 - 8.7-9.9 Violated in 3 structures by 0.03 A. Peak 1481 from nnoeabs.peaks (1.48, 7.72, 120.73 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 2.4-4.4 1.8/1480=85, 5128/3.0=65...(18) HB2 LEU 74 + H LYS 73 OK 31 87 45 79 4.3-6.3 3.8/452=58...(7) Violated in 0 structures by 0.00 A. Peak 1482 from nnoeabs.peaks (1.68, 7.72, 120.73 ppm; 4.12 A): 4 out of 6 assignments used, quality = 1.00: * HD2 LYS 73 + H LYS 73 OK 100 100 100 100 2.9-5.3 3.0/1480=69, 3.0/1481=47...(20) HD3 LYS 73 + H LYS 73 OK 100 100 100 100 2.4-5.0 3.0/1480=69, 3.0/1481=47...(19) HG12 ILE 71 + H LYS 73 OK 51 94 65 83 4.8-6.9 3.9/2124=33, 4.6/2125=31...(11) HG LEU 74 + H LYS 73 OK 38 61 75 82 3.7-6.5 4.9/452=44, 2.1/9814=19...(12) HD3 LYS 43 - H LYS 73 far 0 100 0 - 7.7-11.0 HD2 LYS 43 - H LYS 73 far 0 98 0 - 8.1-12.7 Violated in 1 structures by 0.00 A. Peak 1483 from nnoeabs.peaks (1.68, 7.72, 120.73 ppm; 4.12 A): 3 out of 5 assignments used, quality = 1.00: HD2 LYS 73 + H LYS 73 OK 100 100 100 100 2.9-5.3 3.0/1480=69, 3.0/1481=47...(20) * HD3 LYS 73 + H LYS 73 OK 100 100 100 100 2.4-5.0 3.0/1480=69, 3.0/1481=47...(19) HG12 ILE 71 + H LYS 73 OK 49 92 65 83 4.8-6.9 3.9/2124=33, 4.6/2125=31...(11) HD3 LYS 43 - H LYS 73 far 0 100 0 - 7.7-11.0 HD2 LYS 43 - H LYS 73 far 0 99 0 - 8.1-12.7 Violated in 3 structures by 0.01 A. Peak 1484 from nnoeabs.peaks (2.98, 7.72, 120.73 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 73 + H LYS 73 OK 100 100 100 100 4.1-6.8 3.8/1480=96, 6.7=80...(13) HE3 LYS 73 + H LYS 73 OK 99 99 100 100 4.4-6.7 3.8/1480=96, 6.7=80...(13) HE2 LYS 43 - H LYS 73 far 0 100 0 - 8.5-13.0 HE3 LYS 43 - H LYS 73 far 0 97 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 1485 from nnoeabs.peaks (2.98, 7.72, 120.73 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 73 + H LYS 73 OK 100 100 100 100 4.4-6.7 3.8/1480=96, 6.7=80...(13) HE2 LYS 73 + H LYS 73 OK 99 99 100 100 4.1-6.8 3.8/1480=96, 6.7=80...(13) HE2 LYS 43 - H LYS 73 far 0 100 0 - 8.5-13.0 HE3 LYS 43 - H LYS 73 far 0 100 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1488 from nnoeabs.peaks (1.47, 7.61, 117.57 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 74 + H LEU 74 OK 99 100 100 99 2.1-3.7 3.8=83, 3.1/5248=46...(12) HG3 LYS 73 + H LEU 74 OK 80 87 95 97 2.1-5.2 1.8/456=57, 5128/3.6=38...(17) HG3 LYS 20 - H LYS 16 far 0 86 0 - 6.8-10.7 HG LEU 4 - H LEU 74 far 0 77 0 - 8.4-11.4 HG12 ILE 57 - H LYS 16 far 0 94 0 - 8.4-10.1 HG12 ILE 7 - H LYS 16 far 0 92 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1490 from nnoeabs.peaks (1.70, 7.61, 117.57 ppm; 3.13 A): 3 out of 7 assignments used, quality = 0.99: * HG LEU 74 + H LEU 74 OK 94 100 100 94 2.1-4.2 2.1/5248=43, 5234=42...(14) HD3 LYS 16 + H LYS 16 OK 69 71 100 96 2.0-4.4 2.9/1106=48, 2.9/1107=38...(21) HD2 LYS 16 + H LYS 16 OK 58 60 100 96 2.3-4.3 2.9/1106=48, 2.9/1107=38...(20) HD2 LYS 73 - H LEU 74 poor 17 61 35 81 3.1-5.9 3.0/456=34, 3.0/457=22...(16) HG12 ILE 71 - H LEU 74 far 0 92 0 - 5.7-6.9 HD3 LYS 20 - H LYS 16 far 0 64 0 - 6.3-10.0 HD2 LYS 20 - H LYS 16 far 0 68 0 - 7.4-11.2 Violated in 1 structures by 0.02 A. Peak 1491 from nnoeabs.peaks (0.82, 7.61, 117.57 ppm; 3.05 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 74 + H LEU 74 OK 96 100 100 96 2.4-4.0 5249/2.9=51, 5248=44...(12) * QD1 LEU 74 + H LEU 74 OK 95 100 100 95 2.4-4.3 2.1/5248=40, 2.1/5234=37...(14) QG2 ILE 71 + H LEU 74 OK 33 100 45 72 3.9-5.1 3.2/9790=22, 9789/3.8=18...(11) QD1 LEU 114 - H LYS 16 far 0 81 0 - 5.9-9.1 QG1 VAL 29 - H LYS 16 far 0 64 0 - 6.2-7.7 Violated in 8 structures by 0.02 A. Peak 1492 from nnoeabs.peaks (0.82, 7.61, 117.57 ppm; 3.05 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 74 + H LEU 74 OK 96 100 100 96 2.4-4.0 5249/2.9=51, 5248=44...(12) QD1 LEU 74 + H LEU 74 OK 95 100 100 95 2.4-4.3 2.1/5248=40, 2.1/5234=37...(14) QG2 ILE 71 + H LEU 74 OK 33 100 45 72 3.9-5.1 3.2/9790=22, 9789/3.8=18...(11) QD1 LEU 114 - H LYS 16 far 0 75 0 - 5.9-9.1 QG1 VAL 29 - H LYS 16 far 0 56 0 - 6.2-7.7 Violated in 8 structures by 0.02 A. 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 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1495 from nnoeabs.peaks (4.01, 7.92, 105.99 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 75 + H GLY 75 OK 100 100 100 100 2.3-2.9 3.0=100 HA3 GLY 101 - H GLY 75 far 0 100 0 - 7.7-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1498 from nnoeabs.peaks (2.66, 7.37, 118.45 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.96: * HB2 TYR 76 + H TYR 76 OK 96 100 100 96 2.2-3.6 4.0=71, 2.5/1503=62...(7) HG2 MET 42 - H TYR 76 far 0 96 0 - 9.1-11.5 Violated in 4 structures by 0.00 A. 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 100 100 100 100 2.2-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1503 from nnoeabs.peaks (6.86, 7.37, 118.45 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.99: * QD TYR 76 + H TYR 76 OK 99 100 100 99 2.7-3.1 4605=81, 2.5/1498=63...(9) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LYS 77 + H LYS 77 OK 100 100 100 100 2.8-2.9 3.0=100 HA PHE 79 - H LYS 77 far 0 61 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 1506 from nnoeabs.peaks (1.84, 8.29, 122.87 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.93: * HB2 LYS 77 + H LYS 77 OK 73 100 100 73 2.2-3.2 4.0=66, 7692/4.7=14...(4) HB3 LYS 77 + H LYS 77 OK 73 100 100 73 2.2-2.9 4.0=66, 7692/4.7=14...(4) HG LEU 127 - H LYS 77 far 0 77 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 1507 from nnoeabs.peaks (1.84, 8.29, 122.87 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.93: * HB3 LYS 77 + H LYS 77 OK 73 100 100 73 2.2-2.9 4.0=66, 7692/4.7=14...(4) HB2 LYS 77 + H LYS 77 OK 73 100 100 73 2.2-3.2 4.0=66, 7692/4.7=14...(4) HG LEU 127 - H LYS 77 far 0 70 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.4 5.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1516 from nnoeabs.peaks (1.56, 7.83, 124.07 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.99: * HB VAL 78 + H VAL 78 OK 99 100 100 99 2.4-2.7 3.7=90, 2.1/1517=68...(6) HG12 ILE 3 - H VAL 78 far 0 99 0 - 6.7-8.4 HG2 LYS 123 - H VAL 78 far 0 65 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 1517 from nnoeabs.peaks (0.72, 7.83, 124.07 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.99: * QG2 VAL 78 + H VAL 78 OK 99 100 100 99 2.6-3.1 5409=91, 2.1/1516=66...(6) QD2 LEU 6 - H VAL 78 far 0 92 0 - 6.0-7.8 QD1 LEU 6 - H VAL 78 far 0 92 0 - 8.1-8.9 QD2 LEU 55 - H VAL 78 far 0 90 0 - 8.9-12.6 QG1 VAL 117 - H VAL 78 far 0 99 0 - 9.5-10.7 QD2 LEU 45 - H VAL 78 far 0 100 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1518 from nnoeabs.peaks (0.61, 7.83, 124.07 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 78 + H VAL 78 OK 100 100 100 100 3.7-3.9 4.0=97, 2.1/1517=81...(7) QD1 ILE 5 - H VAL 78 far 5 94 5 - 5.5-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA PHE 79 + H PHE 79 OK 100 100 100 100 2.9-2.9 3.0=100 HA LYS 77 - H PHE 79 far 0 61 0 - 6.1-6.2 Violated in 0 structures by 0.00 A. Peak 1521 from nnoeabs.peaks (1.04, 8.37, 126.17 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 79 + H PHE 79 OK 100 100 100 100 2.4-3.8 4.0=100 HG3 LYS 2 - H PHE 79 far 0 97 0 - 9.1-13.0 Violated in 0 structures by 0.00 A. Peak 1522 from nnoeabs.peaks (2.08, 8.37, 126.17 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 79 + H PHE 79 OK 100 100 100 100 2.6-3.8 4.0=100 HB2 GLU 103 - H PHE 79 far 4 87 5 - 5.7-8.3 HB3 MET 121 - H PHE 79 far 0 100 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 1526 from nnoeabs.peaks (6.72, 8.37, 126.17 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 79 + H PHE 79 OK 100 100 100 100 2.0-2.3 4636=100, 4634/491=53...(10) QE TYR 102 - H PHE 79 far 0 99 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1529 from nnoeabs.peaks (1.75, 8.60, 123.96 ppm; 3.95 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 80 + H LEU 80 OK 100 100 100 100 2.4-2.9 3.8=100 HG3 ARG 105 - H LEU 80 far 0 100 0 - 6.2-8.7 HB3 LEU 82 - H LEU 80 far 0 70 0 - 8.3-9.5 HB2 LEU 68 - H LEU 80 far 0 98 0 - 8.6-10.2 HB3 LYS 94 - H LEU 80 far 0 65 0 - 9.1-12.2 HD3 LYS 123 - H LEU 80 far 0 99 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1531 from nnoeabs.peaks (1.44, 8.60, 123.96 ppm; 4.98 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 80 + H LEU 80 OK 100 100 100 100 4.2-4.9 2.1/5502=85, 5.3=84...(9) HB3 LEU 6 + H LEU 80 OK 67 70 100 96 4.8-5.5 ~10670=40, ~9067=39...(12) HG12 ILE 7 - H LEU 80 far 7 65 10 - 6.4-8.6 HG2 LYS 106 - H LEU 80 far 0 61 0 - 8.6-12.0 HB2 LEU 4 - H LEU 80 far 0 99 0 - 8.9-10.2 HB3 LEU 4 - H LEU 80 far 0 99 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 1532 from nnoeabs.peaks (0.78, 8.60, 123.96 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 80 + H LEU 80 OK 99 100 100 99 2.9-4.6 4.7=74, 2.1/5502=66...(12) QD1 LEU 80 + H LEU 80 OK 99 100 100 99 3.6-4.7 5502=81, 5503/3.0=70...(10) QD1 LEU 81 - H LEU 80 poor 15 84 30 59 5.6-6.1 5537/4.7=31, 3.1/9943=26...(4) QD1 ILE 7 - H LEU 80 poor 11 94 25 47 4.9-7.3 9087/4.7=35, 9076/4.5=10...(4) QD1 LEU 82 - H LEU 80 far 5 100 5 - 5.2-7.4 QD2 LEU 64 - H LEU 80 far 0 97 0 - 5.9-9.2 QG1 VAL 107 - H LEU 80 far 0 84 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 1533 from nnoeabs.peaks (0.78, 8.60, 123.96 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 80 + H LEU 80 OK 99 100 100 99 2.9-4.6 4.7=74, 2.1/5502=66...(12) * QD1 LEU 80 + H LEU 80 OK 99 100 100 99 3.6-4.7 5502=81, 5503/3.0=70...(10) QD1 LEU 81 - H LEU 80 poor 14 81 30 58 5.6-6.1 5537/4.7=30, 3.1/9943=26...(4) QD1 ILE 7 - H LEU 80 poor 11 96 25 48 4.9-7.3 9087/4.7=36, 9076/4.5=10...(4) QD1 LEU 82 - H LEU 80 far 5 100 5 - 5.2-7.4 QD2 LEU 64 - H LEU 80 far 0 96 0 - 5.9-9.2 QG1 VAL 107 - H LEU 80 far 0 87 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LEU 81 + H LEU 81 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLN 83 - H LEU 81 far 0 94 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 1536 from nnoeabs.peaks (1.92, 9.06, 126.69 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + H LEU 81 OK 100 100 100 100 2.7-3.4 3.8=96, 3.1/5537=45...(20) Violated in 0 structures by 0.00 A. Peak 1537 from nnoeabs.peaks (1.36, 9.06, 126.69 ppm; 3.74 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 81 + H LEU 81 OK 100 100 100 100 2.5-3.1 3.8=92, 1.8/1536=72...(19) HG LEU 81 + H LEU 81 OK 91 92 100 99 4.3-4.6 3.0/1536=56, 2.1/5537=52...(12) HG2 LYS 94 - H LEU 81 far 0 84 0 - 8.5-12.2 HG3 LYS 65 - H LEU 81 far 0 87 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 1538 from nnoeabs.peaks (1.35, 9.06, 126.69 ppm; 3.74 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 81 + H LEU 81 OK 99 100 100 99 4.3-4.6 3.0/1536=56, 2.1/5537=52...(12) HB3 LEU 81 + H LEU 81 OK 92 92 100 100 2.5-3.1 3.8=92, 1.8/1536=72...(19) HG3 LYS 65 - H LEU 81 far 0 100 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 1539 from nnoeabs.peaks (0.79, 9.06, 126.69 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 81 + H LEU 81 OK 97 100 100 97 4.4-4.6 5538/3.0=48, 3.1/1536=39...(14) QD2 LEU 80 + H LEU 81 OK 77 84 100 92 1.9-4.6 2.1/7715=47, 3.9/504=38...(14) QD1 LEU 80 + H LEU 81 OK 73 81 100 90 1.9-4.1 7715=41, 3.9/504=38...(14) QD2 LEU 64 - H LEU 81 far 10 98 10 - 4.6-7.2 QD1 LEU 82 - H LEU 81 far 9 90 10 - 3.1-5.8 Violated in 3 structures by 0.01 A. Peak 1540 from nnoeabs.peaks (0.71, 9.06, 126.69 ppm; 4.24 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + H LEU 81 OK 100 100 100 100 4.1-4.5 4.8=71, 2.1/5537=68...(14) QD1 LEU 6 + H LEU 81 OK 78 94 100 83 3.1-4.7 9067/504=50...(6) QG1 VAL 117 + H LEU 81 OK 53 77 95 72 4.9-5.9 5522/1536=24...(8) QG2 ILE 18 - H LEU 81 far 0 87 0 - 6.8-7.8 QG2 ILE 56 - H LEU 81 far 0 87 0 - 7.2-8.5 QG2 VAL 78 - H LEU 81 far 0 61 0 - 8.1-8.6 QD1 ILE 57 - H LEU 81 far 0 100 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA LEU 82 + H LEU 82 OK 100 100 100 100 2.9-2.9 2.9=100 HA ARG 105 + H LEU 82 OK 73 99 90 82 4.6-6.0 3.0/10247=49...(9) HA ILE 57 - H LEU 82 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1543 from nnoeabs.peaks (1.62, 8.86, 124.89 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 82 + H LEU 82 OK 99 100 100 99 2.3-3.7 1.8/1544=71, 4.0=67...(16) HB ILE 116 - H LEU 82 far 0 94 0 - 5.5-6.1 HG LEU 90 - H LEU 82 far 0 65 0 - 6.6-8.9 HB3 LEU 64 - H LEU 82 far 0 96 0 - 8.9-10.3 Violated in 1 structures by 0.01 A. Peak 1544 from nnoeabs.peaks (1.74, 8.86, 124.89 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 82 + H LEU 82 OK 100 100 100 100 3.4-3.8 1.8/1543=74, 4.0=71...(16) HG3 ARG 105 - H LEU 82 poor 18 73 25 - 3.5-7.6 HB2 LEU 80 - H LEU 82 far 0 70 0 - 5.1-6.6 HB3 LYS 94 - H LEU 82 far 0 100 0 - 6.7-9.9 HB3 LEU 90 - H LEU 82 far 0 81 0 - 7.2-9.5 Violated in 16 structures by 0.09 A. Peak 1545 from nnoeabs.peaks (1.60, 8.86, 124.89 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.99: * HG LEU 82 + H LEU 82 OK 99 100 100 99 2.5-3.9 2.1/1546=57, 3.0/1544=52...(15) HG12 ILE 116 - H LEU 82 far 0 81 0 - 5.5-7.8 HG LEU 68 - H LEU 82 far 0 92 0 - 9.6-10.9 Violated in 2 structures by 0.04 A. Peak 1546 from nnoeabs.peaks (0.82, 8.86, 124.89 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 82 + H LEU 82 OK 100 100 100 100 1.7-4.1 2.1/1545=78, 5580/2.9=65...(10) QD1 LEU 64 - H LEU 82 far 4 90 5 - 5.2-8.4 QG2 ILE 5 - H LEU 82 far 0 73 0 - 7.2-8.1 QG2 ILE 57 - H LEU 82 far 0 77 0 - 8.5-10.6 Violated in 18 structures by 0.17 A. Peak 1547 from nnoeabs.peaks (0.78, 8.86, 124.89 ppm; 3.19 A): 5 out of 9 assignments used, quality = 1.00: * QD1 LEU 82 + H LEU 82 OK 98 100 100 98 1.7-4.1 2.1/1545=57, 2.1/1546=48...(13) QD1 LEU 81 + H LEU 82 OK 85 90 100 95 3.5-3.9 7720=59, 5538/511=41...(10) QG1 VAL 107 + H LEU 82 OK 44 77 90 63 3.4-4.8 4.0/9984=23...(8) QD2 LEU 80 + H LEU 82 OK 43 100 65 65 2.7-6.7 11093/1545=14...(12) QD1 LEU 80 + H LEU 82 OK 27 100 40 67 2.5-6.3 7715/4.6=25...(12) QD1 ILE 7 - H LEU 82 far 0 90 0 - 5.4-7.5 QD2 LEU 64 - H LEU 82 far 0 99 0 - 6.4-8.5 QD2 LEU 14 - H LEU 82 far 0 77 0 - 8.0-9.1 QD1 ILE 15 - H LEU 82 far 0 81 0 - 9.6-12.2 Violated in 1 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLN 83 + H GLN 83 OK 100 100 100 100 2.9-2.9 3.0=100 HA LEU 81 - H GLN 83 far 0 94 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 1550 from nnoeabs.peaks (2.21, 8.44, 122.15 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.98: * HB2 GLN 83 + H GLN 83 OK 98 100 100 98 2.7-3.0 4.0=74, 1.8/1551=48...(9) Violated in 0 structures by 0.00 A. Peak 1551 from nnoeabs.peaks (1.42, 8.44, 122.15 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.99: * HB3 GLN 83 + H GLN 83 OK 99 100 100 99 3.1-3.6 4.0=77, 1.8/1550=75...(8) QB ALA 113 + H GLN 83 OK 50 92 75 73 4.6-5.4 5596/3.0=22...(10) HG3 LYS 106 - H GLN 83 far 0 65 0 - 6.0-9.7 HB3 LYS 61 - H GLN 83 far 0 87 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 1552 from nnoeabs.peaks (2.34, 8.44, 122.15 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 83 + H GLN 83 OK 100 100 100 100 4.1-4.7 1.8/1553=80, 3.0/1550=79...(7) HG3 GLU 112 - H GLN 83 far 0 100 0 - 8.8-12.4 HG2 GLU 112 - H GLN 83 far 0 100 0 - 9.1-12.4 Violated in 11 structures by 0.02 A. Peak 1553 from nnoeabs.peaks (2.12, 8.44, 122.15 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + H GLN 83 OK 100 100 100 100 4.0-5.1 3.0/1550=78, 1.8/1552=77...(7) HB VAL 107 - H GLN 83 poor 20 100 20 - 5.8-7.4 Violated in 17 structures by 0.40 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.7 4.1=100 Violated in 0 structures by 0.00 A. Peak 1559 from nnoeabs.peaks (2.66, 8.21, 124.45 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 84 + H ASP 84 OK 100 100 100 100 2.8-3.9 4.1=100 HE3 LYS 61 - H ASP 84 far 0 92 0 - 8.2-15.6 HB3 ASP 110 - H ASP 84 far 0 70 0 - 8.3-11.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLN 85 + H GLN 85 OK 100 100 100 100 2.8-2.9 3.0=100 HB THR 9 - H GLN 85 far 0 84 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 1562 from nnoeabs.peaks (2.17, 8.62, 120.20 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 85 + H GLN 85 OK 100 100 100 100 2.2-3.6 5653=90, 1.8/1563=81...(11) Violated in 0 structures by 0.00 A. Peak 1563 from nnoeabs.peaks (2.04, 8.62, 120.20 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 85 + H GLN 85 OK 100 100 100 100 2.2-3.6 5661=97, 1.8/1562=62...(12) HB2 GLU 89 - H GLN 85 far 0 100 0 - 5.4-9.2 HB3 GLU 89 - H GLN 85 far 0 100 0 - 6.7-9.4 HB3 GLU 87 - H GLN 85 far 0 100 0 - 7.3-9.6 Violated in 8 structures by 0.09 A. Peak 1564 from nnoeabs.peaks (2.41, 8.62, 120.20 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 85 + H GLN 85 OK 98 100 100 98 2.1-4.5 3.0/1563=60, 3.0/1562=55...(13) HG3 GLN 85 + H GLN 85 OK 98 100 100 99 2.0-4.2 3.0/1563=60, 3.0/1562=55...(13) HB2 ASP 110 - H GLN 85 far 0 94 0 - 9.7-11.7 Violated in 4 structures by 0.04 A. Peak 1565 from nnoeabs.peaks (2.40, 8.62, 120.20 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 85 + H GLN 85 OK 99 100 100 99 2.0-4.2 3.0/1563=60, 3.0/1562=55...(13) HG2 GLN 85 + H GLN 85 OK 98 100 100 98 2.1-4.5 3.0/1563=60, 3.0/1562=55...(13) HB2 ASP 110 - H GLN 85 far 0 90 0 - 9.7-11.7 Violated in 4 structures by 0.04 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1570 from nnoeabs.peaks (2.93, 8.69, 120.51 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.93: * HB2 ASP 86 + H ASP 86 OK 93 100 100 93 2.5-3.8 1.8/1571=73, 5689=63...(5) Violated in 12 structures by 0.13 A. Peak 1571 from nnoeabs.peaks (2.57, 8.69, 120.51 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.91: * HB3 ASP 86 + H ASP 86 OK 91 100 100 91 2.3-3.0 1.8/1570=68, 5693=60...(5) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 87 + H GLU 87 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 92 - H GLU 87 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1574 from nnoeabs.peaks (2.09, 8.64, 123.60 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 87 + H GLU 87 OK 100 100 100 100 3.2-3.6 1.8/1575=79, 5703=72...(11) HB3 GLU 92 - H GLU 87 far 0 84 0 - 8.9-11.2 Violated in 16 structures by 0.08 A. Peak 1575 from nnoeabs.peaks (2.04, 8.64, 123.60 ppm; 3.20 A): 1 out of 5 assignments used, quality = 0.99: * HB3 GLU 87 + H GLU 87 OK 99 100 100 99 2.2-3.3 5709=86, 1.8/1574=62...(12) HB2 GLU 89 - H GLU 87 far 0 100 0 - 4.8-7.7 HB3 GLN 85 - H GLU 87 far 0 100 0 - 5.7-7.8 HB3 GLU 89 - H GLU 87 far 0 100 0 - 6.1-7.6 HB2 GLU 92 - H GLU 87 far 0 84 0 - 7.9-11.6 Violated in 6 structures by 0.03 A. Peak 1576 from nnoeabs.peaks (2.29, 8.64, 123.60 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + H GLU 87 OK 98 100 100 98 1.9-4.4 3.0/1575=58, 3.0/1574=53...(13) * HG2 GLU 87 + H GLU 87 OK 98 100 100 98 1.8-3.9 3.0/1575=58, 3.0/1574=53...(13) HG3 GLU 89 - H GLU 87 poor 9 73 35 35 4.4-6.5 5.2/2131=18...(4) HG3 GLU 91 - H GLU 87 far 0 96 0 - 5.6-8.7 Violated in 4 structures by 0.04 A. Peak 1577 from nnoeabs.peaks (2.29, 8.64, 123.60 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 87 + H GLU 87 OK 98 100 100 98 1.9-4.4 3.0/1575=58, 3.0/1574=53...(13) HG2 GLU 87 + H GLU 87 OK 98 100 100 98 1.8-3.9 3.0/1575=58, 3.0/1574=53...(13) HG3 GLU 89 - H GLU 87 poor 9 73 35 35 4.4-6.5 5.2/2131=18...(4) HG3 GLU 91 - H GLU 87 far 0 96 0 - 5.6-8.7 Violated in 4 structures by 0.04 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1580 from nnoeabs.peaks (2.85, 8.53, 118.84 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.97: * HB2 ASN 88 + H ASN 88 OK 97 100 100 97 2.2-3.5 1.8/1581=75, 5733=68...(8) Violated in 3 structures by 0.02 A. Peak 1581 from nnoeabs.peaks (2.90, 8.53, 118.84 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.93: * HB3 ASN 88 + H ASN 88 OK 93 100 100 93 2.2-3.0 1.8/1580=65, 5739=54...(7) HE3 LYS 94 - H ASN 88 far 0 87 0 - 7.9-12.3 Violated in 0 structures by 0.00 A. Peak 1582 from nnoeabs.peaks (7.89, 8.53, 118.84 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 88 + H ASN 88 OK 100 100 100 100 2.4-4.9 906=100, 909/1581=97 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1586 from nnoeabs.peaks (2.04, 8.22, 120.95 ppm; 3.09 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 89 + H GLU 89 OK 96 100 100 96 2.4-3.6 4.0=45, 3.0/5769=40...(18) HB3 GLU 89 + H GLU 89 OK 95 100 100 95 2.4-3.6 4.0=45, 3.0/5769=40...(16) HB2 GLU 92 - H GLU 89 far 0 84 0 - 4.6-7.9 HB3 GLU 87 - H GLU 89 far 0 100 0 - 4.7-6.3 HB3 GLN 85 - H GLU 89 far 0 100 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 1587 from nnoeabs.peaks (2.04, 8.22, 120.95 ppm; 3.09 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + H GLU 89 OK 96 100 100 96 2.4-3.6 4.0=45, 3.0/5769=40...(18) * HB3 GLU 89 + H GLU 89 OK 95 100 100 95 2.4-3.6 4.0=45, 3.0/5769=40...(16) HB2 GLU 92 - H GLU 89 far 0 84 0 - 4.6-7.9 HB3 GLU 87 - H GLU 89 far 0 100 0 - 4.7-6.3 HB3 GLN 85 - H GLU 89 far 0 100 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 1588 from nnoeabs.peaks (2.26, 8.22, 120.95 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 89 + H GLU 89 OK 100 100 100 100 1.9-3.5 1.8/5769=87, 5.2=48...(15) HG3 GLU 92 + H GLU 89 OK 65 100 70 92 4.6-8.1 5749/3.0=36, ~8180=29...(14) Violated in 0 structures by 0.00 A. Peak 1589 from nnoeabs.peaks (2.31, 8.22, 120.95 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 89 + H GLU 89 OK 100 100 100 100 2.0-3.4 5769=100, 1.8/1588=48...(17) HG3 GLU 87 + H GLU 89 OK 53 73 90 81 4.4-6.5 5.0/1931=43, 4.0/2130=32...(7) HG2 GLU 87 + H GLU 89 OK 39 73 65 82 4.7-6.3 5.0/1931=43, 4.0/2130=32...(7) HG2 GLU 92 + H GLU 89 OK 32 99 35 93 5.0-7.3 5750/3.0=34, 1.8/1588=31...(11) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LEU 90 + H LEU 90 OK 100 100 100 100 2.7-2.8 3.0=100 HB THR 108 - H LEU 90 far 0 84 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 1592 from nnoeabs.peaks (1.78, 8.05, 119.58 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 90 + H LEU 90 OK 100 100 100 100 2.2-3.6 5782=88, 568/566=56...(12) Violated in 0 structures by 0.00 A. Peak 1593 from nnoeabs.peaks (1.72, 8.05, 119.58 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + H LEU 90 OK 100 100 100 100 2.4-3.6 4.0=100 HB2 LYS 106 - H LEU 90 far 5 98 5 - 5.3-8.5 HB3 LYS 106 - H LEU 90 far 5 96 5 - 5.6-7.2 HB3 LEU 82 - H LEU 90 far 0 81 0 - 6.6-9.4 HB3 LYS 94 - H LEU 90 far 0 84 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 1594 from nnoeabs.peaks (1.64, 8.05, 119.58 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 90 + H LEU 90 OK 100 100 100 100 2.3-4.6 2.1/1595=72, 2.1/1596=72...(10) HB2 LEU 82 - H LEU 90 far 0 65 0 - 6.6-10.0 Violated in 10 structures by 0.13 A. Peak 1595 from nnoeabs.peaks (0.90, 8.05, 119.58 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + H LEU 90 OK 100 100 100 100 3.6-4.2 5803=95, 5804/3.0=76...(12) QG2 VAL 104 - H LEU 90 far 0 61 0 - 7.6-9.9 Violated in 5 structures by 0.01 A. Peak 1596 from nnoeabs.peaks (0.88, 8.05, 119.58 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 90 + H LEU 90 OK 100 100 100 100 2.7-4.3 5810=88, 5781/3.0=76...(13) QG2 VAL 104 - H LEU 90 far 0 100 0 - 7.6-9.9 QG2 VAL 107 - H LEU 90 far 0 81 0 - 9.0-10.4 Violated in 8 structures by 0.06 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1599 from nnoeabs.peaks (2.13, 7.94, 119.03 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 91 + H GLU 91 OK 100 100 100 100 2.1-2.8 5823=82, 1.8/5829=60...(13) HB3 GLU 92 - H GLU 91 far 0 65 0 - 4.8-6.5 Violated in 0 structures by 0.00 A. Peak 1600 from nnoeabs.peaks (2.07, 7.94, 119.03 ppm; 3.20 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + H GLU 91 OK 100 100 100 100 3.5-3.6 5829=83, 1.8/1599=73...(11) HB2 LYS 94 + H GLU 91 OK 63 100 80 79 4.1-6.5 8194/2.9=33, ~8196=19...(13) HB2 GLU 92 - H GLU 91 poor 18 73 25 - 4.5-6.4 HB3 GLU 98 - H GLU 91 far 0 73 0 - 9.0-10.8 Violated in 20 structures by 0.23 A. Peak 1601 from nnoeabs.peaks (2.42, 7.94, 119.03 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + H GLU 91 OK 100 100 100 100 1.9-3.9 5835=73, 1.8/1602=73...(13) Violated in 2 structures by 0.00 A. Peak 1602 from nnoeabs.peaks (2.29, 7.94, 119.03 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 91 + H GLU 91 OK 100 100 100 100 2.2-3.7 5828/1599=70...(14) HG3 GLU 87 - H GLU 91 lone 5 96 30 18 4.1-7.1 11569/571=10, 6609/2138=8 HG2 GLU 87 - H GLU 91 lone 3 96 25 13 5.0-7.4 11569/571=9, 6609/2138=5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 92 + H GLU 92 OK 100 100 100 100 2.7-2.7 3.0=100 HA GLU 87 - H GLU 92 far 0 100 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 1605 from nnoeabs.peaks (2.05, 8.09, 118.67 ppm; 3.07 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 92 + H GLU 92 OK 99 100 100 99 2.2-3.6 4.0=45, 5858/1608=43...(22) HB3 GLU 91 + H GLU 92 OK 70 73 100 95 2.9-3.6 1.8/7764=57, 7765=46...(11) HB2 LYS 94 - H GLU 92 poor 15 70 55 38 4.4-6.7 3.9/2146=17, 8194/574=16...(4) HB2 GLU 89 - H GLU 92 far 0 84 0 - 5.0-6.1 HB3 GLU 89 - H GLU 92 far 0 84 0 - 5.1-6.1 HB3 GLU 87 - H GLU 92 far 0 84 0 - 6.9-8.7 HB3 GLU 98 - H GLU 92 far 0 100 0 - 8.6-10.3 Violated in 4 structures by 0.02 A. Peak 1606 from nnoeabs.peaks (2.11, 8.09, 118.67 ppm; 3.01 A): 2 out of 3 assignments used, quality = 0.99: * HB3 GLU 92 + H GLU 92 OK 98 100 100 98 2.2-3.6 5859=43, 5864/1608=40...(18) HB2 GLU 91 + H GLU 92 OK 62 65 100 94 2.2-2.9 1.8/7765=56, 3.0/574=41...(14) HB2 GLU 87 - H GLU 92 far 0 84 0 - 6.3-8.4 Violated in 0 structures by 0.00 A. Peak 1607 from nnoeabs.peaks (2.32, 8.09, 118.67 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 92 + H GLU 92 OK 100 100 100 100 3.0-3.9 1.8/1608=79, 5868/4.0=59...(22) HG3 GLU 89 - H GLU 92 far 0 99 0 - 5.6-7.1 Violated in 3 structures by 0.00 A. Peak 1608 from nnoeabs.peaks (2.27, 8.09, 118.67 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 92 + H GLU 92 OK 100 100 100 100 2.0-4.0 1.8/1607=69, 5858/4.0=53...(25) HG2 GLU 89 - H GLU 92 far 0 100 0 - 5.9-7.3 Violated in 2 structures by 0.03 A. 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 2 assignments used, quality = 1.00: * HA PHE 93 + H PHE 93 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 98 - H PHE 93 far 0 99 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 1611 from nnoeabs.peaks (3.29, 8.10, 120.12 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.96: * HB2 PHE 93 + H PHE 93 OK 96 100 100 96 2.2-3.0 1.8/1612=63, 3.6=60...(6) Violated in 0 structures by 0.00 A. Peak 1612 from nnoeabs.peaks (3.04, 8.10, 120.12 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.99: * HB3 PHE 93 + H PHE 93 OK 99 100 100 99 2.2-3.0 1.8/1611=75, 3.6=71...(8) HE2 LYS 94 - H PHE 93 far 0 70 0 - 6.7-9.6 Violated in 0 structures by 0.00 A. Peak 1616 from nnoeabs.peaks (7.22, 8.10, 120.12 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 93 + H PHE 93 OK 100 100 100 100 3.8-4.2 2.4/1611=89, 2.4/1612=86...(6) Violated in 5 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1619 from nnoeabs.peaks (2.07, 8.61, 118.94 ppm; 3.24 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LYS 94 + H LYS 94 OK 99 100 100 99 2.1-3.6 1.8/1620=69, 3.9=58...(19) HB2 GLU 92 - H LYS 94 poor 18 70 55 48 4.4-5.6 4.6/1936=28, 4.0/2146=19...(4) HB3 GLU 91 - H LYS 94 far 0 100 0 - 4.8-5.4 HB3 GLU 98 - H LYS 94 far 0 70 0 - 5.4-7.0 Violated in 3 structures by 0.05 A. Peak 1620 from nnoeabs.peaks (1.74, 8.61, 118.94 ppm; 3.27 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LYS 94 + H LYS 94 OK 99 100 100 99 2.2-3.5 5945=63, 1.8/1619=60...(15) HB3 LEU 90 - H LYS 94 far 0 84 0 - 4.9-6.5 HB3 LEU 82 - H LYS 94 far 0 100 0 - 6.1-8.0 HB2 LYS 106 - H LYS 94 far 0 61 0 - 6.4-8.9 HB2 LEU 80 - H LYS 94 far 0 65 0 - 8.2-10.0 HG3 ARG 105 - H LYS 94 far 0 70 0 - 9.7-11.5 Violated in 11 structures by 0.10 A. Peak 1621 from nnoeabs.peaks (1.37, 8.61, 118.94 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + H LYS 94 OK 100 100 100 100 2.2-4.4 1.8/1622=78, 3.0/1620=77...(12) Violated in 5 structures by 0.04 A. Peak 1622 from nnoeabs.peaks (1.32, 8.61, 118.94 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + H LYS 94 OK 100 100 100 100 2.4-4.4 3.0/1620=75, 1.8/1621=74...(14) Violated in 8 structures by 0.06 A. Peak 1623 from nnoeabs.peaks (1.54, 8.61, 118.94 ppm; 4.75 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 94 + H LYS 94 OK 100 100 100 100 1.9-5.9 3.6/1620=81, 3.0/1622=77...(11) HD3 LYS 94 + H LYS 94 OK 100 100 100 100 3.6-5.9 3.6/1620=81, 3.0/1622=77...(11) HG2 LYS 65 - H LYS 94 far 0 87 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 1624 from nnoeabs.peaks (1.54, 8.61, 118.94 ppm; 4.75 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 94 + H LYS 94 OK 100 100 100 100 1.9-5.9 3.6/1620=81, 3.0/1622=77...(11) * HD3 LYS 94 + H LYS 94 OK 100 100 100 100 3.6-5.9 3.6/1620=81, 3.0/1622=77...(11) HG2 LYS 65 - H LYS 94 far 0 87 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ARG 95 + H ARG 95 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 89 - H ARG 95 far 0 100 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 1629 from nnoeabs.peaks (1.90, 8.16, 117.19 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ARG 95 + H ARG 95 OK 98 100 100 98 2.2-3.0 1.8/1630=56, 6023=55...(14) HB2 LYS 96 - H ARG 95 far 0 99 0 - 5.2-6.3 Violated in 0 structures by 0.00 A. Peak 1630 from nnoeabs.peaks (1.97, 8.16, 117.19 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.99: * HB3 ARG 95 + H ARG 95 OK 99 100 100 99 3.5-3.6 1.8/1629=69, 6031=58...(13) HB3 LYS 96 + H ARG 95 OK 20 100 30 67 4.5-6.5 6091/1938=42...(8) Violated in 20 structures by 0.36 A. Peak 1631 from nnoeabs.peaks (1.88, 8.16, 117.19 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.99: * HG2 ARG 95 + H ARG 95 OK 99 100 100 99 1.6-3.0 6019/3.0=49...(16) Violated in 0 structures by 0.00 A. Peak 1632 from nnoeabs.peaks (1.68, 8.16, 117.19 ppm; 3.60 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + H ARG 95 OK 100 100 100 100 2.2-4.2 1.8/1631=85...(14) HD2 LYS 96 + H ARG 95 OK 52 99 75 70 4.3-6.1 5.7/1938=24...(12) HD3 LYS 96 + H ARG 95 OK 20 97 30 70 4.4-6.0 5.7/1938=24...(13) Violated in 3 structures by 0.02 A. Peak 1633 from nnoeabs.peaks (3.22, 8.16, 117.19 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + H ARG 95 OK 100 100 100 100 2.6-4.7 2.9/1631=96, 3.9/1629=86...(17) HD3 ARG 95 + H ARG 95 OK 100 100 100 100 3.3-4.9 2.9/1631=96, 3.9/1629=86...(18) Violated in 0 structures by 0.00 A. Peak 1634 from nnoeabs.peaks (3.22, 8.16, 117.19 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + H ARG 95 OK 100 100 100 100 3.3-4.9 2.9/1631=96, 3.9/1629=86...(18) HD2 ARG 95 + H ARG 95 OK 100 100 100 100 2.6-4.7 2.9/1631=96, 3.9/1629=86...(17) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LYS 96 + H LYS 96 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLU 91 - H LYS 96 far 0 96 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 1637 from nnoeabs.peaks (1.90, 7.79, 119.58 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 96 + H LYS 96 OK 100 100 100 100 2.7-3.5 1.8/6091=77, 6081=61...(21) HB2 ARG 95 + H LYS 96 OK 96 99 100 97 2.6-4.2 1629/1938=51...(13) Violated in 0 structures by 0.00 A. Peak 1638 from nnoeabs.peaks (1.97, 7.79, 119.58 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 96 + H LYS 96 OK 100 100 100 100 2.1-3.6 6091=100, 7797/1939=63...(25) HB3 ARG 95 + H LYS 96 OK 99 100 100 99 3.2-4.3 6035/607=64, 7790=61...(15) Violated in 0 structures by 0.00 A. Peak 1639 from nnoeabs.peaks (1.44, 7.79, 119.58 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 96 + H LYS 96 OK 100 100 100 100 3.6-4.4 2.9/6091=91, 1.8/1640=91...(23) HG LEU 80 - H LYS 96 far 0 100 0 - 7.9-10.6 HB3 LYS 61 - H LYS 96 far 0 96 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 1640 from nnoeabs.peaks (1.57, 7.79, 119.58 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 96 + H LYS 96 OK 100 100 100 100 2.0-4.1 6111=92, 2.9/6091=80...(23) HD2 LYS 106 - H LYS 96 far 0 94 0 - 7.0-12.5 HD3 LYS 106 - H LYS 96 far 0 96 0 - 8.2-12.6 Violated in 0 structures by 0.00 A. Peak 1641 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.55 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 96 + H LYS 96 OK 100 100 100 100 2.2-3.6 3.4/6091=80, 3.0/1640=71...(35) HD3 LYS 96 + H LYS 96 OK 100 100 100 100 2.2-3.9 3.4/6091=80, 3.0/1640=71...(35) HG3 ARG 95 + H LYS 96 OK 99 99 100 100 2.3-4.8 1.8/607=97, 7792=82...(12) Violated in 0 structures by 0.00 A. Peak 1642 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.55 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 96 + H LYS 96 OK 100 100 100 100 2.2-3.9 3.4/6091=80, 3.0/1640=71...(35) HD2 LYS 96 + H LYS 96 OK 100 100 100 100 2.2-3.6 3.4/6091=80, 3.0/1640=71...(35) HG3 ARG 95 + H LYS 96 OK 97 97 100 100 2.3-4.8 1.8/607=97, 7792=80...(12) Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HA ILE 97 + H ILE 97 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 SER 35 + H LYS 39 OK 30 77 65 59 4.3-5.8 3.0/8033=37, 4.4/9348=20 HB2 SER 35 - H LYS 39 poor 18 51 35 - 4.9-6.1 HA MET 67 - H LYS 39 far 0 80 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. Peak 1647 from nnoeabs.peaks (1.81, 7.83, 118.55 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.99: * HB ILE 97 + H ILE 97 OK 99 100 100 99 2.4-2.8 6168=71, 2.9/1649=48...(11) HB2 LEU 64 - H ILE 97 far 0 61 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 1648 from nnoeabs.peaks (0.68, 7.83, 118.55 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 97 + H ILE 97 OK 100 100 100 100 3.7-3.8 4.0=100 QG2 ILE 56 - H LYS 39 far 0 75 0 - 7.2-9.8 QD2 LEU 4 - H LYS 39 far 0 90 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 1649 from nnoeabs.peaks (1.00, 7.83, 118.55 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 97 + H ILE 97 OK 100 100 100 100 2.0-4.0 6182=76, 1.8/6189=71...(9) HG13 ILE 71 - H LYS 39 far 0 51 0 - 9.8-13.4 Violated in 3 structures by 0.01 A. Peak 1650 from nnoeabs.peaks (0.93, 7.83, 118.55 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 97 + H ILE 97 OK 99 100 100 99 1.9-3.7 6189=68, 1.8/1649=63...(9) QG1 VAL 104 + H ILE 97 OK 59 99 70 85 3.6-5.3 10230/4.0=38...(8) QD1 LEU 70 - H LYS 39 lone 0 51 45 0 4.3-6.7 Violated in 3 structures by 0.00 A. Peak 1651 from nnoeabs.peaks (0.36, 7.83, 118.55 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + H ILE 97 OK 100 100 100 100 1.8-3.8 6196=100, 2.1/1649=82...(16) Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA GLU 98 + H GLU 98 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 99 - H GLU 98 far 0 97 0 - 5.1-5.5 HA PHE 93 - H GLU 98 far 0 99 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 1654 from nnoeabs.peaks (2.18, 8.67, 121.98 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 98 + H GLU 98 OK 100 100 100 100 2.9-3.5 6209=77, 1.8/6215=71...(12) Violated in 6 structures by 0.00 A. Peak 1655 from nnoeabs.peaks (2.05, 8.67, 121.98 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 98 + H GLU 98 OK 100 100 100 100 2.1-2.2 6215=100, 1.8/1654=79...(15) HB2 LYS 94 - H GLU 98 far 10 70 15 - 4.6-6.5 HB3 GLN 100 - H GLU 98 poor 10 99 25 39 4.4-6.9 11121/3.6=22, 631/628=9...(4) HB3 GLU 91 - H GLU 98 far 0 73 0 - 8.6-9.8 HB2 GLU 92 - H GLU 98 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1656 from nnoeabs.peaks (2.38, 8.67, 121.98 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + H GLU 98 OK 100 100 100 100 2.9-4.1 6223/1654=71...(10) Violated in 7 structures by 0.02 A. Peak 1657 from nnoeabs.peaks (2.44, 8.67, 121.98 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 98 + H GLU 98 OK 100 100 100 100 3.0-4.5 1.8/1656=72...(13) HG2 GLN 100 - H GLU 98 poor 19 99 45 43 4.4-7.8 10112/3.6=17, 633/628=13...(6) HG3 GLU 69 - H GLU 98 far 0 100 0 - 9.9-14.2 Violated in 9 structures by 0.20 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 100 100 2.7-2.9 2.9=100 HA GLU 98 + H SER 99 OK 96 97 100 99 3.5-3.6 3.6=79, 2.9/7812=53...(11) HA PHE 93 - H SER 99 far 0 100 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 1660 from nnoeabs.peaks (4.00, 8.10, 115.50 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 99 + H SER 99 OK 93 100 100 93 2.2-3.6 4.0=62, 6236/2.9=31...(8) * HB2 SER 99 + H SER 99 OK 93 100 100 93 2.2-3.0 4.0=62, 6236/2.9=31...(8) HA3 GLY 101 - H SER 99 far 0 84 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. Peak 1661 from nnoeabs.peaks (4.00, 8.10, 115.50 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 99 + H SER 99 OK 93 100 100 93 2.2-3.6 4.0=62, 6236/2.9=31...(8) HB2 SER 99 + H SER 99 OK 93 100 100 93 2.2-3.0 4.0=62, 6236/2.9=31...(8) HA3 GLY 101 - H SER 99 far 0 84 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLN 100 + H GLN 100 OK 100 100 100 100 2.8-2.9 3.0=100 HB THR 9 - H LYS 115 far 0 54 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 1664 from nnoeabs.peaks (2.21, 7.62, 119.30 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 100 + H GLN 100 OK 100 100 100 100 2.2-3.5 4.0=100 HB2 GLN 83 - H LYS 115 far 0 67 0 - 8.8-10.0 HB2 GLU 69 - H GLN 100 far 0 94 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1665 from nnoeabs.peaks (2.05, 7.62, 119.30 ppm; 3.90 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 100 + H GLN 100 OK 100 100 100 100 2.1-3.6 4.0=91, 3.0/6269=49...(12) HB3 GLU 98 + H GLN 100 OK 78 99 100 78 4.7-5.2 7812/1942=50, 2.9/635=24...(6) HB VAL 117 - H LYS 115 far 0 67 0 - 5.7-6.1 HB2 GLU 13 - H LYS 115 far 0 42 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 1666 from nnoeabs.peaks (2.44, 7.62, 119.30 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 100 + H GLN 100 OK 100 100 100 100 2.2-4.7 6269=100, 1.8/6277=80...(11) HG3 GLU 98 - H GLN 100 poor 20 99 20 - 5.9-6.8 HG3 GLU 119 - H LYS 115 far 2 37 5 - 6.1-8.9 HG3 GLU 69 - H GLN 100 far 0 99 0 - 7.4-12.2 Violated in 1 structures by 0.00 A. Peak 1667 from nnoeabs.peaks (2.35, 7.62, 119.30 ppm; 4.68 A): 3 out of 5 assignments used, quality = 1.00: * HG3 GLN 100 + H GLN 100 OK 100 100 100 100 2.7-4.6 6277=100, 1.8/6269=85...(8) HG2 GLU 112 + H LYS 115 OK 26 47 80 69 4.8-6.7 4.1/8244=60...(5) HG3 GLU 112 + H LYS 115 OK 26 50 75 69 4.4-6.9 4.1/8244=60...(5) HG2 GLN 83 - H LYS 115 far 0 44 0 - 8.2-10.2 HB3 PHE 120 - H LYS 115 far 0 60 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1672 from nnoeabs.peaks (4.01, 7.95, 105.77 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 101 + H GLY 101 OK 100 100 100 100 2.8-2.9 2.9=100 HB3 SER 99 - H GLY 101 far 0 84 0 - 5.8-6.4 HB2 SER 99 - H GLY 101 far 0 84 0 - 5.9-6.8 HA3 GLY 75 - H GLY 101 far 0 100 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1680 from nnoeabs.peaks (6.98, 6.89, 117.99 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.98: * QD TYR 102 + H TYR 102 OK 98 100 100 98 2.0-3.0 4.4=80, 4551/3.0=70...(4) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1683 from nnoeabs.peaks (2.09, 8.32, 122.86 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 103 + H GLU 103 OK 100 100 100 100 2.1-2.5 4.0=94, 1.8/1684=75...(6) HB3 PHE 79 - H GLU 103 poor 18 87 40 51 4.9-6.4 3.0/10687=51 HB2 LYS 94 - H GLU 103 far 0 70 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 1684 from nnoeabs.peaks (1.99, 8.32, 122.86 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLU 103 + H GLU 103 OK 99 100 100 99 2.9-3.6 4.0=93, 1.8/1683=63, 660/4.7=41 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.6 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-4.6 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1689 from nnoeabs.peaks (1.95, 8.65, 124.34 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.98: * HB VAL 104 + H VAL 104 OK 98 100 100 98 2.2-3.1 2.1/1690=70, 2.1/1691=68...(6) Violated in 0 structures by 0.00 A. Peak 1690 from nnoeabs.peaks (0.93, 8.65, 124.34 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.97: * QG1 VAL 104 + H VAL 104 OK 97 100 100 97 1.9-3.6 2.1/1691=62, 2.1/1689=59...(9) HG13 ILE 97 - H VAL 104 far 0 99 0 - 6.4-8.9 Violated in 13 structures by 0.13 A. Peak 1691 from nnoeabs.peaks (0.88, 8.65, 124.34 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.98: * QG2 VAL 104 + H VAL 104 OK 98 100 100 98 3.2-3.9 2.1/1690=68, 2.1/1689=63...(7) QD1 LEU 90 - H VAL 104 far 0 61 0 - 7.2-10.6 QD2 LEU 90 - H VAL 104 far 0 100 0 - 8.5-9.7 Violated in 15 structures by 0.21 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA ARG 105 + H ARG 105 OK 100 100 100 100 2.9-2.9 3.0=100 HA LEU 82 + H ARG 105 OK 38 99 45 85 5.4-7.5 2.9/10247=64...(10) Violated in 0 structures by 0.00 A. Peak 1694 from nnoeabs.peaks (1.86, 8.71, 124.86 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 105 + H ARG 105 OK 99 100 100 99 2.9-3.5 4.1=88, 1.8/1695=42...(10) HD2 LYS 123 - H ARG 105 far 0 81 0 - 9.2-11.3 HG2 ARG 95 - H ARG 105 far 0 61 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1695 from nnoeabs.peaks (1.82, 8.71, 124.86 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 105 + H ARG 105 OK 99 100 100 99 2.5-3.0 4.1=79, 1.8/1694=70...(9) HG2 ARG 105 + H ARG 105 OK 86 90 100 96 4.4-5.1 3.0/1694=55, 4.9=44...(9) HB ILE 97 - H ARG 105 far 10 96 10 - 5.1-7.2 QE MET 121 - H ARG 105 far 0 81 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 1696 from nnoeabs.peaks (1.80, 8.71, 124.86 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 105 + H ARG 105 OK 96 100 100 96 4.4-5.1 6415/1694=55, 4.9=43...(9) HB3 ARG 105 + H ARG 105 OK 88 90 100 98 2.5-3.0 4.1=77, 1.8/1694=69...(9) HB ILE 97 - H ARG 105 far 10 100 10 - 5.1-7.2 Violated in 0 structures by 0.00 A. Peak 1697 from nnoeabs.peaks (1.75, 8.71, 124.86 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 105 + H ARG 105 OK 98 100 100 98 3.9-4.8 3.0/1694=55, 4.9=44...(11) HB2 LEU 80 + H ARG 105 OK 94 100 100 94 3.1-4.6 11383/667=51...(10) HB3 LEU 82 - H ARG 105 far 11 73 15 - 5.1-7.0 HB3 LYS 94 - H ARG 105 far 3 70 5 - 5.2-8.3 Violated in 11 structures by 0.07 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1702 from nnoeabs.peaks (1.72, 8.81, 121.50 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + H LYS 106 OK 95 100 100 95 2.2-3.7 4.0=64, 2.9/1705=47...(11) HB3 LYS 106 + H LYS 106 OK 95 100 100 95 3.1-3.8 4.0=64, 2.9/1705=47...(11) HB3 LYS 94 - H LYS 106 far 3 61 5 - 4.9-8.5 HB3 LEU 90 - H LYS 106 far 0 98 0 - 5.2-9.0 Violated in 0 structures by 0.00 A. Peak 1703 from nnoeabs.peaks (1.71, 8.81, 121.50 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + H LYS 106 OK 95 100 100 95 3.1-3.8 4.0=64, 2.9/1705=47...(11) HB2 LYS 106 + H LYS 106 OK 95 100 100 95 2.2-3.7 4.0=64, 2.9/1705=47...(11) HB3 LEU 90 - H LYS 106 far 0 96 0 - 5.2-9.0 Violated in 0 structures by 0.00 A. Peak 1704 from nnoeabs.peaks (1.46, 8.81, 121.50 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 106 + H LYS 106 OK 100 100 100 100 1.9-4.3 1.8/1705=84, 6475=73...(14) HG LEU 80 - H LYS 106 far 0 61 0 - 7.2-10.2 Violated in 1 structures by 0.01 A. Peak 1705 from nnoeabs.peaks (1.40, 8.81, 121.50 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.98: * HG3 LYS 106 + H LYS 106 OK 98 100 100 98 1.8-4.1 1.8/1704=66, 6485=60...(14) QB ALA 113 - H LYS 106 far 0 96 0 - 6.8-8.0 HB3 GLN 83 - H LYS 106 far 0 65 0 - 7.6-8.7 Violated in 1 structures by 0.01 A. Peak 1706 from nnoeabs.peaks (1.56, 8.81, 121.50 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 106 + H LYS 106 OK 100 100 100 100 2.3-5.0 3.0/1705=85, 3.0/1704=80...(10) HD3 LYS 106 + H LYS 106 OK 100 100 100 100 1.9-5.4 3.0/1705=85, 3.0/1704=80...(10) HG2 LYS 115 - H LYS 106 far 0 100 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 1708 from nnoeabs.peaks (2.95, 8.81, 121.50 ppm; 5.81 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 106 + H LYS 106 OK 100 100 100 100 3.4-6.0 3.6/1705=92, 3.6/1704=88...(9) HE3 LYS 106 + H LYS 106 OK 100 100 100 100 3.1-6.1 3.6/1705=92, 3.6/1704=88...(9) Violated in 0 structures by 0.00 A. Peak 1709 from nnoeabs.peaks (2.95, 8.81, 121.50 ppm; 5.81 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 106 + H LYS 106 OK 100 100 100 100 3.1-6.1 3.6/1705=92, 3.6/1704=88...(9) HE2 LYS 106 + H LYS 106 OK 100 100 100 100 3.4-6.0 3.6/1705=92, 3.6/1704=88...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1712 from nnoeabs.peaks (2.12, 8.55, 118.79 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 107 + H VAL 107 OK 100 100 100 100 3.1-3.8 4.0=85, 2.1/1714=79...(9) HG3 GLN 83 + H VAL 107 OK 36 100 45 79 4.3-6.5 3.9/10302=45...(6) HB2 GLU 91 - H VAL 107 far 0 94 0 - 9.2-11.5 Violated in 1 structures by 0.00 A. Peak 1713 from nnoeabs.peaks (0.87, 8.55, 118.79 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.98: * QG2 VAL 107 + H VAL 107 OK 96 100 100 96 3.8-4.1 6545=61, 2.1/1714=57...(9) QD2 LEU 90 + H VAL 107 OK 57 81 100 71 2.1-3.3 11578=21, 10074/10302=17...(10) QG2 VAL 104 - H VAL 107 far 0 73 0 - 5.9-8.4 QD1 LEU 14 - H VAL 107 far 0 94 0 - 7.2-9.1 QG2 VAL 117 - H VAL 107 far 0 100 0 - 7.8-9.0 QG2 THR 9 - H VAL 107 far 0 99 0 - 8.0-10.3 Violated in 3 structures by 0.01 A. Peak 1714 from nnoeabs.peaks (0.76, 8.55, 118.79 ppm; 3.30 A): 1 out of 7 assignments used, quality = 0.98: * QG1 VAL 107 + H VAL 107 OK 98 100 100 98 2.5-3.2 6550=65, 2.1/6545=57...(16) QD1 LEU 82 - H VAL 107 far 4 77 5 - 3.9-6.3 QD1 LEU 80 - H VAL 107 far 0 87 0 - 6.3-10.3 QD2 LEU 80 - H VAL 107 far 0 84 0 - 6.6-10.4 QG2 ILE 7 - H VAL 107 far 0 61 0 - 7.5-9.0 QD2 LEU 14 - H VAL 107 far 0 100 0 - 7.7-8.6 QD1 ILE 7 - H VAL 107 far 0 99 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1717 from nnoeabs.peaks (4.22, 8.60, 114.07 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 108 + H THR 108 OK 100 100 100 100 2.5-3.8 4.0=96, 2.1/1718=75...(6) HA LEU 90 - H THR 108 far 0 84 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 1718 from nnoeabs.peaks (1.25, 8.60, 114.07 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.99: * QG2 THR 108 + H THR 108 OK 99 100 100 99 2.7-3.0 4.0=86, 2.1/1717=65...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1721 from nnoeabs.peaks (2.82, 8.04, 122.57 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.96: * HB2 ASP 109 + H ASP 109 OK 96 100 100 96 2.3-3.6 1.8/1722=73, 6571=70...(8) Violated in 9 structures by 0.11 A. Peak 1722 from nnoeabs.peaks (2.73, 8.04, 122.57 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.95: * HB3 ASP 109 + H ASP 109 OK 95 100 100 95 2.5-3.6 1.8/1721=68, 6575=64...(8) HB3 ASN 11 - H ASP 109 far 0 77 0 - 9.4-11.1 Violated in 4 structures by 0.07 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1725 from nnoeabs.peaks (2.42, 8.70, 122.85 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.98: * HB2 ASP 110 + H ASP 110 OK 98 100 100 98 3.1-3.6 1.8/1726=80, 4.0=73...(6) HG3 GLN 85 - H ASP 110 far 0 90 0 - 6.4-10.8 HG2 GLN 85 - H ASP 110 far 0 94 0 - 6.8-10.2 Violated in 5 structures by 0.00 A. Peak 1726 from nnoeabs.peaks (2.68, 8.70, 122.85 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.94: * HB3 ASP 110 + H ASP 110 OK 94 100 100 94 2.2-3.0 1.8/1725=63, 6587=60...(6) Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA GLU 111 + H GLU 111 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLU 112 - H GLU 111 far 0 94 0 - 5.1-5.4 HA LEU 14 - H GLU 111 far 0 100 0 - 7.0-8.0 HA LYS 17 - H GLU 111 far 0 99 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1729 from nnoeabs.peaks (2.10, 8.21, 119.14 ppm; 3.27 A): 1 out of 7 assignments used, quality = 0.99: * HB2 GLU 111 + H GLU 111 OK 99 100 100 99 2.2-2.9 6597=89, 1.8/6603=66...(10) HB2 GLU 112 - H GLU 111 poor 15 77 65 29 4.5-5.4 705/4.5=10, 10365/1953=9...(6) HB3 GLU 112 - H GLU 111 poor 6 73 30 27 4.5-6.2 6627/4.5=10...(6) HG3 GLN 83 - H GLU 111 far 0 65 0 - 5.9-8.8 HB VAL 107 - H GLU 111 far 0 70 0 - 7.5-8.8 HG3 GLU 21 - H GLU 111 far 0 99 0 - 8.6-10.9 HG2 GLU 21 - H GLU 111 far 0 97 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 1730 from nnoeabs.peaks (2.02, 8.21, 119.14 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 111 + H GLU 111 OK 100 100 100 100 2.3-3.6 6603=100, 1.8/6597=78...(7) Violated in 1 structures by 0.00 A. Peak 1731 from nnoeabs.peaks (2.29, 8.21, 119.14 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.99: * HG2 GLU 111 + H GLU 111 OK 98 100 100 98 2.0-4.4 3.0/6597=61, 3.0/6603=60...(8) HG3 GLU 111 + H GLU 111 OK 64 65 100 97 2.0-4.3 3.0/6597=61, 3.0/6603=60...(8) Violated in 1 structures by 0.01 A. Peak 1732 from nnoeabs.peaks (2.27, 8.21, 119.14 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 111 + H GLU 111 OK 99 100 100 99 2.0-4.3 3.0/6597=66, 3.0/6603=66...(8) HG2 GLU 111 + H GLU 111 OK 64 65 100 98 2.0-4.4 3.0/6597=66, 3.0/6603=66...(8) Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA GLU 112 + H GLU 112 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 111 + H GLU 112 OK 91 94 100 97 3.5-3.6 3.6=69, 3.0/706=45...(16) HA LEU 14 - H GLU 112 far 0 87 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 1735 from nnoeabs.peaks (2.08, 8.23, 121.40 ppm; 2.79 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 112 + H GLU 112 OK 89 100 100 89 2.1-2.9 4.0=33, 1.8/6633=21...(19) HB3 GLU 112 + H GLU 112 OK 89 100 100 89 2.3-3.6 4.0=33, 1.8/6627=21...(18) HB2 GLU 111 + H GLU 112 OK 67 77 100 88 2.2-3.9 1.8/706=47, 7870=33...(11) Violated in 0 structures by 0.00 A. Peak 1736 from nnoeabs.peaks (2.08, 8.23, 121.40 ppm; 2.79 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLU 112 + H GLU 112 OK 89 100 100 89 2.3-3.6 4.0=33, 1.8/6627=21...(19) HB2 GLU 112 + H GLU 112 OK 89 100 100 89 2.1-2.9 4.0=33, 1.8/6633=21...(19) HB2 GLU 111 + H GLU 112 OK 64 73 100 87 2.2-3.9 1.8/706=47, 7870=31...(11) HB2 GLU 13 - H GLU 112 far 0 61 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1737 from nnoeabs.peaks (2.34, 8.23, 121.40 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 112 + H GLU 112 OK 98 100 100 98 2.3-4.6 6639=50, 1.8/6645=38...(17) HG3 GLU 112 + H GLU 112 OK 98 100 100 98 2.1-4.5 6645=50, 1.8/6639=38...(17) HG2 GLN 83 - H GLU 112 far 0 100 0 - 6.7-8.2 Violated in 14 structures by 0.16 A. Peak 1738 from nnoeabs.peaks (2.34, 8.23, 121.40 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 112 + H GLU 112 OK 98 100 100 98 2.3-4.6 6639=50, 1.8/6645=38...(17) * HG3 GLU 112 + H GLU 112 OK 98 100 100 98 2.1-4.5 6645=50, 1.8/6639=38...(17) HG2 GLN 83 - H GLU 112 far 0 100 0 - 6.7-8.2 Violated in 14 structures by 0.16 A. 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): 3 out of 4 assignments used, quality = 1.00: * HA ALA 113 + H ALA 113 OK 100 100 100 100 2.7-2.9 3.0=100 HA LYS 115 + H VAL 117 OK 88 97 100 90 3.7-4.0 3.6/735=42, 8261/742=41...(14) HA ALA 113 + H VAL 117 OK 62 97 75 85 4.5-5.0 8252/737=32, 6651=27...(12) HA LYS 115 - H ALA 113 far 0 100 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 1741 from nnoeabs.peaks (1.41, 8.12, 120.32 ppm; 2.75 A): 1 out of 9 assignments used, quality = 0.97: * QB ALA 113 + H ALA 113 OK 97 100 100 97 2.0-2.2 2.9=83, 7880/715=29...(22) HB3 GLN 83 - H ALA 113 far 0 92 0 - 4.5-5.6 QB ALA 113 - H VAL 117 far 0 97 0 - 5.0-5.4 HB3 LEU 114 - H ALA 113 far 0 84 0 - 5.0-6.5 HB3 LEU 114 - H VAL 117 far 0 78 0 - 5.4-6.0 HB3 GLN 83 - H VAL 117 far 0 87 0 - 7.7-9.0 HG3 LYS 17 - H VAL 117 far 0 57 0 - 8.4-12.2 HG3 LYS 17 - H ALA 113 far 0 61 0 - 8.9-10.6 HG3 LYS 106 - H ALA 113 far 0 96 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1744 from nnoeabs.peaks (1.74, 7.74, 116.90 ppm; 3.23 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LEU 114 + H LEU 114 OK 99 100 100 99 2.1-3.6 6664=68, 1.8/6671=53...(15) HG2 LYS 17 - H LEU 114 far 0 57 0 - 6.1-8.9 HG2 ARG 118 - H LEU 114 far 0 98 0 - 6.3-8.4 HG3 ARG 105 - H LEU 114 far 0 70 0 - 8.7-11.7 HG12 ILE 15 - H LEU 114 far 0 94 0 - 10.0-11.0 Violated in 3 structures by 0.05 A. Peak 1745 from nnoeabs.peaks (1.40, 7.74, 116.90 ppm; 2.92 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LEU 114 + H LEU 114 OK 96 100 100 96 2.4-3.6 1.8/1744=58, 6671=44...(10) QB ALA 113 + H LEU 114 OK 76 84 100 91 2.3-2.9 3.7=49, 2.9/715=40...(15) HG LEU 14 - H LEU 114 far 0 61 0 - 4.5-6.5 Violated in 0 structures by 0.00 A. Peak 1746 from nnoeabs.peaks (1.65, 7.74, 116.90 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.99: * HG LEU 114 + H LEU 114 OK 99 100 100 99 1.6-4.6 6678=61, 3.0/1744=50...(15) HD2 LYS 115 + H LEU 114 OK 21 99 35 60 3.9-7.9 6749/718=17, 4.9/716=10...(14) HD3 LYS 115 - H LEU 114 poor 14 96 25 58 4.0-7.5 6749/718=17, 4.9/716=10...(13) Violated in 5 structures by 0.08 A. Peak 1747 from nnoeabs.peaks (0.81, 7.74, 116.90 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 114 + H LEU 114 OK 100 100 100 100 3.3-4.0 2.1/6678=69, 3.1/1744=64...(15) QD1 LEU 81 + H LEU 114 OK 44 73 95 64 4.4-5.4 11606/3.6=34, 723/718=15...(6) QD2 LEU 82 - H LEU 114 far 0 57 0 - 9.0-10.7 Violated in 1 structures by 0.00 A. Peak 1748 from nnoeabs.peaks (0.67, 7.74, 116.90 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 114 + H LEU 114 OK 100 100 100 100 2.1-4.3 6692=71, 6693/3.0=66...(13) QD1 ILE 116 + H LEU 114 OK 33 92 45 80 4.5-6.6 10416/3.6=29...(13) QD1 LEU 55 - H LEU 114 far 0 81 0 - 9.4-10.8 Violated in 7 structures by 0.08 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA LYS 115 + H LYS 115 OK 100 100 100 100 2.9-2.9 3.0=100 HA ALA 113 + H LYS 115 OK 85 100 100 85 3.8-4.3 3.6/718=45, 2.1/10408=27...(12) HA LYS 65 - H GLN 100 far 0 63 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 1751 from nnoeabs.peaks (1.93, 7.62, 119.07 ppm; 2.91 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 115 + H LYS 115 OK 97 100 100 97 2.1-3.6 6709=43, 3.0/1753=39...(21) HB3 LYS 115 + H LYS 115 OK 95 98 100 97 2.2-3.6 6709=41, 3.0/1753=39...(20) HB VAL 104 - H GLN 100 far 0 37 0 - 5.8-7.6 HB3 LYS 17 - H LYS 115 far 0 98 0 - 7.1-9.6 HB2 LEU 81 - H LYS 115 far 0 94 0 - 7.2-9.0 HB3 LYS 65 - H GLN 100 far 0 64 0 - 8.5-11.2 HB2 LYS 65 - H GLN 100 far 0 63 0 - 8.6-11.9 Violated in 0 structures by 0.00 A. Peak 1752 from nnoeabs.peaks (1.93, 7.62, 119.07 ppm; 2.91 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 115 + H LYS 115 OK 97 100 100 97 2.2-3.6 6719=41, 3.0/1753=39...(20) HB2 LYS 115 + H LYS 115 OK 95 98 100 97 2.1-3.6 6709=42, 3.0/1753=39...(20) HB VAL 104 - H GLN 100 far 0 52 0 - 5.8-7.6 HB3 LYS 17 - H LYS 115 far 0 87 0 - 7.1-9.6 HB2 LEU 81 - H LYS 115 far 0 77 0 - 7.2-9.0 HB3 LYS 65 - H GLN 100 far 0 67 0 - 8.5-11.2 HB2 LYS 65 - H GLN 100 far 0 67 0 - 8.6-11.9 Violated in 0 structures by 0.00 A. Peak 1753 from nnoeabs.peaks (1.56, 7.62, 119.07 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.99: * HG2 LYS 115 + H LYS 115 OK 99 100 100 99 1.8-3.7 6729=53, 6703/3.0=51...(23) HG3 LYS 96 - H GLN 100 far 0 58 0 - 6.3-8.0 HG2 LYS 65 - H GLN 100 far 0 52 0 - 9.7-11.6 HD2 LYS 106 - H GLN 100 far 0 67 0 - 9.9-15.6 HB VAL 78 - H GLN 100 far 0 65 0 - 9.9-12.0 Violated in 8 structures by 0.09 A. Peak 1754 from nnoeabs.peaks (1.30, 7.62, 119.07 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 115 + H LYS 115 OK 100 100 100 100 2.4-4.4 6739=98, 1.8/1753=96...(24) HB3 LEU 80 - H GLN 100 far 0 52 0 - 8.1-9.6 Violated in 6 structures by 0.01 A. Peak 1755 from nnoeabs.peaks (1.66, 7.62, 119.07 ppm; 3.61 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 115 + H LYS 115 OK 94 100 95 100 2.4-5.1 2.9/1753=60, 2.9/1754=44...(27) HG LEU 114 + H LYS 115 OK 87 99 90 98 2.6-5.3 3.0/7883=50, 6678/718=48...(11) * HD2 LYS 115 + H LYS 115 OK 85 100 85 100 2.5-5.3 2.9/1753=60, 2.9/1754=44...(29) HG3 ARG 95 - H GLN 100 far 0 34 0 - 7.0-9.3 HD2 LYS 65 - H GLN 100 far 0 67 0 - 7.4-12.5 HD3 LYS 65 - H GLN 100 far 0 64 0 - 7.7-12.4 Violated in 7 structures by 0.05 A. Peak 1756 from nnoeabs.peaks (1.66, 7.62, 119.07 ppm; 3.61 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 115 + H LYS 115 OK 95 100 95 100 2.4-5.1 2.9/1753=60, 2.9/1754=44...(27) HD2 LYS 115 + H LYS 115 OK 84 100 85 100 2.5-5.3 2.9/1753=60, 2.9/1754=44...(29) HG LEU 114 + H LYS 115 OK 84 96 90 98 2.6-5.3 3.0/7883=50, 2.1/7886=46...(11) HG3 ARG 95 - H GLN 100 far 0 42 0 - 7.0-9.3 HD2 LYS 65 - H GLN 100 far 0 64 0 - 7.4-12.5 HD3 LYS 65 - H GLN 100 far 0 60 0 - 7.7-12.4 Violated in 7 structures by 0.05 A. Peak 1757 from nnoeabs.peaks (2.91, 7.62, 119.07 ppm; 5.72 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 115 + H LYS 115 OK 100 100 100 100 4.2-6.6 3.7/1753=94, 3.7/1754=83...(18) HE3 LYS 115 + H LYS 115 OK 100 100 100 100 4.2-6.8 3.7/1753=94, 3.7/1754=83...(17) HE2 LYS 65 - H GLN 100 poor 12 62 20 - 6.4-12.9 HE3 LYS 65 - H GLN 100 lone 0 62 40 1 5.6-13.3 HE3 LYS 17 - H LYS 115 far 0 94 0 - 7.3-10.4 HE3 LYS 94 - H GLN 100 far 0 60 0 - 8.4-12.5 Violated in 1 structures by 0.00 A. Peak 1758 from nnoeabs.peaks (2.91, 7.62, 119.07 ppm; 5.72 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 115 + H LYS 115 OK 100 100 100 100 4.2-6.6 3.7/1753=94, 3.7/1754=83...(18) * HE3 LYS 115 + H LYS 115 OK 100 100 100 100 4.2-6.8 3.7/1753=94, 3.7/1754=83...(17) HE2 LYS 65 - H GLN 100 poor 12 62 20 - 6.4-12.9 HE3 LYS 65 - H GLN 100 lone 0 62 40 1 5.6-13.3 HE3 LYS 17 - H LYS 115 far 0 94 0 - 7.3-10.4 HE3 LYS 94 - H GLN 100 far 0 60 0 - 8.4-12.5 Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1761 from nnoeabs.peaks (1.63, 8.00, 120.61 ppm; 3.12 A): 1 out of 1 assignment used, quality = 0.99: * HB ILE 116 + H ILE 116 OK 99 100 100 99 2.4-3.1 6796=54, 6812/1763=53...(14) Violated in 0 structures by 0.00 A. 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 99 100 100 99 3.6-3.8 4.0=99 Violated in 0 structures by 0.00 A. Peak 1763 from nnoeabs.peaks (1.58, 8.00, 120.61 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.99: * HG12 ILE 116 + H ILE 116 OK 99 100 100 99 1.8-3.5 6812/1761=62...(12) HG2 LYS 123 - H ILE 116 far 0 94 0 - 10.0-14.2 Violated in 3 structures by 0.02 A. Peak 1764 from nnoeabs.peaks (0.97, 8.00, 120.61 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 116 + H ILE 116 OK 100 100 100 100 1.7-3.8 1.8/1763=84, 6817=74...(12) Violated in 2 structures by 0.01 A. Peak 1765 from nnoeabs.peaks (0.68, 8.00, 120.61 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 116 + H ILE 116 OK 100 100 100 100 2.1-3.5 2.1/1763=78, 2.1/1764=68...(23) QD2 LEU 114 - H ILE 116 far 0 92 0 - 5.2-6.5 QD1 LEU 55 - H ILE 116 far 0 99 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA VAL 117 + H VAL 117 OK 100 100 100 100 2.8-2.9 3.0=100 HA VAL 117 - H ALA 113 far 0 97 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 1768 from nnoeabs.peaks (2.05, 8.12, 120.23 ppm; 2.89 A): 1 out of 3 assignments used, quality = 0.93: * HB VAL 117 + H VAL 117 OK 93 100 100 93 2.9-3.0 6836=56, 2.1/6841=54...(6) HB2 GLU 13 - H ALA 113 far 0 64 0 - 8.5-10.5 HB VAL 117 - H ALA 113 far 0 97 0 - 8.6-8.9 Violated in 20 structures by 0.08 A. Peak 1769 from nnoeabs.peaks (0.86, 8.12, 120.23 ppm; 2.83 A): 3 out of 13 assignments used, quality = 1.00: * QG2 VAL 117 + H VAL 117 OK 98 100 100 98 1.8-1.9 6841=74, 2.1/1768=57...(13) QG2 VAL 107 + H ALA 113 OK 89 96 100 93 1.8-3.0 10898/2.9=41...(26) QD1 LEU 14 + H ALA 113 OK 62 94 95 69 3.6-4.4 11517/2.9=22...(13) QG2 VAL 117 - H ALA 113 far 0 97 0 - 5.5-5.8 QD1 LEU 14 - H VAL 117 far 0 98 0 - 5.6-6.6 QG2 VAL 107 - H VAL 117 far 0 100 0 - 5.9-7.0 QG2 VAL 22 - H VAL 117 far 0 90 0 - 7.3-9.6 QG2 THR 9 - H ALA 113 far 0 97 0 - 7.5-8.9 QG2 THR 9 - H VAL 117 far 0 100 0 - 7.5-9.4 QD2 LEU 90 - H ALA 113 far 0 64 0 - 7.6-8.8 HG13 ILE 5 - H VAL 117 far 0 61 0 - 7.9-10.3 QG2 VAL 104 - H VAL 117 far 0 61 0 - 8.7-11.5 QG2 VAL 104 - H ALA 113 far 0 57 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 1770 from nnoeabs.peaks (0.72, 8.12, 120.23 ppm; 3.24 A): 2 out of 11 assignments used, quality = 1.00: * QG1 VAL 117 + H VAL 117 OK 99 100 100 99 3.6-3.7 2.1/1768=72, 2.1/6841=67...(10) QD2 LEU 81 + H VAL 117 OK 63 77 100 81 3.3-3.8 11636/737=30...(11) QG2 ILE 18 - H VAL 117 far 15 100 15 - 4.2-6.6 HG13 ILE 18 - H VAL 117 far 0 96 0 - 4.8-6.2 QD2 LEU 81 - H ALA 113 far 0 72 0 - 5.1-5.8 HG13 ILE 18 - H ALA 113 far 0 91 0 - 6.8-8.5 QD2 LEU 55 - H VAL 117 far 0 77 0 - 7.0-8.7 QG2 ILE 18 - H ALA 113 far 0 96 0 - 7.6-9.2 QG1 VAL 117 - H ALA 113 far 0 97 0 - 7.9-8.3 QD1 ILE 57 - H VAL 117 far 0 81 0 - 9.3-11.1 QD1 LEU 6 - H VAL 117 far 0 98 0 - 9.5-10.5 Violated in 12 structures by 0.02 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA ARG 118 + H ARG 118 OK 100 100 100 100 2.7-2.7 2.9=100 HA LEU 64 + H LYS 65 OK 47 48 100 100 3.5-3.6 3.6=100 HA LEU 38 - H LYS 65 far 0 37 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 1773 from nnoeabs.peaks (1.80, 8.03, 118.42 ppm; 3.35 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 118 + H ARG 118 OK 99 100 100 99 3.5-3.6 1.8/1774=70, 4.1=56...(10) HB2 LEU 64 + H LYS 65 OK 51 57 100 91 2.4-4.2 4.2=49, 3.6/1907=30...(12) HG12 ILE 5 - H ARG 118 far 0 96 0 - 7.1-10.1 HB ILE 97 - H LYS 65 far 0 59 0 - 8.0-10.1 HG2 ARG 105 - H ARG 118 far 0 98 0 - 8.2-9.0 HB3 ARG 105 - H ARG 118 far 0 70 0 - 8.6-9.9 Violated in 3 structures by 0.00 A. Peak 1774 from nnoeabs.peaks (1.87, 8.03, 118.42 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.99: * HB3 ARG 118 + H ARG 118 OK 99 100 100 99 2.2-2.8 4.1=58, 1.8/1773=48...(10) HB2 LEU 63 - H LYS 65 far 3 68 5 - 4.8-5.3 QE MET 67 - H LYS 65 far 0 59 0 - 4.9-5.7 QE MET 42 - H LYS 65 far 0 65 0 - 7.4-9.5 HB2 ARG 105 - H ARG 118 far 0 81 0 - 8.5-10.4 HB2 LYS 20 - H ARG 118 far 0 61 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 1775 from nnoeabs.peaks (1.73, 8.03, 118.42 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.99: * HG2 ARG 118 + H ARG 118 OK 99 100 100 99 1.9-3.0 1.8/1776=59, 3.0/1774=52...(13) HB2 LEU 68 + H LYS 65 OK 21 37 75 77 4.5-6.3 8125/3.0=30, ~8127=27...(13) HB2 LEU 114 - H ARG 118 far 0 98 0 - 5.6-7.0 HB3 LEU 82 - H LYS 65 far 0 62 0 - 8.3-11.5 HD3 LYS 123 - H ARG 118 far 0 61 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 1776 from nnoeabs.peaks (1.48, 8.03, 118.42 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 118 + H ARG 118 OK 100 100 100 100 2.4-4.0 1.8/1775=70, 3.0/1774=65...(10) HG3 LYS 20 - H ARG 118 far 0 97 0 - 9.4-14.0 HB3 LEU 14 - H ARG 118 far 0 77 0 - 9.8-12.8 Violated in 11 structures by 0.08 A. 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 100 100 100 100 3.3-5.2 6.1=100 Violated in 0 structures by 0.00 A. Peak 1778 from nnoeabs.peaks (2.97, 8.03, 118.42 ppm; 5.60 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 118 + H ARG 118 OK 100 100 100 100 3.1-5.1 6899=100, 3.0/1776=95...(10) HB2 ASN 24 - H ARG 118 far 0 99 0 - 8.5-14.4 HB3 ASN 24 - H ARG 118 far 0 99 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA GLU 119 + H GLU 119 OK 100 100 100 100 2.7-2.9 3.0=100 HA PHE 120 - H GLU 119 far 0 99 0 - 5.1-5.5 HA LYS 123 - H GLU 119 far 0 100 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 1781 from nnoeabs.peaks (2.12, 7.92, 122.42 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 119 + H GLU 119 OK 96 100 100 96 2.2-2.7 3.0/1783=39, 4.0=38...(18) HB3 GLU 119 + H GLU 119 OK 95 100 100 96 3.5-3.6 3.0/1783=39, 4.0=38...(18) HG3 GLU 21 - H GLU 119 far 0 84 0 - 7.3-9.9 HB2 GLU 21 - H GLU 119 far 0 100 0 - 7.4-10.3 HG2 GLU 21 - H GLU 119 far 0 90 0 - 8.2-11.3 HB VAL 107 - H GLU 119 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 1782 from nnoeabs.peaks (2.11, 7.92, 122.42 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 119 + H GLU 119 OK 96 100 100 96 3.5-3.6 3.0/1783=39, 4.0=38...(18) HB2 GLU 119 + H GLU 119 OK 95 100 100 96 2.2-2.7 3.0/1783=39, 4.0=38...(18) HG3 GLU 21 - H GLU 119 far 0 92 0 - 7.3-9.9 HB2 GLU 21 - H GLU 119 far 0 100 0 - 7.4-10.3 HG2 GLU 21 - H GLU 119 far 0 96 0 - 8.2-11.3 HB VAL 107 - H GLU 119 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 1783 from nnoeabs.peaks (2.08, 7.92, 122.42 ppm; 3.23 A): 1 out of 4 assignments used, quality = 0.98: * HG2 GLU 119 + H GLU 119 OK 98 100 100 98 1.9-3.2 1.8/1784=54, 6911/3.0=46...(16) HB3 MET 121 - H GLU 119 far 0 100 0 - 4.8-6.9 HB3 PHE 79 - H GLU 119 far 0 100 0 - 7.6-8.2 HB3 GLU 112 - H GLU 119 far 0 97 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 1784 from nnoeabs.peaks (2.46, 7.92, 122.42 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 119 + H GLU 119 OK 100 100 100 100 2.0-3.8 1.8/1783=88, 6931=85...(15) Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA PHE 120 + H PHE 120 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 119 + H PHE 120 OK 99 99 100 100 3.5-3.6 3.6=100 HA LYS 123 - H PHE 120 far 0 100 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 1787 from nnoeabs.peaks (3.22, 8.83, 119.60 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 120 + H PHE 120 OK 99 100 100 99 2.5-3.6 4.0=85, 2.4/1792=57...(9) Violated in 0 structures by 0.00 A. Peak 1788 from nnoeabs.peaks (2.34, 8.83, 119.60 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 120 + H PHE 120 OK 100 100 100 100 2.6-3.6 4.0=100 HG3 GLU 112 - H PHE 120 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1792 from nnoeabs.peaks (6.79, 8.83, 119.60 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 120 + H PHE 120 OK 100 100 100 100 2.6-3.2 4700=96, 4558/3.0=78...(15) QD TYR 27 - H PHE 120 far 0 100 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1795 from nnoeabs.peaks (2.29, 8.32, 116.60 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + H MET 121 OK 100 100 100 100 2.9-3.6 4.0=77, 1.8/1796=67...(8) Violated in 0 structures by 0.00 A. Peak 1796 from nnoeabs.peaks (2.08, 8.32, 116.60 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 MET 121 + H MET 121 OK 100 100 100 100 2.1-3.5 4.0=94, 1.8/1795=81...(12) HB3 PHE 79 - H MET 121 far 0 100 0 - 5.7-6.7 HG2 GLU 119 - H MET 121 far 0 100 0 - 5.7-6.8 HB2 GLU 103 - H MET 121 far 0 92 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 1797 from nnoeabs.peaks (1.92, 8.32, 116.60 ppm; 3.93 A): 1 out of 7 assignments used, quality = 1.00: * HG2 MET 121 + H MET 121 OK 100 100 100 100 2.4-4.3 1.8/1798=80, 3.0/1795=64...(14) HB2 LYS 123 - H MET 121 poor 17 70 35 70 5.0-7.2 3.7/2235=42, 8297/3.6=33...(4) HB3 LYS 123 - H MET 121 far 0 100 0 - 5.5-6.1 HB2 LEU 81 - H MET 121 far 0 100 0 - 7.0-9.2 HB3 LYS 115 - H MET 121 far 0 70 0 - 9.2-10.6 HB2 LYS 115 - H MET 121 far 0 90 0 - 9.4-10.7 HB2 GLU 128 - H MET 121 far 0 73 0 - 9.9-13.1 Violated in 7 structures by 0.09 A. Peak 1798 from nnoeabs.peaks (2.63, 8.32, 116.60 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 121 + H MET 121 OK 100 100 100 100 1.9-4.1 1.8/1797=59, 7013=59...(10) HE2 LYS 53 - H MET 121 far 0 100 0 - 8.2-14.4 Violated in 3 structures by 0.03 A. Peak 1799 from nnoeabs.peaks (1.83, 8.32, 116.60 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * QE MET 121 + H MET 121 OK 100 100 100 100 2.1-4.6 7020=85, 7021/2.9=77...(16) HD2 LYS 123 - H MET 121 far 0 84 0 - 6.6-7.6 HB3 ARG 105 - H MET 121 far 0 81 0 - 9.1-10.6 Violated in 9 structures by 0.07 A. 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 3 assignments used, quality = 1.00: * HA GLN 122 + H GLN 122 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 124 - H GLN 122 far 0 94 0 - 6.8-7.2 HA VAL 22 - H GLN 122 far 0 100 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 1802 from nnoeabs.peaks (2.24, 8.05, 120.56 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.99: * HB2 GLN 122 + H GLN 122 OK 91 100 100 91 2.7-2.9 4.0=42, 3.0/7051=34...(10) HB3 GLN 122 + H GLN 122 OK 90 100 100 90 3.5-3.6 4.0=42, 3.0/7051=34...(10) Violated in 0 structures by 0.00 A. Peak 1803 from nnoeabs.peaks (2.24, 8.05, 120.56 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 122 + H GLN 122 OK 91 100 100 91 2.7-2.9 4.0=42, 3.0/7051=34...(10) * HB3 GLN 122 + H GLN 122 OK 90 100 100 90 3.5-3.6 4.0=42, 3.0/7051=34...(10) Violated in 0 structures by 0.00 A. Peak 1804 from nnoeabs.peaks (2.41, 8.05, 120.56 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 122 + H GLN 122 OK 100 100 100 100 1.8-3.1 7051=100, 1.8/7059=75...(10) Violated in 0 structures by 0.00 A. Peak 1805 from nnoeabs.peaks (2.52, 8.05, 120.56 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + H GLN 122 OK 100 100 100 100 1.9-3.5 7059=100, 1.8/7051=77...(10) HG3 GLN 25 - H GLN 122 far 5 100 5 - 5.3-9.1 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HA LYS 123 + H LYS 123 OK 100 100 100 100 2.7-2.7 3.0=100 HA PHE 120 + H LYS 123 OK 99 100 100 99 3.4-3.9 8297/1810=58, 8296=57...(11) HA GLU 119 + H LYS 123 OK 90 100 100 90 3.9-4.5 8289/1965=47...(11) HB3 SER 126 - H LYS 123 far 15 99 15 - 5.7-8.3 HB2 SER 126 - H LYS 123 lone 4 100 35 11 5.2-7.7 785/784=7, 7108/1813=2 Violated in 0 structures by 0.00 A. Peak 1810 from nnoeabs.peaks (1.93, 8.40, 121.61 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 123 + H LYS 123 OK 100 100 100 100 2.1-3.6 3.7=82, 2.9/1813=50...(16) HG2 MET 121 - H LYS 123 far 0 70 0 - 6.6-7.5 HB2 LEU 127 - H LYS 123 far 0 100 0 - 8.3-9.9 Violated in 6 structures by 0.02 A. Peak 1811 from nnoeabs.peaks (1.91, 8.40, 121.61 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 123 + H LYS 123 OK 100 100 100 100 2.8-3.1 3.7=84, 2.9/1813=51...(16) HG2 MET 121 - H LYS 123 far 0 100 0 - 6.6-7.5 HB2 LEU 127 - H LYS 123 far 0 61 0 - 8.3-9.9 HB2 GLU 128 - H LYS 123 far 0 84 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 1812 from nnoeabs.peaks (1.57, 8.40, 121.61 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 123 + H LYS 123 OK 100 100 100 100 2.4-4.6 7097=90, 1.8/1813=90...(21) HG12 ILE 3 - H LYS 123 far 0 81 0 - 9.6-10.5 Violated in 14 structures by 0.20 A. Peak 1813 from nnoeabs.peaks (1.70, 8.40, 121.61 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + H LYS 123 OK 100 100 100 100 2.1-4.0 2.9/1810=63, 2.9/1811=62...(23) Violated in 14 structures by 0.12 A. Peak 1814 from nnoeabs.peaks (1.84, 8.40, 121.61 ppm; 4.45 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 123 + H LYS 123 OK 100 100 100 100 4.4-4.5 7083/1810=88...(11) QE MET 121 - H LYS 123 far 8 84 10 - 5.8-7.6 HG LEU 127 - H LYS 123 far 0 77 0 - 6.4-8.2 HB3 LYS 77 - H LYS 123 far 0 100 0 - 9.1-10.6 Violated in 15 structures by 0.05 A. Peak 1815 from nnoeabs.peaks (1.75, 8.40, 121.61 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 123 + H LYS 123 OK 100 100 100 100 4.3-4.4 7132/1813=78...(10) HG2 ARG 118 - H LYS 123 far 0 61 0 - 7.6-10.0 Violated in 20 structures by 0.06 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA ALA 124 + H ALA 124 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLN 122 + H ALA 124 OK 77 94 100 82 4.4-4.8 3.6/784=42, 8307=37...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.2 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 HA3 GLY 125 + H GLY 125 OK 90 90 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.3 3.0=100 HA2 GLY 125 + H GLY 125 OK 90 90 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1826 from nnoeabs.peaks (4.02, 7.86, 116.08 ppm; 2.98 A): 3 out of 5 assignments used, quality = 0.97: * HB2 SER 126 + H SER 126 OK 81 100 100 81 2.2-3.6 4.0=41, 1.8/7177=29...(7) HB3 SER 126 + H SER 126 OK 78 97 100 81 2.3-3.6 4.0=41, 1.8/7173=29...(8) HA LYS 123 + H SER 126 OK 37 100 100 37 3.4-4.2 8311=20, 3.6/2250=11...(4) HA PHE 120 - H SER 126 far 0 100 0 - 7.5-8.1 HA GLU 119 - H SER 126 far 0 99 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 1827 from nnoeabs.peaks (4.03, 7.86, 116.08 ppm; 2.98 A): 3 out of 5 assignments used, quality = 0.97: * HB3 SER 126 + H SER 126 OK 80 100 100 80 2.3-3.6 4.0=41, 1.8/7173=29...(8) HB2 SER 126 + H SER 126 OK 78 97 100 80 2.2-3.6 4.0=41, 1.8/7177=29...(7) HA LYS 123 + H SER 126 OK 36 99 100 36 3.4-4.2 8311=20, 3.6/2250=11...(4) HA PHE 120 - H SER 126 far 0 96 0 - 7.5-8.1 HA GLU 119 - H SER 126 far 0 100 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1830 from nnoeabs.peaks (1.93, 7.88, 122.37 ppm; 3.28 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LEU 127 + H LEU 127 OK 98 100 100 98 2.8-2.9 1.8/1831=58, 7188=58...(9) HB3 LYS 123 - H LEU 127 far 0 61 0 - 5.7-7.0 HB2 LYS 123 - H LEU 127 far 0 100 0 - 5.7-8.2 HB3 GLU 52 - H LEU 127 far 0 61 0 - 9.4-16.6 Violated in 0 structures by 0.00 A. Peak 1831 from nnoeabs.peaks (1.61, 7.88, 122.37 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + H LEU 127 OK 100 100 100 100 3.5-3.6 1.8/1830=84, 7195=79...(9) HD2 LYS 77 - H LEU 127 far 0 90 0 - 5.7-8.8 HD3 LYS 77 - H LEU 127 far 0 92 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 1832 from nnoeabs.peaks (1.86, 7.88, 122.37 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 127 + H LEU 127 OK 99 100 100 99 1.8-2.1 7202=66, 3.0/1830=55...(9) HB3 LYS 77 - H LEU 127 far 0 70 0 - 6.2-7.1 HB2 LYS 77 - H LEU 127 far 0 77 0 - 6.7-7.8 HD2 LYS 123 - H LEU 127 far 0 77 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 1833 from nnoeabs.peaks (0.93, 7.88, 122.37 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 127 + H LEU 127 OK 100 100 100 100 2.2-2.6 4.2=100 HG3 LYS 53 - H LEU 127 far 0 99 0 - 8.5-13.0 Violated in 0 structures by 0.00 A. Peak 1834 from nnoeabs.peaks (1.01, 7.88, 122.37 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + H LEU 127 OK 100 100 100 100 3.5-3.7 4.2=94, 2.1/1832=86...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1837 from nnoeabs.peaks (1.90, 8.08, 119.78 ppm; 3.02 A): 1 out of 3 assignments used, quality = 0.93: * HB2 GLU 128 + H GLU 128 OK 93 100 100 93 2.1-3.5 1.8/1838=62, 4.0=42...(13) HB3 LYS 123 - H GLU 128 far 0 84 0 - 7.5-8.8 HG2 MET 121 - H GLU 128 far 0 73 0 - 9.7-11.7 Violated in 1 structures by 0.02 A. Peak 1838 from nnoeabs.peaks (1.95, 8.08, 119.78 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.97: * HB3 GLU 128 + H GLU 128 OK 97 100 100 97 2.2-3.6 1.8/1837=76, 7235=65...(10) HB3 GLU 52 - H GLU 128 far 0 100 0 - 7.0-14.6 Violated in 16 structures by 0.21 A. Peak 1839 from nnoeabs.peaks (2.01, 8.08, 119.78 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 128 + H GLU 128 OK 96 100 100 96 1.9-4.5 3.0/1837=59, 3.0/1838=55...(10) * HG2 GLU 128 + H GLU 128 OK 96 100 100 96 1.7-4.4 3.0/1837=59, 3.0/1838=55...(10) HB2 MET 1 - H GLU 128 far 0 73 0 - 5.8-10.0 Violated in 3 structures by 0.03 A. Peak 1840 from nnoeabs.peaks (2.01, 8.08, 119.78 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 128 + H GLU 128 OK 96 100 100 96 1.9-4.5 3.0/1837=59, 3.0/1838=55...(10) HG2 GLU 128 + H GLU 128 OK 96 100 100 96 1.7-4.4 3.0/1837=59, 3.0/1838=55...(10) HB2 MET 1 - H GLU 128 far 0 73 0 - 5.8-10.0 Violated in 3 structures by 0.03 A. 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 100 100 100 100 4.3-4.5 4.7=100 Violated in 0 structures by 0.00 A. Peak 1857 from nnoeabs.peaks (8.04, 8.63, 125.54 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H THR 9 + H ASN 8 OK 100 100 100 100 4.0-4.2 4.6=100 H LYS 65 - H ASN 8 far 0 98 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 1858 from nnoeabs.peaks (8.44, 8.04, 118.49 ppm; 4.29 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 10 + H THR 9 OK 100 100 100 100 4.4-4.4 43/3.0=83, 4.6=79...(8) H GLN 62 + H LYS 65 OK 68 74 100 92 4.8-5.1 2.9/8103=66...(6) H GLN 83 - H THR 9 poor 20 100 20 - 5.4-6.6 H VAL 32 - H THR 9 far 0 100 0 - 8.1-9.3 H GLN 62 - H THR 9 far 0 98 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 1859 from nnoeabs.peaks (8.37, 8.44, 123.27 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + H ASN 10 OK 100 100 100 100 2.1-2.3 46=100, 9143/4.0=39...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 1861 from nnoeabs.peaks (8.29, 8.59, 126.31 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.95: * H GLU 13 + H ASP 12 OK 95 100 100 95 2.3-2.7 58=88, 62/1972=27...(7) Violated in 0 structures by 0.00 A. Peak 1862 from nnoeabs.peaks (7.58, 8.29, 119.33 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + H GLU 13 OK 100 100 100 100 2.6-2.9 62=100, 65/1085=43...(12) H LYS 17 - H GLU 13 far 0 98 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 1863 from nnoeabs.peaks (8.24, 7.58, 121.68 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.95: * H ILE 15 + H LEU 14 OK 95 100 100 95 2.4-3.1 68=56, 71/4.0=34...(12) H GLU 112 - H LEU 14 far 0 99 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1864 from nnoeabs.peaks (7.60, 8.24, 119.48 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 16 + H ILE 15 OK 99 100 100 99 2.6-3.1 75=79, 77/1097=48...(9) Violated in 0 structures by 0.00 A. Peak 1865 from nnoeabs.peaks (7.58, 7.60, 117.60 ppm; 2.40 A): 1 out of 2 assignments used, quality = 0.95: * H LYS 17 + H LYS 16 OK 95 100 100 95 2.7-2.8 82=88, 86/1106=16...(11) H LEU 14 - H LYS 16 far 0 98 0 - 4.4-4.9 Violated in 20 structures by 0.36 A. Peak 1866 from nnoeabs.peaks (8.79, 7.58, 118.83 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + H LYS 17 OK 100 100 100 100 2.6-3.0 92=100, 94/1114=44...(12) Violated in 0 structures by 0.00 A. Peak 1867 from nnoeabs.peaks (8.53, 8.79, 120.96 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + H ILE 18 OK 100 100 100 100 2.4-2.9 102=100, 7384/2907=39...(11) Violated in 0 structures by 0.00 A. Peak 1868 from nnoeabs.peaks (7.30, 8.53, 118.32 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + H LYS 19 OK 100 100 100 100 2.6-2.9 109=100, 111/1131=58...(13) Violated in 0 structures by 0.00 A. Peak 1869 from nnoeabs.peaks (7.67, 7.30, 116.28 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.96: * H GLU 21 + H LYS 20 OK 96 100 100 96 2.5-2.7 119=68, 120/3.0=46...(10) HE ARG 118 - H LYS 20 far 0 100 0 - 7.4-14.7 Violated in 0 structures by 0.00 A. Peak 1873 from nnoeabs.peaks (8.78, 8.34, 120.36 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + H GLN 28 OK 100 100 100 100 4.3-4.6 4.6=100 H ILE 5 - H GLN 28 far 4 90 5 - 6.7-7.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.5 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.3 4.7=100 Violated in 0 structures by 0.00 A. Peak 1878 from nnoeabs.peaks (7.62, 9.55, 122.70 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 34 + H ASN 33 OK 100 100 100 100 2.0-2.2 187=100, 9322/183=38...(10) H LEU 64 - H ASN 33 far 0 92 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 1880 from nnoeabs.peaks (8.39, 8.87, 114.38 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.99: * H ASP 36 + H SER 35 OK 99 100 100 99 2.5-2.9 197=80, 199/1220=49...(9) H MET 67 - H SER 35 far 0 98 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 1881 from nnoeabs.peaks (9.01, 8.39, 124.69 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H ASP 36 OK 100 100 100 100 2.4-2.9 201=96, 203/1224=40...(12) Violated in 0 structures by 0.00 A. Peak 1882 from nnoeabs.peaks (8.20, 9.01, 122.45 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H GLU 37 OK 100 100 100 100 2.3-2.6 205=92, 208/1229=44...(14) Violated in 0 structures by 0.00 A. Peak 1883 from nnoeabs.peaks (7.83, 8.20, 119.58 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + H LEU 38 OK 100 100 100 100 2.4-2.6 211=88, 213/3.8=44...(19) HE21 GLN 62 - H LEU 38 far 0 65 0 - 8.2-13.8 Violated in 0 structures by 0.00 A. Peak 1884 from nnoeabs.peaks (7.78, 7.83, 118.40 ppm; 2.68 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 40 + H LYS 39 OK 100 100 100 100 2.9-3.1 218=100, 7473/4.0=15...(12) H LYS 96 + H ILE 97 OK 81 86 100 95 2.7-3.1 1939=74, 6091/7797=32...(10) Violated in 8 structures by 0.01 A. Peak 1885 from nnoeabs.peaks (8.72, 7.78, 119.27 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + H LYS 40 OK 100 100 100 100 2.4-2.7 228=100, 230/1251=63...(12) Violated in 0 structures by 0.00 A. Peak 1886 from nnoeabs.peaks (8.78, 8.72, 119.65 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.99: * H MET 42 + H GLU 41 OK 99 100 100 99 2.9-3.1 238=90, 8062/3.6=30...(11) Violated in 0 structures by 0.00 A. Peak 1887 from nnoeabs.peaks (7.50, 8.78, 118.11 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + H MET 42 OK 100 100 100 100 2.2-2.5 244=100, 247/3.9=45...(11) Violated in 0 structures by 0.00 A. Peak 1888 from nnoeabs.peaks (7.45, 7.50, 120.74 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.95: * H LYS 44 + H LYS 43 OK 95 100 100 95 2.4-2.6 251=77, 252/3.0=37...(12) Violated in 0 structures by 0.00 A. Peak 1889 from nnoeabs.peaks (8.16, 7.45, 118.27 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + H LYS 44 OK 100 100 100 100 2.9-3.2 261=96, 265/1286=31...(13) Violated in 0 structures by 0.00 A. Peak 1890 from nnoeabs.peaks (7.64, 8.16, 117.78 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + H LEU 45 OK 100 100 100 100 2.9-3.1 271=95, 275/1296=54...(13) HD21 ASN 50 - H LEU 45 far 5 99 5 - 4.8-12.1 Violated in 0 structures by 0.00 A. Peak 1891 from nnoeabs.peaks (7.71, 7.64, 118.54 ppm; 2.96 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 47 + H ALA 46 OK 94 100 100 94 2.6-2.9 278=74, 280/1301=44...(8) H LEU 70 + H GLU 69 OK 65 70 100 93 2.6-3.0 428=60, 431/5009=27...(13) H LYS 73 - H GLU 69 far 0 61 0 - 5.7-7.1 H LYS 73 - H ALA 46 far 0 92 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 1892 from nnoeabs.peaks (7.75, 7.71, 115.49 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + H GLU 47 OK 100 100 100 100 2.1-2.5 281=100, 284/1305=21...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 1898 from nnoeabs.peaks (9.18, 9.10, 130.09 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H LEU 55 OK 100 100 100 100 4.3-4.5 4.5=94, 332/3.0=86...(11) Violated in 7 structures by 0.02 A. Peak 1899 from nnoeabs.peaks (8.54, 9.18, 125.98 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + H ILE 56 OK 100 100 100 100 4.5-4.6 4.6=100 H LYS 19 - H ILE 56 far 0 94 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1900 from nnoeabs.peaks (8.81, 8.54, 127.24 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * H SER 58 + H ILE 57 OK 100 100 100 100 4.3-4.4 4.7=100 H ASN 59 - H ILE 57 far 0 73 0 - 7.0-7.4 H ILE 54 - H ILE 57 far 0 98 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 1902 from nnoeabs.peaks (7.86, 8.79, 122.38 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 60 + H ASN 59 OK 100 100 100 100 2.0-2.4 356=100, 9630/9624=31...(8) HE21 GLN 62 - H ASN 59 far 0 92 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 1904 from nnoeabs.peaks (8.43, 8.90, 125.82 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 62 + H LYS 61 OK 99 100 100 99 2.4-2.7 366=93, 368/3.7=41...(8) H ASN 10 - H LYS 61 far 0 98 0 - 8.6-9.6 H GLN 83 - H LYS 61 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 1905 from nnoeabs.peaks (7.67, 8.43, 118.92 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 63 + H GLN 62 OK 98 100 100 98 2.3-2.6 376=81, 377/2.9=41...(15) Violated in 0 structures by 0.00 A. Peak 1906 from nnoeabs.peaks (7.63, 7.67, 120.07 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + H LEU 63 OK 100 100 100 100 2.6-2.8 384=100, 387/1411=35...(14) H ASP 34 - H LEU 63 far 0 92 0 - 7.7-8.8 HD21 ASN 10 - H LEU 63 far 0 77 0 - 8.9-13.6 H GLU 69 - H LEU 63 far 0 100 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 1907 from nnoeabs.peaks (8.04, 7.63, 117.70 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + H LEU 64 OK 100 100 100 100 2.6-3.0 391=71, 2086/384=46...(17) H THR 9 - H LEU 64 far 0 98 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 1908 from nnoeabs.peaks (7.80, 8.04, 118.31 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 66 + H LYS 65 OK 99 100 100 99 2.5-3.1 398=79, 2093/2087=40...(12) Violated in 0 structures by 0.00 A. Peak 1909 from nnoeabs.peaks (8.39, 7.80, 119.36 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + H GLU 66 OK 100 100 100 100 2.7-2.9 408=100, 411/1435=55...(18) Violated in 0 structures by 0.00 A. Peak 1910 from nnoeabs.peaks (8.47, 8.39, 118.40 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H MET 67 OK 100 100 100 100 2.5-2.9 414=100, 4.6/1440=33...(15) Violated in 0 structures by 0.00 A. Peak 1911 from nnoeabs.peaks (7.63, 8.47, 118.27 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + H LEU 68 OK 100 100 100 100 2.7-3.0 421=100, 423/1447=46...(13) H LEU 64 - H LEU 68 far 0 100 0 - 5.7-6.0 H LEU 74 - H LEU 68 far 0 65 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 1912 from nnoeabs.peaks (7.72, 7.63, 118.68 ppm; 3.16 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + H GLU 69 OK 99 100 100 99 2.6-3.0 428=83, 431/1455=38...(13) H GLU 47 + H ALA 46 OK 67 70 100 96 2.6-2.9 278=79, 280/2.9=48...(8) H LYS 73 - H GLU 69 far 0 98 0 - 5.7-7.1 H LYS 73 - H ALA 46 far 0 68 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 1913 from nnoeabs.peaks (8.60, 7.72, 119.50 ppm; 3.55 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 71 + H LEU 70 OK 99 100 100 99 2.5-2.7 434=54, 437/1461=41...(14) Violated in 0 structures by 0.00 A. Peak 1914 from nnoeabs.peaks (8.02, 8.60, 116.79 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H SER 72 + H ILE 71 OK 100 100 100 100 2.3-2.8 441=100, 4.5/1467=43...(12) H LYS 65 - H ILE 71 far 0 77 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 1915 from nnoeabs.peaks (7.72, 8.02, 116.52 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 73 + H SER 72 OK 100 100 100 100 2.4-2.9 448=98, 2127/2122=36...(17) H LEU 70 + H SER 72 OK 92 98 100 93 3.7-4.5 1913/441=50, 3.6/2122=47...(11) Violated in 0 structures by 0.00 A. Peak 1916 from nnoeabs.peaks (7.61, 7.72, 120.73 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + H LYS 73 OK 100 100 100 100 2.3-2.7 452=100, 7671/1480=35...(15) H GLU 69 - H LYS 73 far 0 65 0 - 5.7-7.1 Violated in 0 structures by 0.00 A. Peak 1917 from nnoeabs.peaks (7.92, 7.61, 117.57 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H LEU 74 OK 100 100 100 100 2.3-2.8 462=100, 469/9827=33...(10) Violated in 0 structures by 0.00 A. Peak 1918 from nnoeabs.peaks (7.37, 7.92, 105.99 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + H GLY 75 OK 100 100 100 100 2.3-2.7 469=100, 9827/462=37...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.3 4.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 1922 from nnoeabs.peaks (8.60, 8.37, 126.17 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 80 + H PHE 79 OK 100 100 100 100 4.5-4.6 4.7=100 H ALA 124 - H PHE 79 far 0 100 0 - 7.3-8.0 H ILE 71 - H PHE 79 far 0 100 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.0-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 1925 from nnoeabs.peaks (8.44, 8.86, 124.89 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 83 + H LEU 82 OK 100 100 100 100 4.5-4.5 4.6=100 H ASN 10 - H LEU 82 far 0 100 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 1926 from nnoeabs.peaks (8.21, 8.44, 122.15 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + H GLN 83 OK 100 100 100 100 3.9-4.3 4.5=100 H GLU 89 - H GLN 83 far 0 73 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1928 from nnoeabs.peaks (8.69, 8.62, 120.20 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 86 + H GLN 85 OK 100 100 100 100 2.3-3.1 536=100, 537/3.0=50...(11) H ASP 110 - H GLN 85 far 0 99 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 1930 from nnoeabs.peaks (8.53, 8.64, 123.60 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + H GLU 87 OK 100 100 100 100 2.1-2.7 548=100, 550/1574=56...(7) Violated in 0 structures by 0.00 A. Peak 1931 from nnoeabs.peaks (8.22, 8.53, 118.84 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 89 + H ASN 88 OK 98 100 100 98 2.6-3.1 554=76, 557/1581=44...(11) H ASP 84 - H ASN 88 far 0 73 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 1932 from nnoeabs.peaks (8.05, 8.22, 120.95 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 90 + H GLU 89 OK 99 100 100 99 2.3-2.8 560=81, 7752/3.0=62...(13) Violated in 0 structures by 0.00 A. Peak 1933 from nnoeabs.peaks (7.94, 8.05, 119.58 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + H LEU 90 OK 100 100 100 100 2.7-3.1 566=100, 568/1592=55...(9) Violated in 0 structures by 0.00 A. Peak 1934 from nnoeabs.peaks (8.09, 7.94, 119.03 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 92 + H GLU 91 OK 97 100 100 97 2.7-3.0 573=63, 574/2.9=46...(11) H PHE 93 - H GLU 91 far 4 77 5 - 4.7-4.9 Violated in 0 structures by 0.00 A. 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): 1 out of 1 assignment used, quality = 0.95: * H LYS 94 + H PHE 93 OK 95 100 100 95 2.5-2.9 585=64, 588/1612=44...(9) Violated in 0 structures by 0.00 A. Peak 1937 from nnoeabs.peaks (8.16, 8.61, 118.94 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + H LYS 94 OK 100 100 100 100 2.6-3.1 593=98, 596/1620=44...(12) Violated in 0 structures by 0.00 A. Peak 1938 from nnoeabs.peaks (7.79, 8.16, 117.19 ppm; 3.37 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 96 + H ARG 95 OK 98 100 100 98 2.7-2.9 603=70, 607/1631=48...(17) Violated in 0 structures by 0.00 A. Peak 1939 from nnoeabs.peaks (7.83, 7.79, 119.58 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.94: * H ILE 97 + H LYS 96 OK 94 100 100 94 2.7-3.1 611=54, 7797/6091=39...(11) Violated in 16 structures by 0.07 A. Peak 1940 from nnoeabs.peaks (8.67, 7.83, 118.55 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + H ILE 97 OK 100 100 100 100 2.3-3.0 621=100, 623/1647=45...(12) H VAL 104 - H ILE 97 far 0 61 0 - 6.8-8.0 Violated in 0 structures by 0.00 A. Peak 1941 from nnoeabs.peaks (8.10, 8.67, 121.98 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * H SER 99 + H GLU 98 OK 100 100 100 100 2.5-3.0 628=100, 7812/6215=63...(10) H PHE 93 - H GLU 98 far 0 99 0 - 7.4-8.3 H GLU 92 - H GLU 98 far 0 90 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 1942 from nnoeabs.peaks (7.62, 8.10, 115.50 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.96: * H GLN 100 + H SER 99 OK 96 100 100 96 2.3-2.9 634=76, 1665/7812=26...(9) Violated in 0 structures by 0.00 A. Peak 1943 from nnoeabs.peaks (7.95, 7.62, 119.30 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + H GLN 100 OK 100 100 100 100 2.8-3.1 638=100, 639/3.0=74...(9) Violated in 0 structures by 0.00 A. Peak 1944 from nnoeabs.peaks (6.89, 7.95, 105.77 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.83: * H TYR 102 + H GLY 101 OK 83 100 100 83 1.8-2.3 646=78, 10166/10159=20 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 1946 from nnoeabs.peaks (8.65, 8.32, 122.86 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 104 + H GLU 103 OK 100 100 100 100 4.4-4.6 4.7=100 H GLU 98 - H GLU 103 far 0 61 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 1948 from nnoeabs.peaks (8.81, 8.71, 124.86 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + H ARG 105 OK 100 100 100 100 4.1-4.5 4.6=92, 669/3.0=87...(11) H PHE 120 - H ARG 105 far 0 61 0 - 8.2-10.2 Violated in 2 structures by 0.00 A. 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 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 1951 from nnoeabs.peaks (8.04, 8.60, 114.07 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 109 + H THR 108 OK 100 100 100 100 1.9-2.1 691=100, 692/2.9=50...(9) H LEU 90 - H THR 108 far 0 90 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1952 from nnoeabs.peaks (8.70, 8.04, 122.57 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 110 + H ASP 109 OK 100 100 100 100 4.6-4.6 4.6=100 H ASP 86 - H ASP 109 far 0 99 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 1953 from nnoeabs.peaks (8.21, 8.70, 122.85 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.92: * H GLU 111 + H ASP 110 OK 92 100 100 92 2.4-2.7 699=59, 7868/1726=37...(10) H ASP 84 - H ASP 110 far 0 96 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 1955 from nnoeabs.peaks (8.12, 8.23, 121.40 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 113 + H GLU 112 OK 100 100 100 100 2.5-3.0 709=100, 2.9/10398=38...(13) H VAL 117 - H GLU 112 far 0 100 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 1956 from nnoeabs.peaks (7.74, 8.12, 120.32 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 114 + H ALA 113 OK 100 100 100 100 2.4-3.0 715=100, 7880/1741=54...(20) H LEU 114 - H VAL 117 far 0 97 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 1957 from nnoeabs.peaks (7.62, 7.74, 116.90 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 115 + H LEU 114 OK 100 100 100 100 2.4-2.7 718=100, 4.3/1744=37...(22) HE ARG 105 - H LEU 114 far 0 65 0 - 8.7-13.7 H LYS 16 - H LEU 114 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 1958 from nnoeabs.peaks (8.00, 7.62, 119.07 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.99: * H ILE 116 + H LYS 115 OK 99 100 100 99 2.3-2.6 725=84, 729/1753=47...(17) H SER 72 - H GLN 100 far 0 34 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 1959 from nnoeabs.peaks (8.12, 8.00, 120.61 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + H ILE 116 OK 100 100 100 100 2.5-2.9 735=100, 737/1761=53...(11) H ALA 113 + H ILE 116 OK 84 100 90 93 4.5-5.0 3.6/8249=28, 715/2193=28...(16) Violated in 0 structures by 0.00 A. Peak 1960 from nnoeabs.peaks (8.03, 8.12, 120.23 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.97: * H ARG 118 + H VAL 117 OK 97 100 100 97 2.5-2.8 742=70, 745/6841=43...(11) H ASP 109 - H ALA 113 poor 18 87 40 52 4.3-5.1 10354/1769=14...(9) H ARG 118 - H ALA 113 far 0 97 0 - 8.3-8.8 H VAL 22 - H VAL 117 far 0 90 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 1961 from nnoeabs.peaks (7.92, 8.03, 118.42 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + H ARG 118 OK 100 100 100 100 2.8-2.9 747=100, 10546/1774=54...(11) Violated in 0 structures by 0.00 A. Peak 1962 from nnoeabs.peaks (8.83, 7.92, 122.42 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.98: * H PHE 120 + H GLU 119 OK 98 100 100 98 2.5-2.9 755=86, 2213/747=33...(11) Violated in 0 structures by 0.00 A. Peak 1963 from nnoeabs.peaks (8.32, 8.83, 119.60 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H MET 121 + H PHE 120 OK 100 100 100 100 2.7-2.9 761=100, 763/1787=49...(13) H GLU 103 - H PHE 120 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1964 from nnoeabs.peaks (8.05, 8.32, 116.60 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 122 + H MET 121 OK 99 100 100 99 2.6-2.9 769=86, 771/1795=49...(9) H VAL 22 - H MET 121 far 0 70 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 1965 from nnoeabs.peaks (8.40, 8.05, 120.56 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 123 + H GLN 122 OK 98 100 100 98 2.6-2.9 776=83, 7933/7051=33...(12) Violated in 0 structures by 0.00 A. Peak 1966 from nnoeabs.peaks (8.60, 8.40, 121.61 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + H LYS 123 OK 100 100 100 100 2.9-3.1 784=100, 786/1810=51...(10) Violated in 0 structures by 0.00 A. Peak 1967 from nnoeabs.peaks (7.95, 8.60, 121.87 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 125 + H ALA 124 OK 100 100 100 100 2.7-2.7 794=99, 8308/8307=31...(4) H LYS 53 - H ALA 124 far 0 84 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1968 from nnoeabs.peaks (7.86, 7.95, 104.75 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H SER 126 + H GLY 125 OK 100 100 100 100 2.5-2.8 797=100, 10635/3.6=40...(8) Violated in 0 structures by 0.00 A. Peak 1969 from nnoeabs.peaks (7.88, 7.86, 116.08 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + H SER 126 OK 100 100 100 100 2.3-2.6 800=100, 2257/8317=11...(7) Violated in 1 structures by 0.00 A. Peak 1970 from nnoeabs.peaks (8.08, 7.88, 122.37 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H LEU 127 OK 100 100 100 100 2.3-2.8 804=100, 806/1830=60...(14) Violated in 0 structures by 0.00 A. Peak 1972 from nnoeabs.peaks (7.58, 8.59, 126.31 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + H ASP 12 OK 100 100 100 100 4.0-4.6 62/1861=91, 1975=90...(10) H LYS 17 - H ASP 12 far 0 98 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 1974 from nnoeabs.peaks (4.27, 7.58, 121.68 ppm; 5.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + H LEU 14 OK 100 100 100 100 3.6-4.7 3.6/62=98, 1979/1863=94...(7) Violated in 0 structures by 0.00 A. Peak 1975 from nnoeabs.peaks (8.59, 7.58, 121.68 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + H LEU 14 OK 100 100 100 100 4.0-4.6 1972=100, 1861/62=94...(10) Violated in 0 structures by 0.00 A. Peak 1979 from nnoeabs.peaks (4.27, 8.24, 119.48 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.99: * HA ASP 12 + H ILE 15 OK 99 100 100 99 3.2-3.8 7964=68, 7965/3.8=59...(8) Violated in 0 structures by 0.00 A. Peak 1983 from nnoeabs.peaks (4.03, 7.60, 117.60 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.98: * HA GLU 13 + H LYS 16 OK 95 100 100 95 3.6-4.0 1989/1865=64...(8) HA3 GLY 75 + H LEU 74 OK 58 75 95 81 4.5-5.3 3.0/462=64, 3.6/9827=36 HA3 GLY 101 - H LEU 74 far 0 64 0 - 8.6-11.7 Violated in 6 structures by 0.01 A. Peak 1985 from nnoeabs.peaks (8.79, 7.60, 117.60 ppm; 5.80 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 18 + H LYS 16 OK 100 100 100 100 4.1-4.8 92/1865=100, 1993/3.6=86...(4) H MET 42 - H LEU 74 far 0 94 0 - 9.1-10.8 H ASN 59 - H LYS 16 far 0 94 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1987 from nnoeabs.peaks (8.24, 7.58, 118.83 ppm; 6.15 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + H LYS 17 OK 100 100 100 100 3.8-4.4 1864/82=100, 3.6/1988=49...(11) Violated in 0 structures by 0.00 A. Peak 1988 from nnoeabs.peaks (3.98, 7.58, 118.83 ppm; 3.34 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 17 + H LYS 17 OK 97 97 100 100 2.8-2.8 3.0=100 * HA LEU 14 + H LYS 17 OK 96 100 100 96 3.5-4.1 7976=36, 7977/1114=34...(17) HA GLU 111 - H LYS 17 far 0 100 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 1989 from nnoeabs.peaks (4.03, 7.58, 118.83 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.97: * HA GLU 13 + H LYS 17 OK 97 100 100 97 3.4-4.0 7348=48, 1983/1865=41...(12) Violated in 9 structures by 0.05 A. Peak 1990 from nnoeabs.peaks (8.53, 7.58, 118.83 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + H LYS 17 OK 100 100 100 100 3.9-4.3 1997=100, 102/92=93, 1998/3.6=81 Violated in 0 structures by 0.00 A. Peak 1993 from nnoeabs.peaks (3.22, 8.79, 120.96 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 15 + H ILE 18 OK 99 100 100 99 3.6-4.3 7983=86, 7985/2907=56...(12) Violated in 0 structures by 0.00 A. Peak 1995 from nnoeabs.peaks (7.30, 8.79, 120.96 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + H ILE 18 OK 100 100 100 100 4.1-4.4 2002=100, 109/102=98...(6) Violated in 0 structures by 0.00 A. Peak 1997 from nnoeabs.peaks (7.58, 8.53, 118.32 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + H LYS 19 OK 100 100 100 100 3.9-4.3 1990=100, 92/102=93, 3.6/1998=80 H LEU 14 - H LYS 19 far 0 98 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 1998 from nnoeabs.peaks (3.84, 8.53, 118.32 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + H LYS 19 OK 100 100 100 100 3.3-4.0 7988=80, 7989/1131=72...(8) Violated in 0 structures by 0.00 A. Peak 1999 from nnoeabs.peaks (3.22, 8.53, 118.32 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + H LYS 19 OK 100 100 100 100 3.6-4.3 7986=100, 1993/102=84...(9) Violated in 0 structures by 0.00 A. Peak 2001 from nnoeabs.peaks (3.37, 7.30, 116.28 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + H LYS 20 OK 100 100 100 100 3.9-4.2 8001=100, 3.6/109=98...(8) Violated in 0 structures by 0.00 A. Peak 2002 from nnoeabs.peaks (8.79, 7.30, 116.28 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 18 + H LYS 20 OK 100 100 100 100 4.1-4.4 102/109=87, 3.6/2003=80...(6) H VAL 29 - H LYS 20 far 0 94 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 2003 from nnoeabs.peaks (3.99, 7.30, 116.28 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.94: * HA LYS 17 + H LYS 20 OK 94 100 100 94 3.5-4.0 7995=55, 11543/1144=41...(8) HA LEU 14 - H LYS 20 far 0 97 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 2004 from nnoeabs.peaks (3.84, 7.30, 116.28 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + H LYS 20 OK 100 100 100 100 4.3-4.9 7991/112=94, 7989/111=82...(8) Violated in 0 structures by 0.00 A. Peak 2008 from nnoeabs.peaks (3.37, 7.67, 118.49 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + H GLU 21 OK 100 100 100 100 3.2-3.7 8002=95, 8005/1152=64...(9) Violated in 0 structures by 0.00 A. Peak 2024 from nnoeabs.peaks (9.01, 8.87, 114.38 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H SER 35 OK 100 100 100 100 4.0-4.4 1881/1880=90...(7) Violated in 0 structures by 0.00 A. Peak 2025 from nnoeabs.peaks (8.20, 8.39, 124.69 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H ASP 36 OK 100 100 100 100 3.9-4.4 2030=100, 1882/1881=93...(11) Violated in 0 structures by 0.00 A. Peak 2028 from nnoeabs.peaks (7.83, 9.01, 122.45 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + H GLU 37 OK 100 100 100 100 3.7-4.1 1883/1882=87...(9) HE21 GLN 62 - H GLU 37 far 0 65 0 - 9.0-14.7 Violated in 0 structures by 0.00 A. Peak 2030 from nnoeabs.peaks (8.39, 8.20, 119.58 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + H LEU 38 OK 100 100 100 100 3.9-4.4 1881/1882=83, 2025=70...(11) H MET 67 - H LEU 38 far 0 98 0 - 7.6-8.6 H ASP 31 - H LEU 38 far 0 90 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 2031 from nnoeabs.peaks (4.05, 8.20, 119.58 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 35 + H LEU 38 OK 100 100 100 100 3.0-3.4 8028=68, 8029/3.8=48...(17) HA GLU 37 + H LEU 38 OK 84 84 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2035 from nnoeabs.peaks (4.52, 7.83, 118.40 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 36 + H LYS 39 OK 100 100 100 100 3.3-3.8 8035=69, 2041/218=55...(13) HA GLU 103 - H ILE 97 far 0 75 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 2036 from nnoeabs.peaks (4.05, 7.83, 118.40 ppm; 4.34 A): 3 out of 6 assignments used, quality = 1.00: * HA SER 35 + H LYS 39 OK 100 100 100 100 3.6-4.0 8033=65, 8029/213=64...(19) HA GLU 37 + H LYS 39 OK 81 84 100 97 4.1-4.6 3.6/1883=66, 2040/218=60...(8) HA LYS 96 + H ILE 97 OK 51 51 100 100 3.6-3.6 3.6=100 HA GLU 92 - H ILE 97 far 0 68 0 - 6.9-7.8 HA LYS 44 - H LYS 39 far 0 77 0 - 9.1-9.6 HA GLU 69 - H ILE 97 far 0 82 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 2039 from nnoeabs.peaks (8.20, 7.78, 119.27 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LYS 40 OK 100 100 100 100 4.2-4.9 1883/218=96, 3.6/2040=89...(7) Violated in 0 structures by 0.00 A. Peak 2040 from nnoeabs.peaks (4.06, 7.78, 119.27 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.88: * HA GLU 37 + H LYS 40 OK 88 100 100 88 3.9-4.3 8044/1251=51, 8042=45...(5) HA LYS 44 - H LYS 40 far 0 100 0 - 6.3-6.9 HA SER 35 - H LYS 40 far 0 84 0 - 6.6-7.0 Violated in 20 structures by 0.90 A. Peak 2041 from nnoeabs.peaks (4.52, 7.78, 119.27 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + H LYS 40 OK 100 100 100 100 4.3-5.0 8040=94, 2035/218=84...(13) Violated in 0 structures by 0.00 A. Peak 2043 from nnoeabs.peaks (3.84, 8.72, 119.65 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H GLU 41 OK 100 100 100 100 4.2-4.7 8055=100, 3.6/228=99...(7) Violated in 0 structures by 0.00 A. Peak 2045 from nnoeabs.peaks (3.91, 8.72, 119.65 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.97: * HA LEU 38 + H GLU 41 OK 97 100 100 97 2.9-3.6 8049=56, 8048/228=45...(8) HB2 SER 35 - H GLU 41 far 0 96 0 - 8.6-9.9 HA LEU 64 - H GLU 41 far 0 99 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 2046 from nnoeabs.peaks (4.06, 8.72, 119.65 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.98: * HA GLU 37 + H GLU 41 OK 98 100 100 98 4.1-5.1 2040/228=82, 8044/230=81...(4) HA LYS 44 - H GLU 41 far 5 100 5 - 6.0-6.5 HA SER 35 - H GLU 41 far 0 84 0 - 7.0-7.4 Violated in 5 structures by 0.06 A. Peak 2047 from nnoeabs.peaks (7.50, 8.72, 119.65 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + H GLU 41 OK 100 100 100 100 3.8-4.2 2054=98, 244/1886=93...(8) Violated in 0 structures by 0.00 A. Peak 2048 from nnoeabs.peaks (4.02, 8.78, 118.11 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 40 + H MET 42 OK 100 100 100 100 4.1-4.6 8062=100, 3.6/1886=98...(4) HA GLU 66 - H MET 42 far 0 99 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 2050 from nnoeabs.peaks (3.84, 8.78, 118.11 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H MET 42 OK 100 100 100 100 4.1-4.6 8056=99, 3.6/11316=46...(9) Violated in 10 structures by 0.04 A. Peak 2051 from nnoeabs.peaks (3.91, 8.78, 118.11 ppm; 5.94 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + H MET 42 OK 100 100 100 100 3.9-4.8 8054=100, 2045/1886=87...(12) HA LEU 64 - H MET 42 far 0 99 0 - 8.6-10.1 HB2 SER 35 - H MET 42 far 0 96 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2052 from nnoeabs.peaks (7.45, 8.78, 118.11 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 44 + H MET 42 OK 99 100 100 99 3.6-4.2 1888/244=84, 2059=73...(4) Violated in 0 structures by 0.00 A. Peak 2053 from nnoeabs.peaks (4.26, 7.50, 120.74 ppm; 5.56 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 41 + H LYS 43 OK 100 100 100 100 4.5-4.9 2060/1888=95, 3.6/244=94...(6) HA ALA 46 - H LYS 43 far 0 90 0 - 7.6-8.1 HA GLU 47 - H LYS 43 far 0 84 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 2054 from nnoeabs.peaks (8.72, 7.50, 120.74 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + H LYS 43 OK 100 100 100 100 3.8-4.2 2047=100, 1886/244=94...(8) Violated in 0 structures by 0.00 A. Peak 2055 from nnoeabs.peaks (4.02, 7.50, 120.74 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.96: * HA LYS 40 + H LYS 43 OK 96 100 100 96 2.9-3.2 8063=73, 8062/244=38...(10) HA GLU 66 - H LYS 43 far 0 99 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 2056 from nnoeabs.peaks (3.84, 7.50, 120.74 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 43 OK 100 100 100 100 4.1-4.8 8061=94, 2050/244=79...(10) Violated in 0 structures by 0.00 A. Peak 2057 from nnoeabs.peaks (8.16, 7.50, 120.74 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + H LYS 43 OK 100 100 100 100 4.0-5.0 1889/1888=99...(8) Violated in 0 structures by 0.00 A. Peak 2058 from nnoeabs.peaks (4.38, 7.45, 118.27 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 42 + H LYS 44 OK 100 100 100 100 4.2-5.0 3.6/1888=100...(5) HA GLU 48 - H LYS 44 far 0 92 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 2059 from nnoeabs.peaks (8.78, 7.45, 118.27 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + H LYS 44 OK 100 100 100 100 3.6-4.2 2052=100, 244/1888=93...(4) Violated in 0 structures by 0.00 A. Peak 2060 from nnoeabs.peaks (4.26, 7.45, 118.27 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.97: * HA GLU 41 + H LYS 44 OK 97 100 100 97 3.9-4.5 8070=61, 3.6/2052=44...(10) HA ALA 46 - H LYS 44 far 0 90 0 - 7.0-7.3 HA GLU 47 - H LYS 44 far 0 84 0 - 7.1-7.7 HA GLU 52 - H LYS 44 far 0 99 0 - 9.7-16.1 Violated in 20 structures by 0.28 A. Peak 2062 from nnoeabs.peaks (7.64, 7.45, 118.27 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.99: * H ALA 46 + H LYS 44 OK 99 100 100 99 4.5-4.7 2070/252=82...(5) HD21 ASN 50 - H LYS 44 far 0 99 0 - 7.6-15.0 Violated in 8 structures by 0.02 A. Peak 2065 from nnoeabs.peaks (4.38, 8.16, 117.78 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.99: * HA MET 42 + H LEU 45 OK 99 100 100 99 4.0-4.5 9435/1297=50...(10) HA GLU 48 - H LEU 45 far 0 92 0 - 6.9-7.7 Violated in 14 structures by 0.12 A. Peak 2066 from nnoeabs.peaks (4.26, 8.16, 117.78 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.99: * HA GLU 41 + H LEU 45 OK 96 100 100 96 4.6-5.4 2060/1889=70...(8) HA ALA 46 + H LEU 45 OK 88 90 100 98 5.4-5.6 3.0/1890=85, 2.1/9453=65...(6) HA GLU 47 - H LEU 45 far 0 84 0 - 6.7-7.1 HA GLU 52 - H LEU 45 far 0 99 0 - 6.8-13.3 Violated in 15 structures by 0.12 A. Peak 2069 from nnoeabs.peaks (7.45, 7.64, 118.54 ppm; 5.98 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + H ALA 46 OK 100 100 100 100 4.5-4.7 2062=100, 252/2070=99...(5) Violated in 0 structures by 0.00 A. Peak 2070 from nnoeabs.peaks (4.09, 7.64, 118.54 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.90: * HA LYS 43 + H ALA 46 OK 90 100 100 90 3.4-3.5 8084=65, 8085/1301=56...(5) HA GLN 62 - H GLU 69 far 0 43 0 - 8.4-8.9 Violated in 20 structures by 0.24 A. Peak 2071 from nnoeabs.peaks (4.38, 7.64, 118.54 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 42 + H ALA 46 OK 100 100 100 100 5.1-5.6 2065/1890=71...(8) HA GLU 48 - H ALA 46 far 5 92 5 - 6.1-7.2 HA SER 72 - H GLU 69 far 0 40 0 - 6.8-7.7 HA MET 42 - H GLU 69 far 0 72 0 - 8.8-9.7 Violated in 20 structures by 0.58 A. Peak 2072 from nnoeabs.peaks (4.15, 7.71, 115.49 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 45 + H GLU 47 OK 98 100 100 98 3.8-4.1 3.6/278=92, 3.0/2073=69...(5) Violated in 0 structures by 0.00 A. Peak 2073 from nnoeabs.peaks (8.16, 7.71, 115.49 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + H GLU 47 OK 100 100 100 100 3.8-4.2 1890/278=94, 3.6/2074=81...(10) Violated in 0 structures by 0.00 A. Peak 2074 from nnoeabs.peaks (4.06, 7.71, 115.49 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.99: * HA LYS 44 + H GLU 47 OK 99 100 100 99 3.4-3.7 8092/1305=72...(8) Violated in 0 structures by 0.00 A. Peak 2078 from nnoeabs.peaks (3.72, 7.67, 120.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + H LEU 63 OK 100 100 100 100 3.9-4.3 8095=100, 3.6/1905=100...(5) Violated in 0 structures by 0.00 A. Peak 2080 from nnoeabs.peaks (8.04, 7.67, 120.07 ppm; 5.62 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + H LEU 63 OK 100 100 100 100 3.7-4.4 1907/384=97, 2087/377=89...(7) H THR 9 - H LEU 63 far 0 98 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 2081 from nnoeabs.peaks (4.11, 7.63, 117.70 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.99: * HA GLN 62 + H LEU 64 OK 99 100 100 99 4.7-5.0 377/384=79, 8102=63...(7) Violated in 20 structures by 0.67 A. Peak 2082 from nnoeabs.peaks (8.43, 7.63, 117.70 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 62 + H LEU 64 OK 100 100 100 100 4.2-4.6 1905/384=99, 2.9/2081=84...(11) H VAL 32 - H LEU 64 far 0 97 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 2083 from nnoeabs.peaks (3.72, 7.63, 117.70 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + H LEU 64 OK 100 100 100 100 3.6-4.0 8096=75, 8095/384=64...(9) Violated in 0 structures by 0.00 A. Peak 2084 from nnoeabs.peaks (7.80, 7.63, 117.70 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 66 + H LEU 64 OK 99 100 100 99 4.2-4.8 1908/1907=72...(10) Violated in 4 structures by 0.02 A. Peak 2086 from nnoeabs.peaks (7.67, 8.04, 118.31 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 63 + H LYS 65 OK 95 100 100 95 3.7-4.4 384/1907=60, 377/2087=50...(7) HE ARG 118 + H ARG 118 OK 35 65 65 84 3.6-6.4 3.9/6875=32, 2.9/6899=32...(7) H GLU 21 - H ARG 118 far 0 64 0 - 7.4-9.7 H LEU 63 - H THR 9 far 0 79 0 - 8.7-9.8 Violated in 15 structures by 0.09 A. Peak 2087 from nnoeabs.peaks (4.11, 8.04, 118.31 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 62 + H LYS 65 OK 100 100 100 100 3.6-4.1 8103=97, 2093/1908=59...(7) HA ASP 110 - H THR 9 far 0 67 0 - 9.8-11.3 HB2 SER 72 - H LYS 65 far 0 70 0 - 9.9-12.0 Violated in 3 structures by 0.01 A. Peak 2088 from nnoeabs.peaks (3.72, 8.04, 118.31 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 61 + H LYS 65 OK 99 100 100 99 3.9-4.4 2083/1907=56...(11) HA LEU 114 + H ARG 118 OK 56 59 100 96 4.7-5.2 10515/4.3=54...(10) HA LYS 61 - H THR 9 far 0 79 0 - 6.5-7.8 HA LEU 114 - H THR 9 far 0 69 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2089 from nnoeabs.peaks (8.39, 8.04, 118.31 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.97: * H MET 67 + H LYS 65 OK 97 100 100 97 3.8-4.3 408/1908=72, 2097/3.6=59...(10) H LYS 123 - H ARG 118 far 0 64 0 - 7.9-8.7 Violated in 1 structures by 0.00 A. Peak 2090 from nnoeabs.peaks (3.91, 7.80, 119.36 ppm; 5.93 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + H GLU 66 OK 100 100 100 100 4.5-5.1 3.6/1908=96, 2097/408=94...(10) HB2 SER 35 - H GLU 66 far 4 87 5 - 7.4-9.9 HA LEU 38 - H GLU 66 far 0 99 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 2091 from nnoeabs.peaks (7.63, 7.80, 119.36 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 64 + H GLU 66 OK 100 100 100 100 4.2-4.8 2084=100, 1907/1908=96...(10) H GLU 69 + H GLU 66 OK 100 100 100 100 4.8-5.1 2107/2.9=100...(4) Violated in 0 structures by 0.00 A. Peak 2092 from nnoeabs.peaks (4.13, 7.80, 119.36 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 63 + H GLU 66 OK 100 100 100 100 3.3-4.0 8110=71, 8113/1435=55...(12) HB2 SER 72 - H GLU 66 far 0 87 0 - 9.4-11.4 HB3 SER 72 - H GLU 66 far 0 87 0 - 9.5-11.3 Violated in 4 structures by 0.02 A. Peak 2093 from nnoeabs.peaks (4.11, 7.80, 119.36 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.95: * HA GLN 62 + H GLU 66 OK 95 100 100 95 3.8-4.4 8108=80, 2087/1908=42...(5) HB2 SER 72 - H GLU 66 far 0 70 0 - 9.4-11.4 HB3 SER 72 - H GLU 66 far 0 70 0 - 9.5-11.3 Violated in 20 structures by 0.45 A. Peak 2094 from nnoeabs.peaks (8.47, 7.80, 119.36 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H GLU 66 OK 100 100 100 100 3.9-4.8 414/408=91, 2100/2.9=73...(9) Violated in 0 structures by 0.00 A. Peak 2095 from nnoeabs.peaks (3.79, 8.39, 118.40 ppm; 5.13 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 65 + H MET 67 OK 100 100 100 100 4.3-4.6 3.6/408=88, 3.0/2089=82...(10) HA LEU 68 + H MET 67 OK 76 77 100 99 5.1-5.4 3.0/414=94, 3.6/2106=50...(7) HB2 SER 58 - H MET 67 poor 16 81 20 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 2097 from nnoeabs.peaks (3.91, 8.39, 118.40 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 64 + H MET 67 OK 99 100 100 99 3.5-4.0 8118/1440=53, 8117=51...(14) HA LEU 38 - H MET 67 far 0 99 0 - 6.4-7.5 HB2 SER 35 - H MET 67 far 0 87 0 - 7.6-10.0 Violated in 0 structures by 0.00 A. Peak 2098 from nnoeabs.peaks (4.13, 8.39, 118.40 ppm; 5.68 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 63 + H MET 67 OK 100 100 100 100 3.6-4.3 2092/408=93, 8113/411=93...(16) HB2 SER 72 - H MET 67 far 0 87 0 - 8.4-10.6 HB3 SER 72 - H MET 67 far 0 87 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 2099 from nnoeabs.peaks (7.63, 8.39, 118.40 ppm; 6.08 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + H MET 67 OK 100 100 100 100 4.1-4.6 2106=100, 421/414=99...(9) H LEU 64 + H MET 67 OK 100 100 100 100 4.6-5.0 2.9/2097=98, 2084/408=89...(11) H ASP 34 - H MET 67 far 0 90 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2100 from nnoeabs.peaks (4.03, 8.47, 118.27 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.99: * HA GLU 66 + H LEU 68 OK 99 100 100 99 4.3-5.0 2107/421=84, 3.6/414=82...(5) Violated in 2 structures by 0.00 A. Peak 2101 from nnoeabs.peaks (7.80, 8.47, 118.27 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + H LEU 68 OK 100 100 100 100 3.9-4.8 2094=100, 408/414=100...(9) Violated in 0 structures by 0.00 A. Peak 2102 from nnoeabs.peaks (3.79, 8.47, 118.27 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.99: * HA LYS 65 + H LEU 68 OK 94 100 100 94 3.3-3.9 8129/421=44...(12) HA LEU 68 + H LEU 68 OK 77 77 100 100 2.7-2.8 3.0=100 HB2 SER 58 - H LEU 68 far 0 81 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 2103 from nnoeabs.peaks (3.91, 8.47, 118.27 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + H LEU 68 OK 100 100 100 100 3.7-4.1 2097/414=84, 8120/4.6=73...(10) HA LEU 38 - H LEU 68 far 0 99 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2104 from nnoeabs.peaks (7.72, 8.47, 118.27 ppm; 5.91 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + H LEU 68 OK 100 100 100 100 4.0-4.4 2111=100, 428/421=98...(7) H LYS 73 - H LEU 68 far 0 98 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 2105 from nnoeabs.peaks (3.95, 7.63, 118.68 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 67 + H GLU 69 OK 100 100 100 100 4.1-4.9 8137=100, 3.6/421=82...(8) HA ILE 97 - H GLU 69 far 0 92 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 2106 from nnoeabs.peaks (8.39, 7.63, 118.68 ppm; 5.96 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + H GLU 69 OK 100 100 100 100 4.1-4.6 414/421=98, 3.6/2107=97...(9) Violated in 0 structures by 0.00 A. Peak 2107 from nnoeabs.peaks (4.03, 7.63, 118.68 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.95: * HA GLU 66 + H GLU 69 OK 95 100 100 95 3.7-4.0 8131=81, 8133/1454=41...(7) HA LYS 40 - H ALA 46 far 0 70 0 - 6.5-7.0 HA3 GLY 101 - H GLU 69 far 0 70 0 - 8.5-11.0 HA3 GLY 75 - H ALA 46 far 0 51 0 - 9.8-12.9 Violated in 20 structures by 0.50 A. Peak 2108 from nnoeabs.peaks (3.79, 7.63, 118.68 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 65 + H GLU 69 OK 100 100 100 100 3.8-4.2 8129=100, 8125/423=50...(10) HA LEU 68 + H GLU 69 OK 77 77 100 100 3.5-3.6 3.6=100 HB2 SER 58 - H GLU 69 far 0 81 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2109 from nnoeabs.peaks (8.60, 7.63, 118.68 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 71 + H GLU 69 OK 99 100 100 99 4.0-4.3 1913/428=86, 2117/3.6=74...(8) H LYS 49 - H ALA 46 far 3 63 5 - 6.2-8.5 H ILE 71 - H ALA 46 far 0 72 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 2110 from nnoeabs.peaks (3.78, 7.72, 119.50 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 68 + H LEU 70 OK 100 100 100 100 3.9-4.5 3.6/428=89, 2117/1913=78...(7) HA LYS 65 + H LEU 70 OK 55 77 95 75 6.2-6.8 8129/428=62, 8124/2111=34 Violated in 0 structures by 0.00 A. Peak 2111 from nnoeabs.peaks (8.47, 7.72, 119.50 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H LEU 70 OK 100 100 100 100 4.0-4.4 421/428=91, 3.6/2112=79...(7) Violated in 0 structures by 0.00 A. Peak 2112 from nnoeabs.peaks (3.95, 7.72, 119.50 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 67 + H LEU 70 OK 100 100 100 100 3.3-3.9 8138=70, 8141/1461=54...(12) HA ILE 97 - H LEU 70 far 0 92 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 2114 from nnoeabs.peaks (8.02, 7.72, 119.50 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.99: * H SER 72 + H LEU 70 OK 99 100 100 99 3.7-4.5 441/1913=79, 2122/3.6=75...(11) H LYS 65 - H LEU 70 far 0 77 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 2117 from nnoeabs.peaks (3.78, 8.60, 116.79 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 68 + H ILE 71 OK 100 100 100 100 3.2-3.4 8145=72, 8146/1467=59...(11) HA LYS 65 - H ILE 71 far 0 77 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 2118 from nnoeabs.peaks (3.95, 8.60, 116.79 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 67 + H ILE 71 OK 100 100 100 100 4.0-4.8 8143=100, 2112/1913=86...(11) HA ILE 97 - H ILE 71 far 0 92 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2122 from nnoeabs.peaks (4.05, 8.02, 116.52 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.97: * HA GLU 69 + H SER 72 OK 97 100 100 97 3.2-3.7 8150=74, 2127/448=41...(8) Violated in 0 structures by 0.00 A. Peak 2123 from nnoeabs.peaks (3.78, 8.02, 116.52 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 68 + H SER 72 OK 99 100 100 99 3.7-4.8 2117/441=70, 8146/4.5=62...(10) HA LYS 65 - H SER 72 far 0 77 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 2124 from nnoeabs.peaks (3.74, 7.72, 120.73 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 71 + H LYS 73 OK 100 100 100 100 3.8-4.4 3.6/448=89, 9790/452=76...(15) HA2 GLY 101 - H LYS 73 far 0 77 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 2125 from nnoeabs.peaks (8.60, 7.72, 120.73 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + H LYS 73 OK 100 100 100 100 4.0-4.2 441/448=84, 3.6/2126=82...(12) Violated in 0 structures by 0.00 A. Peak 2126 from nnoeabs.peaks (4.16, 7.72, 120.73 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.94: * HA LEU 70 + H LYS 73 OK 94 100 100 94 3.5-3.9 8157=50, 3.6/2125=36...(10) Violated in 0 structures by 0.00 A. Peak 2127 from nnoeabs.peaks (4.05, 7.72, 120.73 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.91: * HA GLU 69 + H LYS 73 OK 91 100 100 91 3.5-5.4 2122/448=64, 8151/4.6=34...(6) Violated in 8 structures by 0.17 A. Peak 2129 from nnoeabs.peaks (8.05, 8.53, 118.84 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 90 + H ASN 88 OK 98 100 100 98 3.9-4.7 1932/1931=89...(7) Violated in 0 structures by 0.00 A. Peak 2130 from nnoeabs.peaks (4.04, 8.22, 120.95 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 87 + H GLU 89 OK 100 100 100 100 4.0-4.8 3.6/1931=94...(8) HA GLU 92 - H GLU 89 far 10 100 10 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 2131 from nnoeabs.peaks (8.64, 8.22, 120.95 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + H GLU 89 OK 100 100 100 100 3.5-4.6 548/1931=91...(8) Violated in 0 structures by 0.00 A. Peak 2132 from nnoeabs.peaks (7.94, 8.22, 120.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + H GLU 89 OK 100 100 100 100 4.0-4.9 2138=100, 566/1932=99...(9) Violated in 0 structures by 0.00 A. Peak 2135 from nnoeabs.peaks (4.04, 8.05, 119.58 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 87 + H LEU 90 OK 100 100 100 100 3.0-3.9 8164=100, 8165/1592=83...(10) HA GLU 92 - H LEU 90 poor 13 100 25 54 6.8-7.2 4.0/564=23, ~8185=21...(4) Violated in 0 structures by 0.00 A. Peak 2137 from nnoeabs.peaks (4.15, 7.94, 119.03 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 89 + H GLU 91 OK 100 100 100 100 4.1-5.0 8177=100, 7752/566=88...(7) HA ARG 95 - H GLU 91 far 0 100 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 2138 from nnoeabs.peaks (8.22, 7.94, 119.03 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 89 + H GLU 91 OK 100 100 100 100 4.0-4.9 1932/566=85, 3.0/8177=75...(7) H ASP 84 - H GLU 91 far 0 73 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 2139 from nnoeabs.peaks (4.56, 7.94, 119.03 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + H GLU 91 OK 100 100 100 100 3.9-4.6 8171=100, 8172/1599=87...(6) Violated in 0 structures by 0.00 A. Peak 2144 from nnoeabs.peaks (4.15, 8.09, 118.67 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 89 + H GLU 92 OK 100 100 100 100 3.5-4.0 8178=73, 8180/4.0=66...(8) HA ARG 95 - H GLU 92 far 0 100 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 2145 from nnoeabs.peaks (4.56, 8.09, 118.67 ppm; 5.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + H GLU 92 OK 100 100 100 100 3.8-5.6 8174/7765=96...(4) Violated in 0 structures by 0.00 A. Peak 2146 from nnoeabs.peaks (8.61, 8.09, 118.67 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 94 + H GLU 92 OK 99 100 100 99 3.9-4.3 2154/574=84, 1936/4.6=78...(8) Violated in 0 structures by 0.00 A. Peak 2149 from nnoeabs.peaks (4.21, 8.10, 120.12 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.95: * HA LEU 90 + H PHE 93 OK 95 100 100 95 3.7-4.3 8185=61, 8188/1612=52...(5) Violated in 0 structures by 0.00 A. Peak 2154 from nnoeabs.peaks (4.07, 8.61, 118.94 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + H LYS 94 OK 100 100 100 100 3.1-3.6 8192=96, 8195/1620=49...(11) HA LYS 96 - H LYS 94 far 0 96 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 2155 from nnoeabs.peaks (4.21, 8.61, 118.94 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + H LYS 94 OK 100 100 100 100 3.9-4.7 2149/1936=83...(8) Violated in 0 structures by 0.00 A. Peak 2156 from nnoeabs.peaks (7.79, 8.61, 118.94 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + H LYS 94 OK 100 100 100 100 3.8-4.2 2163=100, 1938/1937=99...(7) Violated in 0 structures by 0.00 A. Peak 2157 from nnoeabs.peaks (4.34, 8.16, 117.19 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H ARG 95 OK 100 100 100 100 4.5-5.0 8205=100, 3.6/1937=98...(10) HA GLU 98 + H ARG 95 OK 99 99 100 100 6.2-7.6 ~8219=72, ~8220=71...(11) HA SER 99 - H ARG 95 far 5 100 5 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 2159 from nnoeabs.peaks (4.03, 8.16, 117.19 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.98: * HA GLU 92 + H ARG 95 OK 98 100 100 98 3.7-4.3 8199=85, 8203/6031=50...(9) HA GLU 87 - H ARG 95 far 0 100 0 - 9.1-10.4 Violated in 15 structures by 0.14 A. Peak 2163 from nnoeabs.peaks (8.61, 7.79, 119.58 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H LYS 96 OK 100 100 100 100 3.8-4.2 2156=100, 1937/1938=99...(7) Violated in 0 structures by 0.00 A. Peak 2164 from nnoeabs.peaks (4.34, 7.79, 119.58 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H LYS 96 OK 100 100 100 100 3.3-3.7 8206=100, 8210/6091=90...(11) HA GLU 98 + H LYS 96 OK 67 99 75 89 6.2-7.0 3.0/2173=81...(4) HA SER 99 - H LYS 96 far 0 100 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 2169 from nnoeabs.peaks (3.62, 7.83, 118.55 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + H ILE 97 OK 100 100 100 100 3.7-4.1 8213=100, 8214/1647=73...(9) Violated in 0 structures by 0.00 A. Peak 2170 from nnoeabs.peaks (4.34, 7.83, 118.55 ppm; 6.20 A): 3 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H ILE 97 OK 100 100 100 100 3.5-4.9 8211=100, 8208/7796=99...(13) HA GLU 98 + H ILE 97 OK 99 99 100 100 4.9-5.5 3.0/621=100...(9) HA SER 99 + H ILE 97 OK 94 100 100 94 6.9-7.3 2.9/2177=74, ~2176=49...(5) Violated in 0 structures by 0.00 A. Peak 2171 from nnoeabs.peaks (8.10, 7.83, 118.55 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * H SER 99 + H ILE 97 OK 100 100 100 100 4.1-4.6 2177=100, 628/621=96...(10) H PHE 93 + H ILE 97 OK 92 99 100 92 5.9-6.9 3.0/8211=92 H GLU 92 - H ILE 97 far 0 90 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 2173 from nnoeabs.peaks (7.79, 8.67, 121.98 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.95: * H LYS 96 + H GLU 98 OK 95 100 100 95 3.5-4.4 1939/621=82, 3.6/2174=59...(4) Violated in 0 structures by 0.00 A. Peak 2174 from nnoeabs.peaks (4.15, 8.67, 121.98 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: * HA ARG 95 + H GLU 98 OK 99 100 100 99 3.4-4.1 11702=70, 8219/1654=69...(7) Violated in 0 structures by 0.00 A. Peak 2175 from nnoeabs.peaks (3.62, 8.67, 121.98 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + H GLU 98 OK 100 100 100 100 3.2-4.2 8214/623=88, 8213/621=84...(10) Violated in 0 structures by 0.00 A. Peak 2176 from nnoeabs.peaks (3.94, 8.10, 115.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + H SER 99 OK 100 100 100 100 4.0-5.0 3.6/628=96, 3.0/2177=74...(9) Violated in 0 structures by 0.00 A. Peak 2177 from nnoeabs.peaks (7.83, 8.10, 115.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + H SER 99 OK 100 100 100 100 4.1-4.6 621/628=96, 3.6/2178=95...(10) Violated in 0 structures by 0.00 A. Peak 2178 from nnoeabs.peaks (4.07, 8.10, 115.50 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.86: * HA LYS 96 + H SER 99 OK 86 100 100 86 3.5-4.5 8225=47, 8226/4.0=34...(6) HA GLU 91 - H SER 99 far 0 96 0 - 8.8-9.7 Violated in 11 structures by 0.12 A. Peak 2179 from nnoeabs.peaks (4.15, 8.10, 115.50 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 95 + H SER 99 OK 100 100 100 100 3.3-4.2 8223=100, 8219/630=76...(6) Violated in 0 structures by 0.00 A. Peak 2180 from nnoeabs.peaks (8.23, 8.70, 122.85 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.95: * H GLU 112 + H ASP 110 OK 95 100 100 95 3.8-4.6 10402/698=41, 2183=38...(12) Violated in 20 structures by 0.66 A. Peak 2183 from nnoeabs.peaks (8.70, 8.23, 121.40 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + H GLU 112 OK 100 100 100 100 3.8-4.6 2180=100, 698/10402=72...(13) Violated in 0 structures by 0.00 A. Peak 2184 from nnoeabs.peaks (7.74, 8.23, 121.40 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + H GLU 112 OK 100 100 100 100 4.1-4.7 2190=100, 715/709=90...(12) Violated in 0 structures by 0.00 A. Peak 2187 from nnoeabs.peaks (4.09, 8.12, 120.32 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 110 + H ALA 113 OK 100 100 100 100 3.4-4.0 8232=85, 8233/1741=78...(11) HA ASP 110 - H VAL 117 far 0 97 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 2188 from nnoeabs.peaks (7.62, 8.12, 120.32 ppm; 4.36 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 115 + H ALA 113 OK 100 100 100 100 3.6-4.2 718/715=75, 8244/3.6=61...(18) H LYS 115 + H VAL 117 OK 96 97 100 98 3.8-4.0 1958/735=72, 2198=49...(13) HE ARG 105 - H ALA 113 far 0 65 0 - 7.0-12.6 HE ARG 105 - H VAL 117 far 0 60 0 - 7.9-10.7 HE21 GLN 85 - H ALA 113 far 0 97 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 2190 from nnoeabs.peaks (8.23, 7.74, 116.90 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 112 + H LEU 114 OK 100 100 100 100 4.1-4.7 709/715=84, 2184=82...(12) H ILE 15 - H LEU 114 far 0 99 0 - 8.3-9.7 Violated in 1 structures by 0.00 A. Peak 2191 from nnoeabs.peaks (3.99, 7.74, 116.90 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 111 + H LEU 114 OK 100 100 100 100 3.1-3.9 8237=86, 8238/1744=59...(14) HA GLU 112 + H LEU 114 OK 91 94 100 96 4.0-4.9 3.6/715=56, 8244/718=46...(15) HA LEU 14 - H LEU 114 far 15 100 15 - 5.2-6.4 HA LYS 17 - H LEU 114 far 0 99 0 - 7.3-9.6 Violated in 0 structures by 0.00 A. Peak 2193 from nnoeabs.peaks (8.00, 7.74, 116.90 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + H LEU 114 OK 100 100 100 100 4.0-4.6 1958/718=89, 2200=66...(16) Violated in 0 structures by 0.00 A. Peak 2195 from nnoeabs.peaks (8.12, 7.62, 119.07 ppm; 4.17 A): 3 out of 3 assignments used, quality = 1.00: * H ALA 113 + H LYS 115 OK 99 100 100 99 3.6-4.2 715/718=70, 3.6/8244=57...(18) H VAL 117 + H LYS 115 OK 98 100 100 98 3.8-4.0 735/1958=72, 2206/3.6=47...(13) H SER 99 + H GLN 100 OK 29 34 100 87 2.3-2.9 4.6=73, 6241/4.5=14...(8) Violated in 0 structures by 0.00 A. Peak 2196 from nnoeabs.peaks (4.00, 7.62, 119.07 ppm; 3.44 A): 4 out of 7 assignments used, quality = 1.00: * HA GLU 112 + H LYS 115 OK 96 100 100 96 3.2-3.8 8244=64, 8249/1958=29...(17) HA GLU 111 + H LYS 115 OK 77 94 90 91 4.1-5.1 8237/718=38, 8238/4.3=32...(16) HB3 SER 99 + H GLN 100 OK 48 67 100 72 3.0-4.2 4.5=45, 4.0/1942=32, 6235/3.6=25 HB2 SER 99 + H GLN 100 OK 48 67 100 72 3.0-4.4 4.5=45, 4.0/1942=32, 6235/3.6=25 HA3 GLY 101 - H GLN 100 far 0 52 0 - 4.9-5.6 HA LEU 14 - H LYS 115 far 0 87 0 - 7.4-8.8 HA LYS 17 - H LYS 115 far 0 99 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 2198 from nnoeabs.peaks (8.12, 7.62, 119.07 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: H ALA 113 + H LYS 115 OK 99 100 100 99 3.6-4.2 715/718=70, 3.6/8244=56...(18) * H VAL 117 + H LYS 115 OK 98 100 100 98 3.8-4.0 735/1958=72, 2206/3.6=47...(13) Violated in 0 structures by 0.00 A. Peak 2200 from nnoeabs.peaks (7.74, 8.00, 120.61 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + H ILE 116 OK 100 100 100 100 4.0-4.6 2193=100, 718/1958=98...(16) Violated in 0 structures by 0.00 A. Peak 2201 from nnoeabs.peaks (3.80, 8.00, 120.61 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 115 + H ILE 116 OK 100 100 100 100 3.5-3.6 3.6=100 * HA ALA 113 + H ILE 116 OK 99 100 100 99 3.3-3.7 8252/1761=50...(16) Violated in 0 structures by 0.00 A. Peak 2202 from nnoeabs.peaks (4.00, 8.00, 120.61 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 112 + H ILE 116 OK 100 100 100 100 3.7-4.6 8249=100, 8244/1958=84...(13) HA GLU 111 + H ILE 116 OK 28 94 35 86 6.4-7.3 8237/2193=56...(9) HA LEU 14 - H ILE 116 far 0 87 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 2205 from nnoeabs.peaks (7.62, 8.12, 120.23 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 115 + H VAL 117 OK 99 100 100 99 3.8-4.0 1958/735=83, 3.6/2206=56...(13) H LYS 115 + H ALA 113 OK 97 97 100 100 3.6-4.2 718/715=81, 8244/3.6=67...(18) HE ARG 105 - H ALA 113 far 0 60 0 - 7.0-12.6 HE ARG 105 - H VAL 117 far 0 65 0 - 7.9-10.7 HE21 GLN 85 - H ALA 113 far 0 92 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 2206 from nnoeabs.peaks (3.71, 8.12, 120.23 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.97: * HA LEU 114 + H VAL 117 OK 96 100 100 96 3.7-4.0 8258/1768=58...(10) HA LEU 114 + H ALA 113 OK 23 97 25 96 5.0-5.5 3.0/715=66, 10427/2.9=37...(13) Violated in 13 structures by 0.04 A. Peak 2207 from nnoeabs.peaks (3.80, 8.12, 120.23 ppm; 3.78 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 113 + H ALA 113 OK 97 97 100 100 2.7-2.9 3.0=100 HA LYS 115 + H VAL 117 OK 97 100 100 97 3.7-4.0 3.6/735=58, 8261/742=53...(14) * HA ALA 113 + H VAL 117 OK 94 100 100 94 4.5-5.0 8252/737=45, 6651=40...(12) HA LYS 115 - H ALA 113 far 0 97 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 2208 from nnoeabs.peaks (7.92, 8.12, 120.23 ppm; 5.94 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 119 + H VAL 117 OK 100 100 100 100 3.8-4.1 2215=100, 747/742=98...(9) H GLU 119 - H ALA 113 far 0 97 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 2209 from nnoeabs.peaks (3.46, 8.03, 118.42 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + H ARG 118 OK 100 100 100 100 4.6-5.0 3.6/742=99, 2216/747=98...(5) Violated in 0 structures by 0.00 A. Peak 2211 from nnoeabs.peaks (3.80, 8.03, 118.42 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 115 + H ARG 118 OK 100 100 100 100 3.1-3.4 8261=97, 8264/1774=56...(13) HA LYS 65 + H LYS 65 OK 64 64 100 100 2.7-2.9 3.0=100 HA ALA 113 - H ARG 118 far 0 100 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 2212 from nnoeabs.peaks (3.71, 8.03, 118.42 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 114 + H ARG 118 OK 99 100 100 99 4.7-5.2 10515/745=74...(10) HA LYS 61 + H LYS 65 OK 57 59 100 96 3.9-4.4 8097/4.2=51, 8100/4.2=48...(10) Violated in 0 structures by 0.00 A. Peak 2213 from nnoeabs.peaks (8.83, 8.03, 118.42 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 120 + H ARG 118 OK 100 100 100 100 4.4-4.6 2220=87, 1962/747=78...(6) H SER 58 - H LYS 65 far 0 42 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 2214 from nnoeabs.peaks (3.26, 7.92, 122.42 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + H GLU 119 OK 100 100 100 100 3.7-4.4 8274=100, 3.6/747=99...(8) Violated in 0 structures by 0.00 A. Peak 2215 from nnoeabs.peaks (8.12, 7.92, 122.42 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 117 + H GLU 119 OK 99 100 100 99 3.8-4.1 742/747=74, 3.6/2216=68...(9) H ALA 113 - H GLU 119 far 0 100 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 2216 from nnoeabs.peaks (3.46, 7.92, 122.42 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.96: * HA ILE 116 + H GLU 119 OK 96 100 100 96 3.7-4.0 8268=50, 3.6/2215=39...(10) Violated in 19 structures by 0.14 A. Peak 2217 from nnoeabs.peaks (3.80, 7.92, 122.42 ppm; 6.15 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 115 + H GLU 119 OK 100 100 100 100 4.4-5.1 8266=100, 8264/750=99...(8) HA ALA 113 - H GLU 119 far 0 100 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 2218 from nnoeabs.peaks (8.32, 7.92, 122.42 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + H GLU 119 OK 100 100 100 100 4.0-4.6 761/1962=91, 2226/3.6=85...(5) Violated in 0 structures by 0.00 A. Peak 2220 from nnoeabs.peaks (8.03, 8.83, 119.60 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 118 + H PHE 120 OK 100 100 100 100 4.4-4.6 2213=100, 747/1962=82...(6) Violated in 0 structures by 0.00 A. Peak 2221 from nnoeabs.peaks (3.26, 8.83, 119.60 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + H PHE 120 OK 100 100 100 100 3.2-3.5 8275=63, 8276/1787=60...(13) Violated in 0 structures by 0.00 A. Peak 2222 from nnoeabs.peaks (3.46, 8.83, 119.60 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + H PHE 120 OK 100 100 100 100 4.6-5.4 8273=100, 2216/1962=98...(8) Violated in 0 structures by 0.00 A. Peak 2223 from nnoeabs.peaks (8.05, 8.83, 119.60 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.99: * H GLN 122 + H PHE 120 OK 99 100 100 99 4.2-4.6 1964/761=85, 2230=64...(5) Violated in 0 structures by 0.00 A. Peak 2225 from nnoeabs.peaks (7.92, 8.32, 116.60 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + H MET 121 OK 100 100 100 100 4.0-4.6 2218=100, 1962/761=97...(5) Violated in 0 structures by 0.00 A. Peak 2226 from nnoeabs.peaks (3.89, 8.32, 116.60 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.99: * HA ARG 118 + H MET 121 OK 99 100 100 99 3.3-3.8 8282=82, 11516/1799=59...(7) Violated in 0 structures by 0.00 A. Peak 2227 from nnoeabs.peaks (3.26, 8.32, 116.60 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 117 + H MET 121 OK 99 100 100 99 4.0-5.0 8276/763=69, 2221/761=62...(9) Violated in 14 structures by 0.08 A. Peak 2228 from nnoeabs.peaks (8.40, 8.32, 116.60 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + H MET 121 OK 100 100 100 100 4.3-4.6 2235=100, 1965/1964=88...(6) Violated in 0 structures by 0.00 A. Peak 2230 from nnoeabs.peaks (8.83, 8.05, 120.56 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + H GLN 122 OK 100 100 100 100 4.2-4.6 2223=100, 761/1964=96...(5) Violated in 0 structures by 0.00 A. Peak 2231 from nnoeabs.peaks (4.03, 8.05, 120.56 ppm; 3.93 A): 3 out of 5 assignments used, quality = 1.00: * HA GLU 119 + H GLN 122 OK 96 100 100 96 3.4-3.9 8289=73, 10605/7059=38...(9) HA LYS 123 + H GLN 122 OK 93 100 100 93 5.2-5.4 3.0/1965=68, 3.6/2233=36...(8) HA PHE 120 + H GLN 122 OK 88 99 100 89 4.1-4.8 3.6/1964=57, 3.0/2223=36...(9) HB2 SER 126 - H GLN 122 far 0 99 0 - 7.2-9.7 HB3 SER 126 - H GLN 122 far 0 100 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 2233 from nnoeabs.peaks (8.60, 8.05, 120.56 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + H GLN 122 OK 100 100 100 100 4.1-4.5 784/1965=86, 8307/3.0=77...(9) Violated in 0 structures by 0.00 A. Peak 2235 from nnoeabs.peaks (8.32, 8.40, 121.61 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.97: * H MET 121 + H LYS 123 OK 97 100 100 97 4.3-4.6 1964/1965=73, 2228=64...(6) Violated in 6 structures by 0.02 A. Peak 2236 from nnoeabs.peaks (4.02, 8.40, 121.61 ppm; 4.36 A): 3 out of 5 assignments used, quality = 1.00: HA LYS 123 + H LYS 123 OK 100 100 100 100 2.7-2.7 3.0=100 * HA PHE 120 + H LYS 123 OK 99 100 100 99 3.4-3.9 8297/1810=59, 8296=58...(11) HA GLU 119 + H LYS 123 OK 88 99 100 89 3.9-4.5 8289/1965=46...(11) HB3 SER 126 - H LYS 123 far 14 96 15 - 5.7-8.3 HB2 SER 126 - H LYS 123 lone 4 100 35 11 5.2-7.7 785/784=7, 7108/1813=2 Violated in 0 structures by 0.00 A. Peak 2238 from nnoeabs.peaks (7.95, 8.40, 121.61 ppm; 5.91 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 125 + H LYS 123 OK 100 100 100 100 3.9-4.2 1967/784=94, 2245=86...(4) Violated in 0 structures by 0.00 A. Peak 2240 from nnoeabs.peaks (8.05, 8.60, 121.87 ppm; 6.09 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 122 + H ALA 124 OK 100 100 100 100 4.1-4.5 2233=100, 1965/784=98...(9) H HIS 131 - H ALA 124 far 0 99 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 2241 from nnoeabs.peaks (3.93, 8.60, 121.87 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.99: * HA MET 121 + H ALA 124 OK 99 100 100 99 3.8-4.3 8304/2.9=89, 8303=67...(5) Violated in 0 structures by 0.00 A. Peak 2245 from nnoeabs.peaks (8.40, 7.95, 104.75 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + H GLY 125 OK 100 100 100 100 3.9-4.2 2238=100, 784/1967=97...(4) Violated in 0 structures by 0.00 A. Peak 2246 from nnoeabs.peaks (4.13, 7.95, 104.75 ppm; 3.84 A): 2 out of 4 assignments used, quality = 0.99: HA ALA 124 + H GLY 125 OK 94 94 100 100 3.5-3.5 3.6=100 * HA GLN 122 + H GLY 125 OK 85 100 100 85 3.3-3.4 8308=60, 8307/1967=39...(4) HA MET 1 - H GLY 125 far 0 70 0 - 8.8-13.1 HA3 GLY 26 - H GLY 125 far 0 94 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 2250 from nnoeabs.peaks (8.60, 7.86, 116.08 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + H SER 126 OK 100 100 100 100 4.0-4.5 1967/797=94, 3.0/8317=88...(9) Violated in 0 structures by 0.00 A. Peak 2251 from nnoeabs.peaks (4.03, 7.86, 116.08 ppm; 2.98 A): 3 out of 5 assignments used, quality = 0.97: HB2 SER 126 + H SER 126 OK 80 100 100 81 2.2-3.6 4.0=41, 1.8/7177=29...(7) HB3 SER 126 + H SER 126 OK 80 99 100 81 2.3-3.6 4.0=41, 1.8/7173=29...(8) * HA LYS 123 + H SER 126 OK 37 100 100 37 3.4-4.2 8311=20, 3.6/2250=11...(4) HA PHE 120 - H SER 126 far 0 100 0 - 7.5-8.1 HA GLU 119 - H SER 126 far 0 100 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 2252 from nnoeabs.peaks (4.13, 7.86, 116.08 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.96: HA ALA 124 + H SER 126 OK 91 94 100 97 3.4-3.9 3.6/797=56, 2257/800=53...(8) * HA GLN 122 + H SER 126 OK 58 100 100 58 4.7-5.5 8308/797=44, 8307/2250=24 HA MET 1 - H SER 126 far 0 70 0 - 9.1-13.0 Violated in 0 structures by 0.00 A. Peak 2253 from nnoeabs.peaks (8.08, 7.86, 116.08 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H SER 126 OK 100 100 100 100 3.7-4.4 1970/800=100...(9) Violated in 0 structures by 0.00 A. Peak 2255 from nnoeabs.peaks (4.06, 7.88, 122.37 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.95: * HA3 GLY 125 + H LEU 127 OK 83 100 100 83 4.6-4.9 3.6/800=73, 2263/804=25 HA2 GLY 125 + H LEU 127 OK 73 90 100 82 3.8-4.8 3.6/800=73, 2263/804=24 Violated in 12 structures by 0.05 A. Peak 2257 from nnoeabs.peaks (4.14, 7.88, 122.37 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 124 + H LEU 127 OK 100 100 100 100 3.0-3.8 8318=72, 10653/1834=56...(8) HA GLN 122 - H LEU 127 far 0 94 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 2260 from nnoeabs.peaks (4.45, 8.08, 119.78 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 126 + H GLU 128 OK 100 100 100 100 4.0-4.6 8331=100, 3.6/804=95...(7) Violated in 0 structures by 0.00 A. Peak 2262 from nnoeabs.peaks (4.05, 8.08, 119.78 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.96: * HA2 GLY 125 + H GLU 128 OK 85 100 100 85 3.0-3.9 8329/1838=46...(7) HA3 GLY 125 + H GLU 128 OK 69 90 100 78 4.4-5.1 3.6/2253=29, 2255/804=24...(7) Violated in 0 structures by 0.00 A. Peak 2263 from nnoeabs.peaks (4.06, 8.08, 119.78 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.95: * HA3 GLY 125 + H GLU 128 OK 78 100 100 78 4.4-5.1 2255/804=31, 3.6/2253=29...(7) HA2 GLY 125 + H GLU 128 OK 75 90 100 84 3.0-3.9 8329/1838=41...(7) Violated in 0 structures by 0.00 A. Peak 2264 from nnoeabs.peaks (4.14, 8.08, 119.78 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.99: * HA ALA 124 + H GLU 128 OK 99 100 100 99 4.0-5.4 10630/1837=60...(8) HA GLN 122 - H GLU 128 far 0 94 0 - 7.8-8.6 Violated in 14 structures by 0.32 A. Peak 9033 from nnoeabs.peaks (8.38, 9.08, 127.78 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.88: H PHE 79 + H LEU 4 OK 88 90 100 98 4.6-5.6 3.6/9041=70, 9891=65...(7) Violated in 18 structures by 0.39 A. Peak 9034 from nnoeabs.peaks (8.30, 9.08, 127.78 ppm; 5.61 A): 1 out of 3 assignments used, quality = 0.65: H LYS 77 + H LEU 4 OK 65 81 100 80 4.1-5.1 9846=68, 9856/4.4=38 H MET 121 - H LEU 4 far 0 84 0 - 8.9-10.5 H GLU 103 - H LEU 4 far 0 81 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 9041 from nnoeabs.peaks (5.17, 9.08, 127.78 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.98: * HA VAL 78 + H LEU 4 OK 98 100 100 98 3.0-3.8 9889=78, 3.2/10665=53...(11) Violated in 0 structures by 0.00 A. Peak 9057 from nnoeabs.peaks (5.64, 8.77, 123.01 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + H ILE 5 OK 100 100 100 100 2.4-3.4 9525=100, 9501/3.9=58...(9) Violated in 0 structures by 0.00 A. Peak 9065 from nnoeabs.peaks (5.55, 9.23, 129.32 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.96: * HA LEU 80 + H LEU 6 OK 96 100 100 96 3.5-4.1 9939=71, 504/9071=46...(7) Violated in 4 structures by 0.02 A. Peak 9066 from nnoeabs.peaks (2.06, 9.23, 129.32 ppm; 5.45 A): 1 out of 4 assignments used, quality = 0.76: HB3 PHE 79 + H LEU 6 OK 76 81 100 94 3.5-5.1 4.0/9070=72, 9896/3.6=49...(5) HB3 MET 67 - H LEU 6 far 0 87 0 - 8.2-9.6 HB VAL 117 - H LEU 6 far 0 81 0 - 8.4-9.4 HB3 MET 121 - H LEU 6 far 0 73 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 9070 from nnoeabs.peaks (8.37, 9.23, 129.32 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: H PHE 79 + H LEU 6 OK 100 100 100 100 2.5-3.1 9892=95, 9894/16=65...(10) Violated in 0 structures by 0.00 A. Peak 9071 from nnoeabs.peaks (9.06, 9.23, 129.32 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.97: H LEU 81 + H LEU 6 OK 97 100 100 97 4.5-5.6 504/9065=77, 9941=65...(7) H LEU 4 - H LEU 6 far 3 61 5 - 6.2-6.9 Violated in 18 structures by 0.37 A. Peak 9078 from nnoeabs.peaks (4.91, 8.93, 120.75 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.93: HA ILE 57 + H ILE 7 OK 93 100 100 93 2.8-4.2 9080/1051=54...(10) HA LEU 82 - H ILE 7 far 0 100 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 9086 from nnoeabs.peaks (9.20, 8.93, 120.75 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.70: H ILE 56 + H ILE 7 OK 70 73 100 96 4.4-5.5 9530=65, 11559/11612=50...(7) Violated in 16 structures by 0.24 A. Peak 9090 from nnoeabs.peaks (8.45, 8.63, 125.54 ppm; 5.90 A): 2 out of 3 assignments used, quality = 0.93: H GLN 83 + H ASN 8 OK 87 87 100 100 4.7-6.0 3.6/9094=88, 9989=81...(5) H ASN 10 + H ASN 8 OK 51 94 100 54 7.1-7.3 1858/4.6=39, 9092/4.0=23 H VAL 32 - H ASN 8 far 0 96 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 9093 from nnoeabs.peaks (8.05, 7.37, 107.51 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.95: H THR 9 + HD21 ASN 8 OK 95 96 100 100 3.2-5.6 40=94, 37/823=68...(7) H LYS 65 - HD21 ASN 8 poor 16 81 20 - 4.3-8.2 Violated in 1 structures by 0.06 A. Peak 9094 from nnoeabs.peaks (4.91, 8.63, 125.54 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.98: * HA LEU 82 + H ASN 8 OK 98 100 100 98 2.6-4.0 10673=69, 518/9989=56...(7) HA ILE 57 - H ASN 8 far 15 100 15 - 5.5-6.8 HA ARG 105 - H ASN 8 far 0 99 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 9096 from nnoeabs.peaks (4.71, 7.37, 107.51 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.88: HA ASN 59 + HD21 ASN 8 OK 88 99 100 89 2.7-6.2 9097/1.7=76...(3) HA ASN 11 - HD21 ASN 8 far 0 81 0 - 9.5-12.5 Violated in 2 structures by 0.14 A. Peak 9097 from nnoeabs.peaks (4.71, 6.25, 107.51 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.89: HA ASN 59 + HD22 ASN 8 OK 89 100 100 89 3.0-5.5 9096/1.7=79...(3) HA ASN 11 - HD22 ASN 8 far 0 61 0 - 9.5-11.6 Violated in 2 structures by 0.06 A. Peak 9098 from nnoeabs.peaks (0.82, 8.63, 125.54 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 82 + H ASN 8 OK 95 100 100 95 3.3-5.4 9971/1058=51...(9) QD1 LEU 64 + H ASN 8 OK 34 90 50 77 3.0-6.0 11688/3.0=42...(7) QG2 ILE 57 - H ASN 8 poor 13 77 45 36 4.8-6.8 9579/4.6=22, 9567/3.6=10...(5) QG2 ILE 5 - H ASN 8 far 0 73 0 - 6.0-6.8 QD1 LEU 114 - H ASN 8 far 0 57 0 - 9.9-11.4 Violated in 1 structures by 0.05 A. Peak 9106 from nnoeabs.peaks (0.81, 7.37, 107.51 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 64 + HD21 ASN 8 OK 95 97 100 98 2.6-5.2 9104/3.5=64...(7) QD2 LEU 82 + HD21 ASN 8 OK 46 65 90 78 2.4-7.8 9971/3.5=35, 9970/3.5=33...(6) QD1 LEU 81 - HD21 ASN 8 far 0 65 0 - 8.1-9.8 Violated in 1 structures by 0.00 A. Peak 9107 from nnoeabs.peaks (0.81, 6.25, 107.51 ppm; 4.59 A): 2 out of 3 assignments used, quality = 0.98: QD1 LEU 64 + HD22 ASN 8 OK 96 97 100 99 3.5-5.2 9104/3.5=74...(8) QD2 LEU 82 + HD22 ASN 8 OK 49 65 90 84 3.5-7.7 9971/3.5=41, 9970/3.5=38...(6) QD1 LEU 81 - HD22 ASN 8 far 0 65 0 - 9.5-10.6 Violated in 1 structures by 0.00 A. Peak 9127 from nnoeabs.peaks (8.81, 8.04, 118.49 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.92: H SER 58 + H THR 9 OK 92 100 100 93 3.7-4.8 9585=67, 9589/37=59, 348/9579=46 H ASN 59 - H THR 9 poor 16 61 50 53 5.2-6.3 4.6/9585=36, 9091/37=15 H SER 58 - H LYS 65 far 0 78 0 - 8.2-9.3 H ASN 59 - H LYS 65 far 0 41 0 - 8.4-9.2 Violated in 14 structures by 0.21 A. Peak 9128 from nnoeabs.peaks (6.19, 8.44, 123.27 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.78: HG1 THR 9 + H ASN 10 OK 78 81 100 96 2.1-3.8 9132/46=57, 4.1/43=50...(9) Violated in 1 structures by 0.00 A. Peak 9129 from nnoeabs.peaks (0.76, 8.44, 123.27 ppm; 4.57 A): 2 out of 8 assignments used, quality = 0.98: QD2 LEU 14 + H ASN 10 OK 90 100 100 90 4.2-5.4 11006/9128=45...(7) QD1 ILE 15 + H ASN 10 OK 77 100 85 91 5.0-6.4 9175/3.0=69, 9171/46=55...(5) QG2 ILE 7 - H ASN 10 poor 12 61 20 - 5.9-6.5 QG1 VAL 107 - H ASN 10 far 0 100 0 - 6.1-7.8 QD1 LEU 82 - H ASN 10 far 0 77 0 - 7.7-9.2 QD1 LEU 80 - H ASN 10 far 0 87 0 - 8.1-11.0 QD2 LEU 80 - H ASN 10 far 0 84 0 - 8.5-11.3 QD1 ILE 7 - H ASN 10 far 0 99 0 - 8.9-9.9 Violated in 10 structures by 0.07 A. Peak 9130 from nnoeabs.peaks (2.21, 8.44, 123.27 ppm; 6.15 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLN 83 + H ASN 10 OK 100 100 100 100 3.5-5.0 9991/43=82, 9110/44=82...(8) Violated in 0 structures by 0.00 A. Peak 9131 from nnoeabs.peaks (3.02, 8.44, 123.27 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.97: HB2 ASN 11 + H ASN 10 OK 97 99 100 98 3.9-4.9 1074/46=89, 9133/9128=52...(5) HB2 ASN 59 - H ASN 10 lone 0 77 45 1 5.2-8.6 HB3 PHE 93 - H ASN 10 far 0 81 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 9132 from nnoeabs.peaks (6.19, 8.37, 120.92 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.89: HG1 THR 9 + H ASN 11 OK 89 96 100 93 2.0-3.1 3.0/9143=56, 9128/46=45...(6) Violated in 0 structures by 0.00 A. Peak 9141 from nnoeabs.peaks (4.32, 8.37, 120.92 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.98: HB THR 9 + H ASN 11 OK 98 98 100 99 3.0-4.4 2.1/9143=93, 2.8/9132=80 HA GLN 85 - H ASN 11 far 0 61 0 - 9.5-11.6 Violated in 2 structures by 0.00 A. Peak 9142 from nnoeabs.peaks (1.81, 8.37, 120.92 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.85: HB2 LEU 14 + H ASN 11 OK 85 87 100 98 3.6-5.1 9137/1074=69...(7) HB ILE 18 - H ASN 11 far 0 92 0 - 8.5-9.9 HB ILE 57 - H ASN 11 far 0 87 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 9143 from nnoeabs.peaks (0.86, 8.37, 120.92 ppm; 3.32 A): 1 out of 6 assignments used, quality = 0.93: QG2 THR 9 + H ASN 11 OK 93 97 100 96 3.2-4.2 9126=51, 3.0/9132=48...(11) QD1 LEU 14 - H ASN 11 far 0 100 0 - 5.5-6.0 QG2 ILE 15 - H ASN 11 far 0 94 0 - 6.7-7.4 QG2 ILE 57 - H ASN 11 far 0 73 0 - 6.8-8.1 QG2 VAL 107 - H ASN 11 far 0 87 0 - 7.7-10.0 QG2 VAL 117 - H ASN 11 far 0 94 0 - 8.9-10.0 Violated in 19 structures by 0.24 A. Peak 9144 from nnoeabs.peaks (0.76, 8.37, 120.92 ppm; 3.72 A): 2 out of 8 assignments used, quality = 0.98: QD2 LEU 14 + H ASN 11 OK 91 100 100 91 3.0-4.1 11006/9132=38...(9) QD1 ILE 15 + H ASN 11 OK 79 100 90 88 4.4-5.3 9171=41, 9175/3.6=41...(8) QG2 ILE 7 - H ASN 11 far 0 61 0 - 6.3-6.8 QG1 VAL 107 - H ASN 11 far 0 100 0 - 6.7-8.5 QD1 ILE 7 - H ASN 11 far 0 99 0 - 9.1-10.2 QD1 LEU 82 - H ASN 11 far 0 77 0 - 9.3-10.8 QD1 LEU 80 - H ASN 11 far 0 87 0 - 9.6-12.4 QD2 LEU 80 - H ASN 11 far 0 84 0 - 9.9-12.6 Violated in 5 structures by 0.02 A. Peak 9149 from nnoeabs.peaks (1.82, 7.33, 114.07 ppm; 5.56 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 14 + HD21 ASN 11 OK 100 100 100 100 3.8-6.6 9137/3.5=77, 9145/3.5=67...(24) HB2 LEU 14 + HD22 ASN 11 OK 35 100 35 100 5.4-8.0 9137/3.5=77, 9145/3.5=67...(23) HB ILE 18 - HD21 ASN 11 far 0 100 0 - 8.2-11.8 HB ILE 18 - HD22 ASN 11 far 0 100 0 - 9.8-12.7 Violated in 9 structures by 0.12 A. Peak 9150 from nnoeabs.peaks (1.49, 7.33, 114.07 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.92: HB3 LEU 14 + HD21 ASN 11 OK 80 84 95 100 3.5-7.4 9138/3.5=52, 9146/3.5=46...(23) HB3 LEU 14 + HD22 ASN 11 OK 59 84 70 100 5.1-8.5 9138/3.5=52, 9146/3.5=46...(22) Violated in 6 structures by 0.29 A. Peak 9151 from nnoeabs.peaks (0.86, 7.33, 114.07 ppm; 5.30 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 14 + HD21 ASN 11 OK 100 100 100 100 4.3-5.8 ~9170=49, 3.1/9149=47...(25) QG2 THR 9 + HD21 ASN 11 OK 92 100 95 97 5.6-6.8 9143/5.6=59...(9) QD1 LEU 14 + HD22 ASN 11 OK 90 100 90 100 5.5-6.9 ~9170=49, 2.1/9152=44...(24) QG2 VAL 107 - HD21 ASN 11 poor 19 97 20 - 6.5-11.1 QG2 THR 9 - HD22 ASN 11 far 0 100 0 - 7.0-7.9 QG2 VAL 107 - HD22 ASN 11 far 0 97 0 - 7.1-11.5 QG2 ILE 15 - HD21 ASN 11 far 0 81 0 - 7.3-9.9 QG2 ILE 15 - HD22 ASN 11 far 0 80 0 - 8.6-10.3 QG2 VAL 117 - HD21 ASN 11 far 0 99 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 9152 from nnoeabs.peaks (0.77, 7.33, 114.07 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 14 + HD21 ASN 11 OK 98 98 100 100 1.9-3.9 9170/3.5=58...(27) QD2 LEU 14 + HD22 ASN 11 OK 98 98 100 100 3.2-4.5 9170/3.5=58, 11004=42...(25) QD1 ILE 15 - HD21 ASN 11 far 10 99 10 - 5.6-8.2 QG1 VAL 107 - HD21 ASN 11 far 0 98 0 - 6.7-9.4 QD1 ILE 15 - HD22 ASN 11 far 0 99 0 - 6.9-8.4 QG1 VAL 107 - HD22 ASN 11 far 0 98 0 - 7.6-10.8 Violated in 0 structures by 0.00 A. Peak 9153 from nnoeabs.peaks (0.77, 8.59, 126.31 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.98: QD1 ILE 15 + H ASP 12 OK 92 92 100 100 3.8-5.5 9174/3.0=76, 9172=48...(15) QD2 LEU 14 + H ASP 12 OK 74 90 100 83 4.8-5.8 4.3/1972=45, 9170/4.4=40...(5) QG1 VAL 107 - H ASP 12 far 0 90 0 - 9.9-11.6 Violated in 1 structures by 0.00 A. Peak 9157 from nnoeabs.peaks (2.64, 7.58, 121.68 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 12 + H LEU 14 OK 97 100 100 97 5.1-5.6 4.6/62=75, 4.0/1972=59...(5) HB3 ASP 12 + H LEU 14 OK 97 100 100 97 5.2-6.0 4.6/62=75, 4.0/1972=59...(5) Violated in 0 structures by 0.00 A. Peak 9158 from nnoeabs.peaks (2.73, 7.58, 121.68 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.92: HB3 ASN 11 + H LEU 14 OK 92 92 100 100 2.4-4.7 1.8/9136=91, 9135=88...(11) Violated in 0 structures by 0.00 A. Peak 9159 from nnoeabs.peaks (3.04, 7.58, 121.68 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.89: HB2 ASN 11 + H LEU 14 OK 89 90 100 100 2.4-4.3 9136=85, 1.8/9158=72...(12) Violated in 0 structures by 0.00 A. Peak 9160 from nnoeabs.peaks (0.64, 7.58, 121.68 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.95: HG13 ILE 15 + H LEU 14 OK 95 96 100 99 4.8-5.5 1100/1863=83...(7) QG1 VAL 22 - H LEU 14 far 0 98 0 - 9.5-10.9 Violated in 4 structures by 0.01 A. Peak 9161 from nnoeabs.peaks (1.70, 7.58, 121.68 ppm; 4.65 A): 0 out of 3 assignments used, quality = 0.00: HD3 LYS 16 - H LEU 14 poor 15 77 20 - 5.2-8.2 HD2 LYS 16 - H LEU 14 far 0 65 0 - 6.5-8.1 HD3 LYS 20 - H LEU 14 far 0 70 0 - 10.0-13.0 Violated in 20 structures by 1.36 A. Peak 9162 from nnoeabs.peaks (1.94, 7.58, 121.68 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 17 + H LEU 14 OK 76 81 95 99 4.3-6.4 7979/3.0=58, ~7977=49...(13) Violated in 9 structures by 0.31 A. Peak 9184 from nnoeabs.peaks (1.98, 8.79, 120.96 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.88: HB2 LYS 17 + H ILE 18 OK 83 84 100 99 2.3-4.0 1.8/95=76, 4.6=58...(9) HB3 GLU 21 + H ILE 18 OK 32 97 40 83 4.7-6.8 8005/3.0=52, ~8004=26...(7) HB VAL 22 - H ILE 18 far 0 99 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 9185 from nnoeabs.peaks (0.85, 8.79, 120.96 ppm; 3.89 A): 2 out of 9 assignments used, quality = 0.96: QD1 LEU 14 + H ILE 18 OK 92 94 100 97 3.5-4.3 11652/1128=51...(13) QG2 ILE 15 + H ILE 18 OK 54 100 70 78 4.8-5.6 3.2/1993=48, 78/1985=29...(8) QG2 VAL 117 - H ILE 18 poor 19 77 30 84 4.8-6.3 10524/1128=41...(10) QG2 THR 9 - H ILE 18 poor 18 84 35 60 5.2-5.8 11097/1993=25...(9) QG2 ILE 57 - H ILE 18 far 0 92 0 - 5.5-6.6 QG2 VAL 22 - H ILE 18 far 0 99 0 - 5.5-6.1 HG13 ILE 57 - H ILE 18 far 0 94 0 - 7.1-9.6 QG2 ILE 5 - H ILE 18 far 0 94 0 - 8.1-9.8 QG2 VAL 107 - H ILE 18 far 0 65 0 - 9.1-11.0 Violated in 6 structures by 0.01 A. Peak 9201 from nnoeabs.peaks (2.10, 7.30, 116.28 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.95: HB2 GLU 21 + H LYS 20 OK 73 90 100 82 4.2-5.9 4.1/1869=75, 8004/8001=26 HG2 GLU 21 + H LYS 20 OK 60 100 90 67 4.1-6.8 5.0/1869=60, 10788/2001=17 HG3 GLU 21 + H LYS 20 OK 50 100 75 67 5.1-6.9 5.0/1869=60, 10788/2001=17 Violated in 1 structures by 0.00 A. Peak 9202 from nnoeabs.peaks (0.84, 7.30, 116.28 ppm; 5.36 A): 2 out of 7 assignments used, quality = 0.97: QG2 VAL 22 + H LYS 20 OK 90 94 100 96 3.7-4.2 10859/3.6=82...(8) QG2 ILE 15 + H LYS 20 OK 67 100 100 67 6.0-6.7 10781/109=26...(6) QG2 ILE 57 - H LYS 20 far 5 99 5 - 6.9-8.8 QD1 LEU 14 - H LYS 20 far 0 81 0 - 7.1-7.7 QG2 THR 9 - H LYS 20 far 0 65 0 - 8.2-9.1 HG13 ILE 57 - H LYS 20 far 0 81 0 - 8.2-9.8 QG2 ILE 5 - H LYS 20 far 0 99 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 9203 from nnoeabs.peaks (0.69, 7.30, 116.28 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.36: QD1 ILE 57 + H LYS 20 OK 36 81 65 68 5.7-7.3 9560/3.6=34, 4530/109=24...(7) QD1 LEU 55 - H LYS 20 far 14 94 15 - 6.3-8.8 QD2 LEU 81 - H LYS 20 far 0 84 0 - 8.3-9.4 Violated in 20 structures by 1.21 A. Peak 9204 from nnoeabs.peaks (0.83, 7.67, 118.49 ppm; 4.02 A): 0 out of 3 assignments used, quality = 0.00: QG2 ILE 15 - H GLU 21 far 0 84 0 - 7.8-8.4 QG2 ILE 57 - H GLU 21 far 0 98 0 - 7.9-10.0 QG2 ILE 5 - H GLU 21 far 0 97 0 - 8.9-10.3 Violated in 20 structures by 3.27 A. Peak 9205 from nnoeabs.peaks (0.68, 7.67, 118.49 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.74: QD2 LEU 114 + H GLU 21 OK 74 97 85 89 3.5-6.1 10446/4.1=57...(7) QD1 LEU 55 - H GLU 21 far 0 97 0 - 6.6-9.0 Violated in 13 structures by 0.74 A. Peak 9206 from nnoeabs.peaks (8.04, 7.67, 118.49 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 22 + H GLU 21 OK 99 100 100 99 2.9-3.0 4.6=87, 11655/3128=69...(6) H ARG 118 - H GLU 21 far 0 90 0 - 7.4-9.7 H GLY 26 - H GLU 21 far 0 70 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. 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): 1 out of 1 assignment used, quality = 0.81: HE21 GLN 25 + H GLY 26 OK 81 99 100 82 4.8-6.4 918/3.6=48, 9211/3.0=47...(5) Violated in 17 structures by 0.63 A. Peak 9230 from nnoeabs.peaks (9.11, 8.34, 120.36 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.98: H LEU 55 + H GLN 28 OK 98 98 100 100 2.3-3.8 9524=78, 325/9232=71...(8) Violated in 0 structures by 0.00 A. Peak 9232 from nnoeabs.peaks (4.84, 8.34, 120.36 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.81: HA ILE 54 + H GLN 28 OK 81 99 100 81 1.9-4.2 325/9230=43, 4.2/9237=34...(5) HA ILE 5 - H GLN 28 far 0 94 0 - 9.5-10.5 HA ILE 3 - H GLN 28 far 0 73 0 - 9.9-11.0 Violated in 1 structures by 0.01 A. Peak 9234 from nnoeabs.peaks (1.11, 8.34, 120.36 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.48: HB3 LYS 53 + H GLN 28 OK 48 73 90 73 3.5-7.4 11226/150=72 HG2 LYS 19 - H GLN 28 far 0 73 0 - 8.6-10.0 Violated in 9 structures by 0.44 A. Peak 9235 from nnoeabs.peaks (0.88, 8.34, 120.36 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.67: QG2 VAL 29 + H GLN 28 OK 67 70 100 96 4.7-5.5 11140/9230=57, ~9239=56...(5) Violated in 7 structures by 0.02 A. Peak 9236 from nnoeabs.peaks (0.75, 8.34, 120.36 ppm; 5.32 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 54 + H GLN 28 OK 100 100 100 100 2.8-5.9 3.2/9232=88, 9494=82...(5) QD2 LEU 55 + H GLN 28 OK 73 87 100 84 4.7-6.2 4.7/9230=61, 4587/4.5=35...(5) QD1 ILE 7 - H GLN 28 far 0 61 0 - 7.7-10.1 QD1 LEU 45 - H GLN 28 far 0 98 0 - 7.7-9.8 QD2 LEU 6 - H GLN 28 far 0 84 0 - 9.2-10.9 Violated in 1 structures by 0.00 A. Peak 9237 from nnoeabs.peaks (0.64, 8.34, 120.36 ppm; 4.83 A): 1 out of 5 assignments used, quality = 0.99: QD1 ILE 54 + H GLN 28 OK 99 99 100 100 3.1-5.8 4.2/9232=65...(11) QD1 LEU 4 - H GLN 28 far 15 100 15 - 5.7-8.6 QG1 VAL 22 - H GLN 28 far 10 100 10 - 6.3-7.5 QD1 ILE 5 - H GLN 28 far 4 77 5 - 6.2-9.0 QD1 ILE 71 - H GLN 28 far 0 77 0 - 9.8-11.4 Violated in 9 structures by 0.18 A. Peak 9242 from nnoeabs.peaks (0.70, 8.78, 123.48 ppm; 5.67 A): 2 out of 4 assignments used, quality = 0.94: QD1 ILE 57 + H VAL 29 OK 83 94 100 88 4.9-6.6 11362/4.6=51...(6) QD1 LEU 55 + H VAL 29 OK 66 81 95 86 5.1-7.3 ~9513=50, 2.1/9527=34...(5) QD2 LEU 4 - H VAL 29 far 0 57 0 - 8.0-10.4 QG2 ILE 56 - H VAL 29 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 9250 from nnoeabs.peaks (8.54, 9.13, 127.79 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.98: H ILE 57 + H ARG 30 OK 98 100 100 98 3.6-5.0 339/10680=71, 11361=70...(6) H LYS 19 - H ARG 30 far 0 94 0 - 8.2-9.3 Violated in 1 structures by 0.01 A. Peak 9254 from nnoeabs.peaks (0.69, 9.13, 127.79 ppm; 3.86 A): 3 out of 5 assignments used, quality = 0.85: QG2 ILE 56 + H ARG 30 OK 64 97 80 82 4.5-5.5 3.2/10680=48...(5) QD1 ILE 57 + H ARG 30 OK 42 57 100 73 2.1-3.8 2.1/1196=33, 4.9/9250=29...(7) QD1 LEU 55 + H ARG 30 OK 27 100 60 45 2.6-6.1 11554/2.9=29, 9242/4.6=8...(6) QD2 LEU 4 - H ARG 30 far 0 94 0 - 6.4-8.5 QD2 LEU 81 - H ARG 30 far 0 61 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 9255 from nnoeabs.peaks (1.79, 9.13, 127.79 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.51: HB3 GLN 28 + H ARG 30 OK 51 97 100 52 4.4-6.1 160/4.6=51, 11716/11717=1 HB2 LYS 19 - H ARG 30 far 0 100 0 - 6.9-8.8 HB VAL 32 - H ARG 30 far 0 81 0 - 7.4-8.7 HG12 ILE 5 - H ARG 30 far 0 70 0 - 7.8-10.8 Violated in 12 structures by 0.40 A. Peak 9273 from nnoeabs.peaks (0.76, 8.38, 121.89 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.77: QG2 VAL 32 + H ASP 31 OK 77 100 100 77 4.0-4.4 1207/4.6=53, ~11682=33...(4) QG2 ILE 54 - H ASP 31 far 0 73 0 - 6.0-7.7 QD1 ILE 15 - H ASP 31 far 0 100 0 - 6.6-9.1 QD1 ILE 7 - H ASP 31 far 0 99 0 - 8.5-11.1 QG2 ILE 7 - H ASP 31 far 0 65 0 - 9.5-10.5 QD1 LEU 45 - H ASP 31 far 0 96 0 - 9.5-11.5 Violated in 10 structures by 0.03 A. Peak 9285 from nnoeabs.peaks (5.01, 8.44, 120.43 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.69: * HA SER 58 + H VAL 32 OK 69 100 100 69 2.6-3.7 9584=35, 9606/9577=23...(6) Violated in 0 structures by 0.00 A. Peak 9305 from nnoeabs.peaks (2.17, 9.55, 122.70 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.99: HB3 GLU 37 + H ASN 33 OK 99 100 100 99 3.2-4.8 1.8/9306=72, 9318/187=67...(8) Violated in 1 structures by 0.04 A. Peak 9306 from nnoeabs.peaks (2.28, 9.55, 122.70 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.76: HB2 GLU 37 + H ASN 33 OK 76 77 100 99 3.7-4.3 1.8/9305=78, 9317/187=62...(8) Violated in 18 structures by 0.11 A. Peak 9307 from nnoeabs.peaks (2.46, 9.55, 122.70 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.42: HB2 ASP 31 + H ASN 33 OK 42 99 70 61 4.9-6.8 180/4.7=30, 9266/876=24...(4) HB3 ASP 31 - H ASN 33 poor 18 99 30 61 5.2-6.8 180/4.7=30, 9265/1212=23...(4) HG3 GLU 41 - H ASN 33 far 10 99 10 - 6.2-9.7 Violated in 20 structures by 0.75 A. Peak 9314 from nnoeabs.peaks (2.48, 7.94, 114.61 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.58: HB2 ASP 31 + HD21 ASN 33 OK 39 65 75 80 3.2-7.7 9315/1.7=40, ~9315=29...(6) HB3 ASP 31 + HD21 ASN 33 OK 30 70 55 79 4.2-6.8 9315/1.7=39, ~9315=29...(5) Violated in 11 structures by 0.37 A. Peak 9315 from nnoeabs.peaks (2.48, 7.02, 114.61 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.86: HB2 ASP 31 + HD22 ASN 33 OK 64 87 90 82 2.6-9.4 9314/1.7=39, 1.8/9266=27...(6) HB3 ASP 31 + HD22 ASN 33 OK 63 90 90 78 4.0-7.7 9314/1.7=29, 1.8/9266=29...(5) Violated in 5 structures by 0.24 A. Peak 9316 from nnoeabs.peaks (2.44, 7.62, 114.89 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLU 37 + H ASP 34 OK 100 100 100 100 3.6-5.7 3.0/9318=88, 3.0/9317=81...(10) HG3 GLU 41 - H ASP 34 far 0 65 0 - 6.2-9.2 Violated in 16 structures by 0.59 A. Peak 9317 from nnoeabs.peaks (2.28, 7.62, 114.89 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.94: HB2 GLU 37 + H ASP 34 OK 94 94 100 100 3.1-4.4 1.8/9318=85, 9357=55...(12) Violated in 19 structures by 0.42 A. Peak 9318 from nnoeabs.peaks (2.18, 7.62, 114.89 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.90: HB3 GLU 37 + H ASP 34 OK 90 98 95 97 2.5-4.7 1.8/9317=57, 9305/187=38...(11) HB2 GLN 62 - H ASP 34 far 0 81 0 - 9.0-11.5 HB3 GLN 62 - H ASP 34 far 0 81 0 - 9.1-11.8 HG3 GLU 66 - H ASP 34 far 0 98 0 - 9.5-10.8 Violated in 1 structures by 0.08 A. Peak 9319 from nnoeabs.peaks (0.86, 7.62, 114.89 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.97: QG1 VAL 32 + H ASP 34 OK 97 98 100 99 1.8-2.3 9278=71, 3.2/9322=46...(11) QG2 ILE 15 - H ASP 34 far 0 81 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 9320 from nnoeabs.peaks (0.75, 7.62, 114.89 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 63 + H ASP 34 OK 95 98 100 97 2.5-3.5 11263/3.0=46...(13) QG2 VAL 32 + H ASP 34 OK 69 73 100 94 3.9-4.4 2.1/9319=65, 3.2/9322=45...(9) QD1 ILE 15 - H ASP 34 far 0 70 0 - 8.7-10.1 QD2 LEU 6 - H ASP 34 far 0 87 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 9321 from nnoeabs.peaks (4.08, 7.62, 114.89 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.69: HA GLU 37 + H ASP 34 OK 69 70 100 100 5.4-5.9 3.0/9318=94, 3.0/9317=89...(7) Violated in 20 structures by 0.64 A. Peak 9322 from nnoeabs.peaks (4.25, 7.62, 114.89 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.96: HA VAL 32 + H ASP 34 OK 96 97 100 99 3.3-3.4 183/187=63, 3.2/9319=56...(12) HA GLU 41 - H ASP 34 far 0 96 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 9325 from nnoeabs.peaks (8.21, 7.62, 114.89 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.87: H LEU 38 + H ASP 34 OK 87 87 100 100 4.1-4.8 11315=77, 11505/9319=62...(13) Violated in 9 structures by 0.07 A. Peak 9327 from nnoeabs.peaks (9.01, 7.62, 114.89 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: H GLU 37 + H ASP 34 OK 100 100 100 100 3.7-4.0 9350=77, 1229/9318=67...(15) Violated in 0 structures by 0.00 A. Peak 9330 from nnoeabs.peaks (8.21, 8.87, 114.38 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.97: H LEU 38 + H SER 35 OK 97 97 100 100 4.7-5.0 8028/2.9=93...(8) Violated in 0 structures by 0.00 A. Peak 9334 from nnoeabs.peaks (0.72, 8.87, 114.38 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 63 + H SER 35 OK 70 73 100 95 2.9-3.8 9338/2.9=51...(10) QD1 LEU 63 + H SER 35 OK 70 73 100 95 3.5-4.7 9324/194=58...(11) Violated in 0 structures by 0.00 A. Peak 9339 from nnoeabs.peaks (2.16, 8.39, 124.69 ppm; 5.50 A): 1 out of 3 assignments used, quality = 0.88: HB3 GLU 37 + H ASP 36 OK 88 90 100 99 4.6-5.6 3.8/1881=93, 4.7/2030=64...(4) HB3 GLN 62 - H ASP 36 far 0 100 0 - 9.7-11.9 HB2 GLN 62 - H ASP 36 far 0 100 0 - 9.8-11.6 Violated in 1 structures by 0.01 A. Peak 9341 from nnoeabs.peaks (0.72, 8.39, 124.69 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 63 + H ASP 36 OK 89 90 100 100 4.2-5.0 9338/3.6=90...(8) Violated in 0 structures by 0.00 A. Peak 9343 from nnoeabs.peaks (3.10, 8.39, 124.69 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.85: HB3 ASP 34 + H ASP 36 OK 85 87 100 98 2.9-4.5 4.5/1880=61, 9328=59...(5) Violated in 0 structures by 0.00 A. Peak 9344 from nnoeabs.peaks (4.70, 8.39, 124.69 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.96: HA ASP 34 + H ASP 36 OK 96 96 100 100 3.8-4.4 3.6/1880=87...(5) Violated in 0 structures by 0.00 A. Peak 9348 from nnoeabs.peaks (7.83, 8.39, 124.69 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: H LYS 39 + H ASP 36 OK 100 100 100 100 4.5-4.9 2035/3.0=96...(11) HE21 GLN 62 - H ASP 36 far 0 70 0 - 7.8-13.9 Violated in 0 structures by 0.00 A. Peak 9350 from nnoeabs.peaks (7.61, 9.01, 122.45 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: H ASP 34 + H GLU 37 OK 100 100 100 100 3.7-4.0 9327=100, 9318/1229=76...(15) Violated in 0 structures by 0.00 A. Peak 9359 from nnoeabs.peaks (0.88, 9.01, 122.45 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 38 + H GLU 37 OK 96 98 100 98 3.9-4.7 1237/1882=85...(6) QG1 VAL 32 + H GLU 37 OK 72 73 100 98 3.2-3.9 9282/1882=54...(8) Violated in 0 structures by 0.00 A. Peak 9360 from nnoeabs.peaks (0.74, 9.01, 122.45 ppm; 5.54 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 63 + H GLU 37 OK 100 100 100 100 4.4-5.6 11263/11684=86...(11) QD2 LEU 6 - H GLU 37 far 0 97 0 - 9.9-11.0 Violated in 2 structures by 0.00 A. Peak 9391 from nnoeabs.peaks (2.44, 7.83, 118.40 ppm; 6.20 A): 3 out of 6 assignments used, quality = 1.00: HG2 GLU 37 + H LYS 39 OK 96 98 100 97 4.8-7.3 1230/2028=76...(5) HG3 GLU 98 + H ILE 97 OK 90 92 100 99 4.7-7.2 5.1/621=84, 4.9/2177=57...(8) HG2 GLN 100 + H ILE 97 OK 78 89 90 97 4.2-7.9 ~10894=67, 10112/3.0=47...(9) HG3 GLU 69 - H ILE 97 far 0 92 0 - 8.9-13.0 HG2 GLU 91 - H ILE 97 far 0 51 0 - 9.7-11.3 HG3 GLU 69 - H LYS 39 far 0 100 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 9392 from nnoeabs.peaks (0.88, 7.78, 119.27 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 38 + H LYS 40 OK 97 98 100 99 4.5-5.0 7470/218=74, 9390/3.6=71...(7) QG1 VAL 32 + H LYS 40 OK 32 73 65 68 5.7-6.4 9282/2039=31...(4) Violated in 3 structures by 0.02 A. Peak 9394 from nnoeabs.peaks (0.75, 8.72, 119.65 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.68: QG2 VAL 32 + H GLU 41 OK 68 73 100 92 3.9-4.7 9399/1263=74...(5) QD1 LEU 45 - H GLU 41 far 5 97 5 - 6.1-8.0 QD1 LEU 63 - H GLU 41 far 0 98 0 - 6.9-8.4 QG2 ILE 54 - H GLU 41 far 0 100 0 - 6.9-8.6 QD2 LEU 6 - H GLU 41 far 0 87 0 - 7.7-9.0 Violated in 4 structures by 0.02 A. Peak 9411 from nnoeabs.peaks (1.50, 8.78, 118.11 ppm; 5.00 A): 1 out of 5 assignments used, quality = 0.49: HG2 LYS 43 + H MET 42 OK 49 70 100 71 4.1-5.0 4.9/244=64, 9420/1269=12 HG2 ARG 30 - H MET 42 far 0 100 0 - 7.4-10.5 HB3 LEU 45 - H MET 42 far 0 92 0 - 7.4-8.7 HB3 ARG 30 - H MET 42 far 0 65 0 - 7.8-10.0 HG3 LYS 73 - H MET 42 far 0 65 0 - 9.2-12.2 Violated in 1 structures by 0.00 A. Peak 9412 from nnoeabs.peaks (0.96, 8.78, 118.11 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.98: QD1 LEU 38 + H MET 42 OK 96 100 100 97 4.7-5.4 10992/1269=67...(9) HG13 ILE 56 + H MET 42 OK 40 100 85 47 5.3-8.1 11532/3803=29...(5) HD3 LYS 2 - H MET 42 far 0 100 0 - 9.0-13.6 Violated in 8 structures by 0.05 A. Peak 9413 from nnoeabs.peaks (0.91, 8.78, 118.11 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 70 + H MET 42 OK 97 99 100 98 3.4-4.9 11368/1269=76...(8) QD2 LEU 70 + H MET 42 OK 85 97 100 88 3.6-4.9 11367/5.0=42...(6) Violated in 0 structures by 0.00 A. Peak 9414 from nnoeabs.peaks (0.75, 8.78, 118.11 ppm; 5.00 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 45 + H MET 42 OK 100 100 100 100 4.3-6.5 9435/3.0=81...(14) QG2 VAL 32 + H MET 42 OK 85 90 100 94 4.9-6.3 9394/1886=66...(8) QG2 ILE 54 - H MET 42 far 10 98 10 - 6.2-8.5 QD2 LEU 6 - H MET 42 far 0 70 0 - 6.6-7.5 QD1 LEU 63 - H MET 42 far 0 90 0 - 7.9-9.3 Violated in 3 structures by 0.04 A. Peak 9462 from nnoeabs.peaks (1.90, 7.71, 115.49 ppm; 4.51 A): 4 out of 6 assignments used, quality = 1.00: HB2 LEU 45 + H GLU 47 OK 95 100 100 95 4.5-4.7 273/278=80, 3.0/2072=49...(4) HB3 LYS 44 + H GLU 47 OK 91 100 100 91 4.9-5.7 3.0/2074=70, 4.7/2073=37...(6) HB2 LYS 44 + H GLU 47 OK 87 97 100 90 5.0-5.6 3.0/2074=70, 4.7/2073=37...(6) HB3 LYS 43 + H GLU 47 OK 23 100 100 22 4.8-5.6 11238/1306=8, 9454/3.6=7...(4) HB2 LYS 43 - H GLU 47 poor 13 100 50 26 5.6-6.4 3903/2074=13...(5) HB2 LYS 49 - H GLU 47 far 5 99 5 - 5.3-9.3 Violated in 0 structures by 0.00 A. Peak 9464 from nnoeabs.peaks (1.79, 7.96, 119.96 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.40: HB ILE 3 + H LYS 53 OK 40 90 50 90 3.9-7.5 9001/2.9=62, ~9004=42...(4) HB3 GLN 28 - H LYS 53 poor 6 87 25 29 5.4-9.0 11481/10800=29 HG12 ILE 5 - H LYS 53 far 4 87 5 - 6.2-11.5 Violated in 19 structures by 1.26 A. Peak 9480 from nnoeabs.peaks (6.80, 8.80, 124.73 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.67: QD TYR 27 + H ILE 54 OK 67 70 100 97 3.4-6.2 2.2/9481=52, 9508/4.4=50...(13) Violated in 6 structures by 0.20 A. Peak 9481 from nnoeabs.peaks (6.60, 8.80, 124.73 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.89: QE TYR 27 + H ILE 54 OK 89 90 100 100 2.6-6.6 2.2/9480=96, 9226/319=64...(11) Violated in 2 structures by 0.02 A. Peak 9485 from nnoeabs.peaks (5.46, 8.80, 124.73 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 4 + H ILE 54 OK 99 100 100 99 2.8-4.4 10681=82, 9486/1350=45...(15) Violated in 1 structures by 0.00 A. Peak 9506 from nnoeabs.peaks (5.06, 9.10, 130.09 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.98: HA ILE 56 + H LEU 55 OK 96 100 100 96 4.8-5.2 3.0/1898=60, ~332=36...(11) HA VAL 29 + H LEU 55 OK 58 70 100 83 3.5-4.7 3.2/11140=59...(7) Violated in 1 structures by 0.00 A. Peak 9508 from nnoeabs.peaks (6.80, 9.10, 130.09 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.91: QD TYR 27 + H LEU 55 OK 91 92 100 99 2.8-5.3 4583/3.9=61, 4.5/9230=53...(10) Violated in 3 structures by 0.03 A. Peak 9524 from nnoeabs.peaks (8.35, 9.10, 130.09 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.96: H GLN 28 + H LEU 55 OK 96 96 100 100 2.3-3.8 9230=91, 9232/325=74...(8) H PHE 51 - H LEU 55 far 0 99 0 - 8.7-13.4 Violated in 0 structures by 0.00 A. Peak 9529 from nnoeabs.peaks (8.78, 9.18, 125.98 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.84: H ILE 5 + H ILE 56 OK 84 92 100 92 2.8-4.3 9525/332=66, 4.4/1366=25...(11) H VAL 29 - H ILE 56 far 0 100 0 - 7.6-8.4 H MET 42 - H ILE 56 far 0 99 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 9530 from nnoeabs.peaks (8.93, 9.18, 125.98 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.97: H ILE 7 + H ILE 56 OK 97 100 100 97 4.4-5.5 3.6/9535=67, 9086=64...(7) Violated in 16 structures by 0.26 A. Peak 9535 from nnoeabs.peaks (5.34, 9.18, 125.98 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.85: * HA LEU 6 + H ILE 56 OK 85 92 100 93 3.5-4.3 9072=63, 3.6/9530=44...(4) Violated in 3 structures by 0.02 A. Peak 9570 from nnoeabs.peaks (5.21, 8.54, 127.24 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.94: HA ASP 31 + H ILE 57 OK 94 100 100 94 2.2-3.7 10683=68, 179/11348=45...(6) Violated in 2 structures by 0.01 A. Peak 9576 from nnoeabs.peaks (8.44, 8.54, 127.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: H VAL 32 + H ILE 57 OK 100 100 100 100 3.5-4.2 11348=100, 179/9570=80...(6) Violated in 0 structures by 0.00 A. Peak 9585 from nnoeabs.peaks (8.04, 8.81, 119.27 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.98: H THR 9 + H SER 58 OK 98 100 100 98 3.7-4.8 9127=85, 37/9589=73...(4) H LYS 65 - H SER 58 far 0 99 0 - 8.2-9.3 Violated in 3 structures by 0.00 A. Peak 9586 from nnoeabs.peaks (8.91, 8.81, 119.27 ppm; 4.63 A): 0 out of 1 assignment used, quality = 0.00: H LYS 61 - H SER 58 far 0 98 0 - 8.5-9.2 Violated in 20 structures by 4.24 A. Peak 9589 from nnoeabs.peaks (5.91, 8.81, 119.27 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.88: HA ASN 8 + H SER 58 OK 88 99 100 89 3.0-4.2 9091=56, 37/9127=52...(7) Violated in 0 structures by 0.00 A. Peak 9594 from nnoeabs.peaks (1.90, 8.81, 119.27 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.64: HB ILE 7 + H SER 58 OK 64 87 100 74 4.1-5.2 9080/346=41, 9089=30...(5) HB ILE 15 - H SER 58 far 0 90 0 - 7.2-9.1 HB2 LEU 81 - H SER 58 far 0 77 0 - 7.2-10.3 Violated in 16 structures by 0.20 A. Peak 9609 from nnoeabs.peaks (2.72, 8.79, 122.38 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.84: HB2 ASP 60 + H ASN 59 OK 84 90 100 94 4.5-5.6 4.0/356=83, 9685/9613=65 HG3 GLU 37 - H ASN 59 far 0 99 0 - 8.2-11.7 Violated in 17 structures by 0.28 A. Peak 9612 from nnoeabs.peaks (0.83, 8.79, 122.38 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.85: QG2 ILE 57 + H ASN 59 OK 81 98 90 92 4.5-6.6 348/4.6=65, 11686/4.5=43...(7) QG2 ILE 15 + H ASN 59 OK 20 84 75 32 5.1-6.9 9619/5.4=15, 9607/353=12...(4) QD2 LEU 82 - H ASN 59 far 0 94 0 - 7.9-11.9 Violated in 7 structures by 0.15 A. Peak 9613 from nnoeabs.peaks (0.74, 8.79, 122.38 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.95: QD1 LEU 63 + H ASN 59 OK 95 100 100 95 3.2-4.3 9649/356=68...(7) QG2 ILE 7 - H ASN 59 far 0 99 0 - 7.0-8.2 QD2 LEU 6 - H ASN 59 far 0 99 0 - 7.2-8.8 QD2 LEU 55 - H ASN 59 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 9617 from nnoeabs.peaks (0.78, 7.52, 109.57 ppm; 5.05 A): 1 out of 6 assignments used, quality = 0.58: QD1 ILE 15 + HD21 ASN 59 OK 58 73 100 79 2.8-5.8 9618/1.7=52, 3.0/9620=29...(6) QG2 VAL 32 - HD21 ASN 59 far 0 70 0 - 6.6-11.3 QD2 LEU 14 - HD21 ASN 59 far 0 70 0 - 7.7-11.5 QD2 LEU 64 - HD21 ASN 59 far 0 100 0 - 9.4-11.4 QD1 ILE 7 - HD21 ASN 59 far 0 84 0 - 9.6-12.6 QD1 LEU 80 - HD21 ASN 59 far 0 99 0 - 9.9-13.1 Violated in 3 structures by 0.07 A. Peak 9618 from nnoeabs.peaks (0.77, 6.75, 109.57 ppm; 5.64 A): 1 out of 4 assignments used, quality = 0.96: QD1 ILE 15 + HD22 ASN 59 OK 96 99 100 97 2.4-6.4 9617/1.7=73, 9176=61...(8) QG2 VAL 32 - HD22 ASN 59 poor 20 98 20 - 6.2-12.3 QD2 LEU 14 - HD22 ASN 59 far 0 98 0 - 7.6-12.5 QD2 LEU 64 - HD22 ASN 59 far 0 81 0 - 9.3-11.4 Violated in 7 structures by 0.15 A. Peak 9619 from nnoeabs.peaks (0.84, 6.75, 109.57 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.91: QG2 ILE 15 + HD22 ASN 59 OK 83 100 85 97 4.3-8.0 3.0/9618=82, ~9617=72...(4) QG2 ILE 57 + HD22 ASN 59 OK 34 99 60 57 5.2-9.0 9612/5.4=41...(3) QG2 THR 9 + HD22 ASN 59 OK 20 65 75 41 4.6-9.4 2716/9618=22...(3) QD1 LEU 14 - HD22 ASN 59 far 0 81 0 - 8.9-13.5 HG13 ILE 57 - HD22 ASN 59 far 0 81 0 - 8.9-13.3 Violated in 6 structures by 0.09 A. Peak 9620 from nnoeabs.peaks (0.86, 7.52, 109.57 ppm; 5.83 A): 2 out of 6 assignments used, quality = 0.85: QG2 ILE 15 + HD21 ASN 59 OK 78 94 85 98 4.2-8.1 3.0/9617=84, ~9618=59...(5) QG2 THR 9 + HD21 ASN 59 OK 33 97 85 40 3.8-8.2 9122/9622=22...(3) QG2 ILE 57 - HD21 ASN 59 poor 19 73 75 34 4.5-8.5 9619/1.7=15, 7583/5.4=12 QG1 VAL 32 - HD21 ASN 59 poor 18 90 65 30 5.1-9.7 11485/9622=29 HG13 ILE 57 - HD21 ASN 59 far 0 100 0 - 8.2-12.6 QD1 LEU 14 - HD21 ASN 59 far 0 100 0 - 8.5-12.4 Violated in 3 structures by 0.10 A. Peak 9622 from nnoeabs.peaks (4.97, 7.52, 109.57 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.49: HA ASN 33 + HD21 ASN 59 OK 33 99 80 41 2.4-8.2 9623/1.7=39, 11485/9620=3 HA ASN 10 + HD21 ASN 59 OK 23 98 55 43 3.0-8.2 9623/1.7=23...(3) Violated in 3 structures by 0.04 A. Peak 9623 from nnoeabs.peaks (4.98, 6.75, 109.57 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.57: HA ASN 33 + HD22 ASN 59 OK 43 100 80 54 2.1-9.7 9622/1.7=53 HA ASN 10 + HD22 ASN 59 OK 25 90 50 56 2.1-8.7 9622/1.7=38...(3) Violated in 1 structures by 0.01 A. Peak 9624 from nnoeabs.peaks (5.11, 8.79, 122.38 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.67: HG SER 58 + H ASN 59 OK 67 70 100 96 2.0-3.7 4.0/353=58, 2.8/354=56...(5) Violated in 0 structures by 0.00 A. Peak 9629 from nnoeabs.peaks (4.99, 7.86, 119.74 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.75: HA SER 58 + H ASP 60 OK 63 65 100 96 3.6-4.0 3.6/356=66, 3.0/9632=55...(4) HA ASN 33 + H ASP 60 OK 34 87 90 43 4.3-6.0 9308/9649=43 Violated in 0 structures by 0.00 A. Peak 9630 from nnoeabs.peaks (5.10, 7.86, 119.74 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.83: HG SER 58 + H ASP 60 OK 83 90 100 93 1.9-4.0 9624/356=49, 2.8/9632=49...(6) Violated in 2 structures by 0.01 A. Peak 9632 from nnoeabs.peaks (3.78, 7.86, 119.74 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.99: HB2 SER 58 + H ASP 60 OK 99 100 100 100 3.2-4.0 2.8/9630=77, 354/356=62...(10) HA LYS 65 - H ASP 60 far 0 73 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9633 from nnoeabs.peaks (3.42, 7.86, 119.74 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: HB3 SER 58 + H ASP 60 OK 100 100 100 100 2.3-4.7 1.8/9632=93, 2.8/9630=90...(9) Violated in 0 structures by 0.00 A. Peak 9634 from nnoeabs.peaks (6.24, 7.86, 119.74 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.82: HD22 ASN 8 + H ASP 60 OK 82 84 100 97 3.7-6.2 1.7/10748=80...(4) Violated in 1 structures by 0.04 A. Peak 9635 from nnoeabs.peaks (7.37, 7.86, 119.74 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 8 + H ASP 60 OK 100 100 100 100 3.5-7.3 10748=100, 1.7/9634=96...(4) Violated in 1 structures by 0.05 A. Peak 9646 from nnoeabs.peaks (1.88, 7.86, 119.74 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.89: HB2 LEU 63 + H ASP 60 OK 84 90 100 94 3.1-3.6 3.1/9649=66, 9674/4.0=37...(8) QE MET 67 + H ASP 60 OK 32 100 35 93 5.3-6.4 9735/9630=52...(9) HB ILE 7 - H ASP 60 far 0 92 0 - 9.1-10.0 QE MET 42 - H ASP 60 far 0 73 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 9647 from nnoeabs.peaks (1.61, 7.86, 119.74 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.95: HG LEU 63 + H ASP 60 OK 92 92 100 100 4.1-5.5 2.1/9649=100...(8) HB3 LEU 64 + H ASP 60 OK 40 61 100 65 4.6-6.5 9639/1388=21...(5) HB2 LEU 82 - H ASP 60 far 0 90 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 9648 from nnoeabs.peaks (1.42, 7.86, 119.74 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.99: HB3 LEU 63 + H ASP 60 OK 98 98 100 100 4.3-5.1 3.1/9649=97...(6) HB3 LYS 61 + H ASP 60 OK 27 87 100 31 6.3-7.4 9640/1388=23, 9644/1389=9 HG12 ILE 56 - H ASP 60 far 0 97 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 9649 from nnoeabs.peaks (0.74, 7.86, 119.74 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 63 + H ASP 60 OK 97 99 100 98 2.7-3.7 9645/1389=49...(12) QD2 LEU 6 - H ASP 60 far 0 100 0 - 6.7-8.5 QG2 ILE 7 - H ASP 60 far 0 96 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 9654 from nnoeabs.peaks (6.25, 8.90, 125.82 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.97: HD22 ASN 8 + H LYS 61 OK 97 100 100 97 3.6-5.2 1.7/9655=83...(3) Violated in 0 structures by 0.00 A. Peak 9655 from nnoeabs.peaks (7.38, 8.90, 125.82 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.71: HD21 ASN 8 + H LYS 61 OK 71 73 100 97 4.5-6.8 1.7/9654=85, ~9657=59 Violated in 1 structures by 0.03 A. Peak 9662 from nnoeabs.peaks (4.84, 8.43, 118.92 ppm; 4.72 A): 0 out of 0 assignments used, quality = 0.00: Peak 9663 from nnoeabs.peaks (1.86, 8.43, 118.92 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.89: HB2 LEU 63 + H GLN 62 OK 89 90 100 99 4.2-4.7 4.0/1905=88, 4.6/2082=55...(7) QE MET 67 - H GLN 62 far 0 57 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 9664 from nnoeabs.peaks (1.63, 8.43, 118.92 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.95: HG LEU 63 + H GLN 62 OK 79 87 100 91 4.5-5.1 4730/1905=61...(6) HB3 LEU 64 + H GLN 62 OK 78 100 90 87 5.1-6.0 8100/3.6=53, 3.6/2082=44...(6) HD3 LYS 65 - H GLN 62 poor 18 61 40 72 4.5-7.3 ~8105=25, ~8107=25...(5) HG LEU 64 - H GLN 62 far 0 92 0 - 6.7-8.4 Violated in 16 structures by 0.11 A. Peak 9665 from nnoeabs.peaks (0.75, 8.43, 118.92 ppm; 6.12 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 63 + H GLN 62 OK 98 98 100 100 4.9-5.7 1414/1905=94...(10) QD2 LEU 6 - H GLN 62 far 0 87 0 - 8.3-9.7 QG2 VAL 32 - H GLN 62 far 0 73 0 - 9.3-10.0 QD1 ILE 15 - H GLN 62 far 0 70 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 9671 from nnoeabs.peaks (0.88, 7.67, 120.07 ppm; 5.30 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 38 + H LEU 63 OK 87 87 100 100 5.4-6.5 11527/2.9=73...(10) QG1 VAL 32 + H LEU 63 OK 81 92 100 88 5.2-6.2 10931/4730=66...(6) QG2 THR 9 - H LEU 63 far 0 81 0 - 9.1-10.2 Violated in 1 structures by 0.01 A. Peak 9672 from nnoeabs.peaks (2.57, 7.67, 120.07 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 60 + H LEU 63 OK 100 100 100 100 2.7-4.1 1.8/9673=90, 9628=81...(8) HG2 MET 67 + H LEU 63 OK 26 100 35 75 5.9-9.2 9677/1411=29, ~4711=22...(8) Violated in 0 structures by 0.00 A. Peak 9673 from nnoeabs.peaks (2.72, 7.67, 120.07 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.69: HB2 ASP 60 + H LEU 63 OK 69 70 100 99 2.2-2.9 9685/1414=67...(9) HG3 GLU 37 - H LEU 63 far 0 92 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 9696 from nnoeabs.peaks (0.88, 7.80, 119.36 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 38 + H GLU 66 OK 98 98 100 100 4.8-5.8 11064/4901=64...(13) QG1 VAL 32 - H GLU 66 far 0 73 0 - 6.9-8.2 QG2 VAL 104 - H GLU 66 far 0 100 0 - 9.9-11.1 Violated in 20 structures by 0.85 A. Peak 9698 from nnoeabs.peaks (1.60, 8.39, 118.40 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.75: HG LEU 68 + H MET 67 OK 63 70 100 91 4.8-5.3 5.3/414=58...(9) HG LEU 63 + H MET 67 OK 32 77 50 82 6.3-7.1 3.7/2098=51, 2.1/9701=36...(5) HG2 LYS 73 - H MET 67 far 0 96 0 - 9.5-12.5 Violated in 9 structures by 0.03 A. Peak 9699 from nnoeabs.peaks (0.96, 8.39, 118.40 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 38 + H MET 67 OK 100 100 100 100 2.0-2.9 10998=91, 10991/1442=60...(16) HG13 ILE 56 - H MET 67 far 0 97 0 - 7.3-9.0 Violated in 0 structures by 0.00 A. Peak 9700 from nnoeabs.peaks (0.90, 8.39, 118.40 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 70 + H MET 67 OK 93 97 100 96 3.7-4.2 9769/2.9=63, ~9770=32...(12) QD2 LEU 38 + H MET 67 OK 90 92 100 98 4.3-5.1 2.1/9699=64, 9385/5.0=37...(14) QD2 LEU 70 - H MET 67 far 0 99 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 9701 from nnoeabs.peaks (0.74, 8.39, 118.40 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 6 + H MET 67 OK 97 100 100 97 4.5-5.4 2.1/11560=59...(12) QD1 LEU 63 + H MET 67 OK 88 99 95 93 6.0-6.7 4715/2098=54...(11) QG2 VAL 78 - H MET 67 far 0 87 0 - 8.1-8.8 QD1 LEU 45 - H MET 67 far 0 70 0 - 8.7-10.7 QG2 ILE 54 - H MET 67 far 0 94 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 9756 from nnoeabs.peaks (0.70, 8.47, 118.27 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.87: QD1 LEU 6 + H LEU 68 OK 87 90 100 98 4.4-5.6 9766/1450=62...(10) QG2 ILE 56 - H LEU 68 poor 11 92 25 48 5.5-6.6 10946/7641=27...(4) QD2 LEU 63 - H LEU 68 far 0 99 0 - 6.3-7.1 QD1 LEU 55 - H LEU 68 far 0 57 0 - 9.4-12.6 Violated in 20 structures by 0.70 A. Peak 9757 from nnoeabs.peaks (0.86, 8.47, 118.27 ppm; 6.20 A): 0 out of 1 assignment used, quality = 0.00: QG1 VAL 32 - H LEU 68 far 15 98 15 - 7.3-8.6 Violated in 20 structures by 1.74 A. Peak 9802 from nnoeabs.peaks (7.62, 8.02, 116.52 ppm; 5.03 A): 2 out of 3 assignments used, quality = 0.99: H LEU 74 + H SER 72 OK 92 96 100 96 3.8-4.4 452/448=77, 9790/3.6=57...(12) H GLU 69 + H SER 72 OK 91 92 100 99 4.5-5.2 2.9/2122=86, 3.6/2123=63...(7) H GLN 100 - H SER 72 far 0 98 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9814 from nnoeabs.peaks (0.83, 7.72, 120.73 ppm; 4.76 A): 3 out of 3 assignments used, quality = 0.95: QG2 ILE 71 + H LYS 73 OK 67 70 100 97 4.6-5.7 4.1/448=65, 3.2/2124=51...(11) QD2 LEU 74 + H LYS 73 OK 65 77 100 84 3.8-6.0 4.8/452=60...(10) QD1 LEU 74 + H LYS 73 OK 61 70 100 87 4.0-6.2 4.8/452=60, 9819/2124=26...(14) Violated in 0 structures by 0.00 A. Peak 9827 from nnoeabs.peaks (7.61, 7.37, 118.45 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.98: H LEU 74 + H TYR 76 OK 98 99 100 98 3.3-4.4 462/469=74, 3.8/9832=48...(11) H GLU 69 - H TYR 76 far 0 81 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 9829 from nnoeabs.peaks (1.91, 7.37, 118.45 ppm; 5.44 A): 2 out of 4 assignments used, quality = 0.85: HB ILE 71 + H TYR 76 OK 81 84 100 96 4.2-6.2 2.1/9797=89, 3.2/9834=41...(5) HB2 LYS 73 + H TYR 76 OK 21 81 35 74 6.4-8.0 4.3/9827=68, 2.9/9831=19 HB3 LYS 73 - H TYR 76 far 8 77 10 - 6.6-7.9 HB2 LEU 45 - H TYR 76 far 0 99 0 - 7.3-9.4 Violated in 3 structures by 0.03 A. Peak 9830 from nnoeabs.peaks (1.66, 7.37, 118.45 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9831 from nnoeabs.peaks (1.47, 7.37, 118.45 ppm; 5.05 A): 2 out of 4 assignments used, quality = 0.99: HB2 LEU 74 + H TYR 76 OK 99 100 100 99 2.7-4.2 1.8/9832=81, 4.6/469=67...(6) HG3 LYS 73 + H TYR 76 OK 33 94 50 70 5.6-8.8 7672/9827=38, 464/469=24...(5) HG LEU 4 - H TYR 76 poor 13 65 20 - 5.6-9.9 HB3 LEU 45 - H TYR 76 far 0 70 0 - 7.5-10.2 Violated in 0 structures by 0.00 A. Peak 9832 from nnoeabs.peaks (1.19, 7.37, 118.45 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.97: HB3 LEU 74 + H TYR 76 OK 97 99 100 98 2.5-3.9 4.6/469=67, 3.8/9827=66...(6) Violated in 0 structures by 0.00 A. Peak 9833 from nnoeabs.peaks (0.80, 7.37, 118.45 ppm; 3.84 A): 0 out of 0 assignments used, quality = 0.00: Peak 9834 from nnoeabs.peaks (0.65, 7.37, 118.45 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.95: QD1 ILE 71 + H TYR 76 OK 84 99 90 95 4.6-6.5 3.3/9797=66, 3.2/9829=45...(7) QD1 LEU 4 + H TYR 76 OK 71 97 75 98 5.3-7.2 9037/1503=74...(6) QD1 ILE 54 - H TYR 76 far 0 81 0 - 9.7-13.2 QD1 ILE 56 - H TYR 76 far 0 87 0 - 10.0-11.5 Violated in 17 structures by 0.48 A. Peak 9846 from nnoeabs.peaks (9.09, 8.29, 122.87 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.73: H LEU 4 + H LYS 77 OK 73 94 100 77 4.1-5.1 9034=57, 4.4/9856=46 Violated in 0 structures by 0.00 A. Peak 9856 from nnoeabs.peaks (1.07, 8.29, 122.87 ppm; 6.05 A): 1 out of 2 assignments used, quality = 0.77: QG2 ILE 3 + H LYS 77 OK 77 92 100 84 4.2-5.9 4.4/9846=70...(3) HG2 LYS 2 - H LYS 77 lone 1 100 70 2 5.1-8.5 Violated in 0 structures by 0.00 A. Peak 9870 from nnoeabs.peaks (6.97, 7.83, 124.07 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.92: QD TYR 102 + H VAL 78 OK 89 90 100 100 2.8-4.3 9872/1516=81...(5) HZ PHE 79 + H VAL 78 OK 22 70 80 40 6.6-7.3 9848/485=25, 9853/7694=19 Violated in 0 structures by 0.00 A. Peak 9891 from nnoeabs.peaks (9.08, 8.37, 126.17 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: H LEU 4 + H PHE 79 OK 100 100 100 100 4.6-5.6 9041/491=86, 9033=85...(7) H LEU 81 - H PHE 79 poor 18 73 25 - 6.5-7.0 Violated in 9 structures by 0.08 A. Peak 9892 from nnoeabs.peaks (9.24, 8.37, 126.17 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: H LEU 6 + H PHE 79 OK 100 100 100 100 2.5-3.1 9070=100, 16/9894=67...(10) Violated in 0 structures by 0.00 A. Peak 9894 from nnoeabs.peaks (4.83, 8.37, 126.17 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.95: * HA ILE 5 + H PHE 79 OK 95 100 100 95 2.1-2.6 16/9070=53, 4635/4636=36...(12) HA ILE 3 - H PHE 79 far 0 97 0 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 9899 from nnoeabs.peaks (0.83, 8.37, 126.17 ppm; 4.54 A): 2 out of 7 assignments used, quality = 0.93: QG2 ILE 5 + H PHE 79 OK 82 84 100 98 2.5-4.2 3.2/9894=66, 4.4/9070=49...(10) HG13 ILE 5 + H PHE 79 OK 61 65 100 93 3.9-6.0 3.9/9894=57, 2.1/494=41...(8) QG2 ILE 71 - H PHE 79 poor 15 90 35 47 5.3-7.1 9907/4636=32...(3) QD1 LEU 64 - H PHE 79 far 0 81 0 - 6.9-10.2 QG2 ILE 57 - H PHE 79 far 0 87 0 - 8.0-11.4 QD1 LEU 74 - H PHE 79 far 0 90 0 - 8.7-12.4 QD2 LEU 82 - H PHE 79 far 0 100 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 9900 from nnoeabs.peaks (1.45, 8.37, 126.17 ppm; 4.58 A): 3 out of 7 assignments used, quality = 0.97: HB2 LEU 4 + H PHE 79 OK 73 92 100 79 4.6-5.9 3.8/9891=47...(6) HB3 LEU 6 + H PHE 79 OK 70 90 100 78 4.6-5.3 3.9/9070=55...(6) HB3 LEU 4 + H PHE 79 OK 58 92 80 79 4.8-6.5 3.8/9891=47...(6) HG LEU 4 - H PHE 79 far 0 99 0 - 6.8-7.8 HG12 ILE 7 - H PHE 79 far 0 87 0 - 6.8-8.6 HG LEU 80 - H PHE 79 far 0 98 0 - 7.1-8.2 HG12 ILE 57 - H PHE 79 far 0 84 0 - 9.8-12.7 Violated in 2 structures by 0.00 A. Peak 9916 from nnoeabs.peaks (0.64, 8.60, 123.96 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.79: QD1 ILE 5 + H LEU 80 OK 79 81 100 98 5.4-7.6 11380/496=84...(5) QD1 ILE 71 - H LEU 80 lone 6 73 60 13 6.8-9.4 9801/4.6=8, 11380/496=4 QD1 LEU 4 - H LEU 80 far 0 99 0 - 9.5-10.5 QG1 VAL 22 - H LEU 80 far 0 100 0 - 9.7-11.1 Violated in 10 structures by 0.23 A. Peak 9926 from nnoeabs.peaks (5.23, 8.60, 123.96 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 104 + H LEU 80 OK 100 100 100 100 2.9-4.5 10682=95, 10220/3.8=53...(6) Violated in 2 structures by 0.01 A. Peak 9941 from nnoeabs.peaks (9.22, 9.06, 126.69 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.75: H LEU 6 + H LEU 81 OK 75 77 100 97 4.5-5.6 9071=70, 9939/504=64...(7) Violated in 17 structures by 0.27 A. Peak 9942 from nnoeabs.peaks (7.15, 9.06, 126.69 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.81: QE PHE 120 + H LEU 81 OK 81 81 100 100 3.4-4.6 4738=82, 4739/3.0=68...(11) QE PHE 93 - H LEU 81 poor 15 77 55 36 5.6-7.8 9934/5.0=28, 9069/1540=5 Violated in 0 structures by 0.00 A. Peak 9951 from nnoeabs.peaks (5.18, 9.06, 126.69 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HA ILE 7 + H LEU 81 OK 99 100 100 99 1.9-2.8 9085=50, 30/11384=48...(14) HA VAL 78 - H LEU 81 far 0 77 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 9968 from nnoeabs.peaks (0.89, 8.86, 124.89 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.90: QG2 VAL 104 + H LEU 82 OK 62 92 85 79 2.9-6.1 10973/1545=37...(8) QD2 LEU 90 + H LEU 82 OK 60 87 95 73 4.5-5.9 10072/9974=29...(6) QD1 LEU 90 + H LEU 82 OK 31 94 45 74 4.8-7.0 11574/9974=36...(6) Violated in 13 structures by 0.21 A. Peak 9974 from nnoeabs.peaks (5.58, 8.86, 124.89 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.96: * HA LYS 106 + H LEU 82 OK 96 100 100 96 2.5-5.1 10293=64, 11401/7720=45...(9) Violated in 8 structures by 0.23 A. Peak 9984 from nnoeabs.peaks (8.56, 8.86, 124.89 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.87: H VAL 107 + H LEU 82 OK 87 100 100 87 4.5-6.1 677/9974=82...(3) Violated in 18 structures by 0.59 A. Peak 9985 from nnoeabs.peaks (8.69, 8.86, 124.89 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.66: H ARG 105 + H LEU 82 OK 66 70 100 96 2.8-4.7 10686/511=63, 10247=47...(9) H GLU 98 - H LEU 82 far 0 65 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 9989 from nnoeabs.peaks (8.63, 8.44, 122.15 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.95: H ASN 8 + H GLN 83 OK 95 99 100 95 4.7-6.0 9094/518=69...(5) H GLN 85 - H GLN 83 far 0 84 0 - 6.9-7.2 H GLU 87 - H GLN 83 far 0 87 0 - 9.9-12.0 Violated in 20 structures by 0.78 A. Peak 9997 from nnoeabs.peaks (4.31, 8.44, 122.15 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.87: HB THR 9 + H GLN 83 OK 87 90 100 97 4.1-5.7 3.0/10691=65...(6) Violated in 16 structures by 0.47 A. Peak 10002 from nnoeabs.peaks (4.77, 7.20, 110.45 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.77: HA THR 108 + HE21 GLN 83 OK 58 77 100 76 2.4-5.3 3.2/10334=30...(8) HA THR 108 + HE22 GLN 83 OK 44 77 75 76 3.8-7.0 10001/3.5=27...(8) Violated in 5 structures by 0.11 A. Peak 10003 from nnoeabs.peaks (2.89, 8.44, 122.15 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.93: HB2 ASN 8 + H GLN 83 OK 93 99 100 94 4.0-5.7 9971/522=65...(5) HB3 ASN 59 - H GLN 83 far 0 73 0 - 9.4-12.2 Violated in 16 structures by 0.53 A. Peak 10014 from nnoeabs.peaks (1.25, 7.20, 110.45 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.98: QG2 THR 108 + HE21 GLN 83 OK 95 99 100 95 4.3-6.8 10334=67, 3.2/10002=49...(8) QG2 THR 108 + HE22 GLN 83 OK 70 99 75 94 5.4-8.2 10334/1.7=60...(8) Violated in 6 structures by 0.14 A. Peak 10015 from nnoeabs.peaks (0.87, 7.20, 110.45 ppm; 4.45 A): 5 out of 10 assignments used, quality = 1.00: QG2 VAL 107 + HE21 GLN 83 OK 95 99 100 95 2.3-5.7 6547/3.5=37...(15) QG2 VAL 107 + HE22 GLN 83 OK 66 99 70 95 2.6-6.9 6547/3.5=37...(14) QD1 LEU 14 + HE22 GLN 83 OK 59 84 75 94 3.6-6.8 2.1/11005=35...(14) QD1 LEU 14 + HE21 GLN 83 OK 59 84 75 94 4.7-7.0 2.1/11005=34, ~11005=30...(13) QD2 LEU 90 + HE21 GLN 83 OK 27 92 35 83 5.0-7.4 2.1/11576=49...(9) QG2 THR 9 - HE22 GLN 83 far 9 94 10 - 5.9-7.8 QD2 LEU 90 - HE22 GLN 83 far 0 92 0 - 6.1-8.4 QG2 THR 9 - HE21 GLN 83 far 0 94 0 - 6.2-8.4 QG2 VAL 117 - HE22 GLN 83 far 0 97 0 - 7.7-10.2 QG2 VAL 117 - HE21 GLN 83 far 0 97 0 - 8.4-9.7 Violated in 2 structures by 0.00 A. Peak 10016 from nnoeabs.peaks (0.77, 7.20, 110.45 ppm; 3.97 A): 4 out of 11 assignments used, quality = 1.00: QD2 LEU 14 + HE22 GLN 83 OK 95 98 100 97 1.8-4.5 11007/3.5=53...(15) QD2 LEU 14 + HE21 GLN 83 OK 95 98 100 97 3.0-5.0 11007/3.5=53...(14) QG1 VAL 107 + HE21 GLN 83 OK 91 98 100 93 3.6-5.4 6552/3.5=30...(16) QG1 VAL 107 + HE22 GLN 83 OK 54 98 60 92 4.1-5.9 6552/3.5=30...(16) QD1 ILE 15 - HE22 GLN 83 far 0 99 0 - 7.9-10.3 QD1 LEU 82 - HE21 GLN 83 far 0 94 0 - 8.0-10.0 QD1 ILE 15 - HE21 GLN 83 far 0 99 0 - 8.4-11.1 QD1 LEU 82 - HE22 GLN 83 far 0 94 0 - 8.6-10.7 QD1 LEU 80 - HE21 GLN 83 far 0 98 0 - 9.8-13.0 QD2 LEU 80 - HE21 GLN 83 far 0 97 0 - 9.9-13.7 QD1 ILE 7 - HE22 GLN 83 far 0 100 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 10019 from nnoeabs.peaks (1.24, 8.21, 124.45 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 108 + H ASP 84 OK 97 97 100 100 3.5-5.4 3.2/10023=92, 10336=73...(10) HG3 LYS 61 - H ASP 84 far 0 73 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 10020 from nnoeabs.peaks (0.89, 8.21, 124.45 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 90 + H ASP 84 OK 95 98 100 97 2.1-2.7 10026/2.9=52, 10976=47...(11) QD1 LEU 90 + H ASP 84 OK 69 77 100 89 2.7-4.9 2.1/10976=43, 11577=31...(7) QG2 VAL 104 - H ASP 84 far 0 99 0 - 7.2-9.9 Violated in 0 structures by 0.00 A. Peak 10021 from nnoeabs.peaks (0.77, 8.21, 124.45 ppm; 4.55 A): 1 out of 7 assignments used, quality = 0.96: QG1 VAL 107 + H ASP 84 OK 96 98 100 98 3.0-3.9 4.2/11403=45...(15) QD1 LEU 82 - H ASP 84 poor 7 94 25 30 4.9-6.7 523/4.5=30 QD2 LEU 14 - H ASP 84 far 0 98 0 - 6.1-7.6 QD1 LEU 80 - H ASP 84 far 0 98 0 - 7.5-11.0 QD2 LEU 80 - H ASP 84 far 0 97 0 - 7.6-11.9 QD2 LEU 64 - H ASP 84 far 0 81 0 - 9.9-12.3 QD1 ILE 7 - H ASP 84 far 0 100 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 10022 from nnoeabs.peaks (1.66, 8.21, 124.45 ppm; 5.35 A): 0 out of 0 assignments used, quality = 0.00: Peak 10023 from nnoeabs.peaks (4.78, 8.21, 124.45 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.94: * HA THR 108 + H ASP 84 OK 94 100 100 94 2.7-4.2 2.9/11403=44...(9) Violated in 2 structures by 0.01 A. Peak 10029 from nnoeabs.peaks (0.88, 8.62, 120.20 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 90 + H GLN 85 OK 99 100 100 99 4.4-5.2 10026/533=78...(9) QG2 VAL 107 - H GLN 85 far 0 77 0 - 6.6-8.3 Violated in 19 structures by 0.21 A. Peak 10045 from nnoeabs.peaks (1.24, 8.69, 120.51 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.97: QG2 THR 108 + H ASP 86 OK 97 97 100 100 3.8-6.2 10338=92, 10331/3.6=83...(7) Violated in 1 structures by 0.02 A. Peak 10046 from nnoeabs.peaks (0.90, 8.69, 120.51 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.82: QD2 LEU 90 + H ASP 86 OK 59 70 100 86 3.6-5.2 10026/11408=48...(9) QD1 LEU 90 + H ASP 86 OK 55 99 100 55 3.9-6.6 11570/11298=45, 10024/11297=18 Violated in 0 structures by 0.00 A. Peak 10050 from nnoeabs.peaks (0.88, 8.64, 123.60 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 90 + H GLU 87 OK 98 98 100 100 4.5-6.4 10056/1574=87...(10) QG2 VAL 107 - H GLU 87 far 0 96 0 - 8.4-11.1 Violated in 17 structures by 0.64 A. Peak 10058 from nnoeabs.peaks (4.70, 8.53, 118.84 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.68: HA ASP 86 + H ASN 88 OK 68 92 100 74 3.6-4.7 7741/548=59, 10071/1931=37 Violated in 16 structures by 0.35 A. Peak 10069 from nnoeabs.peaks (1.79, 8.22, 120.95 ppm; 6.15 A): 1 out of 1 assignment used, quality = 0.91: HB2 LEU 90 + H GLU 89 OK 91 92 100 100 4.3-6.2 4.0/1932=93, 4.6/2138=72...(5) Violated in 1 structures by 0.00 A. Peak 10071 from nnoeabs.peaks (4.69, 8.22, 120.95 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.87: HA ASP 86 + H GLU 89 OK 87 100 100 87 4.5-5.4 10058/1931=63...(3) Violated in 11 structures by 0.11 A. Peak 10077 from nnoeabs.peaks (2.94, 7.94, 119.03 ppm; 5.34 A): 2 out of 5 assignments used, quality = 0.73: HE3 LYS 106 + H GLU 91 OK 53 87 95 64 3.7-7.5 11469/1599=24...(6) HE2 LYS 106 + H GLU 91 OK 42 90 75 62 2.7-7.6 11572/571=24...(6) HB2 ASP 86 - H GLU 91 poor 10 81 50 24 5.5-8.1 10037/2138=19, 9309/7820=4 HE2 LYS 96 - H GLU 91 far 0 90 0 - 8.8-11.9 HE3 LYS 96 - H GLU 91 far 0 90 0 - 8.8-11.7 Violated in 5 structures by 0.22 A. Peak 10079 from nnoeabs.peaks (3.04, 8.09, 118.67 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.90: HB3 PHE 93 + H GLU 92 OK 90 94 100 96 5.1-5.7 1612/4.6=80, 4.3/2146=72...(5) Violated in 0 structures by 0.00 A. Peak 10096 from nnoeabs.peaks (1.65, 8.61, 118.94 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.31: HG LEU 90 + H LYS 94 OK 31 98 40 80 4.5-7.2 ~10101=41, 4.3/2155=34...(6) HD3 LYS 65 - H LYS 94 far 0 98 0 - 7.7-14.1 HD2 LYS 65 - H LYS 94 far 0 94 0 - 8.9-14.5 HG LEU 64 - H LYS 94 far 0 100 0 - 9.8-12.1 Violated in 20 structures by 1.81 A. Peak 10097 from nnoeabs.peaks (1.87, 8.61, 118.94 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.82: HG2 ARG 95 + H LYS 94 OK 82 96 100 86 3.7-4.9 1631/1937=77...(4) HB2 ARG 105 - H LYS 94 far 0 90 0 - 9.4-11.2 Violated in 3 structures by 0.01 A. Peak 10098 from nnoeabs.peaks (1.94, 8.61, 118.94 ppm; 4.67 A): 0 out of 2 assignments used, quality = 0.00: HB VAL 104 - H LYS 94 far 5 94 5 - 5.9-7.2 HB2 LYS 65 - H LYS 94 far 0 100 0 - 9.7-12.5 Violated in 20 structures by 1.95 A. Peak 10099 from nnoeabs.peaks (0.90, 8.61, 118.94 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.93: QG2 VAL 104 + H LYS 94 OK 69 77 100 90 4.0-5.4 ~10236=39, 10979/1620=28...(11) QD2 LEU 90 + H LYS 94 OK 56 70 85 95 4.8-5.9 2.1/10096=72, ~10101=42...(10) QD1 LEU 90 + H LYS 94 OK 49 99 50 98 2.9-6.6 2.1/10096=72...(12) Violated in 5 structures by 0.03 A. Peak 10100 from nnoeabs.peaks (0.78, 8.61, 118.94 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.91: QD1 LEU 82 + H LYS 94 OK 91 99 95 96 3.6-5.5 11491/3.0=50...(10) QD2 LEU 80 - H LYS 94 far 10 98 10 - 5.1-9.0 QD1 LEU 80 - H LYS 94 far 0 97 0 - 5.7-8.1 QD2 LEU 64 - H LYS 94 far 0 100 0 - 7.5-9.9 QG1 VAL 107 - H LYS 94 far 0 61 0 - 7.8-10.2 QD1 LEU 81 - H LYS 94 far 0 97 0 - 9.9-11.3 Violated in 2 structures by 0.09 A. Peak 10164 from nnoeabs.peaks (3.95, 7.29, 110.23 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.76: HA ILE 97 + HE21 GLN 100 OK 76 87 90 97 3.0-7.4 10165/1.7=65...(7) HA MET 67 - HE21 GLN 100 far 0 100 0 - 8.8-13.1 Violated in 11 structures by 0.47 A. Peak 10165 from nnoeabs.peaks (3.94, 6.75, 110.23 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.93: HA ILE 97 + HE22 GLN 100 OK 93 100 95 98 3.9-8.2 10164/1.7=75...(7) HA MET 67 - HE22 GLN 100 far 0 97 0 - 7.7-13.5 Violated in 15 structures by 0.63 A. Peak 10166 from nnoeabs.peaks (4.33, 6.89, 117.99 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.96: HA GLU 98 + H TYR 102 OK 96 100 100 96 2.5-5.9 11168=87, 10159/4.6=42 HA SER 99 - H TYR 102 far 14 94 15 - 5.3-7.4 Violated in 9 structures by 0.18 A. Peak 10169 from nnoeabs.peaks (0.69, 6.89, 117.99 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 97 + H TYR 102 OK 97 97 100 100 2.9-4.1 4693/1680=95, 10151=95...(7) Violated in 0 structures by 0.00 A. Peak 10215 from nnoeabs.peaks (0.68, 8.32, 122.86 ppm; 5.91 A): 1 out of 2 assignments used, quality = 0.98: QG2 ILE 97 + H GLU 103 OK 98 98 100 100 4.4-5.5 10177/652=83...(5) QD1 ILE 116 - H GLU 103 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 10247 from nnoeabs.peaks (8.85, 8.71, 124.86 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.76: H LEU 82 + H ARG 105 OK 76 84 100 91 2.8-4.7 3.6/10685=74...(9) Violated in 1 structures by 0.02 A. Peak 10249 from nnoeabs.peaks (7.02, 8.71, 124.86 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 120 + H ARG 105 OK 100 100 100 100 2.8-5.0 4701=100, 4711/10685=67...(9) Violated in 3 structures by 0.02 A. Peak 10267 from nnoeabs.peaks (0.79, 8.71, 124.86 ppm; 4.06 A): 4 out of 6 assignments used, quality = 1.00: QD1 LEU 81 + H ARG 105 OK 93 99 95 98 4.2-5.6 5538/10685=70...(10) QD2 LEU 80 + H ARG 105 OK 86 94 95 97 2.4-5.9 11091/667=57...(12) QD1 LEU 82 + H ARG 105 OK 85 97 100 88 3.1-4.8 4.6/10247=39...(13) QD1 LEU 80 + H ARG 105 OK 83 92 95 95 1.8-5.6 11092/667=66...(11) QD1 ILE 7 - H ARG 105 far 0 65 0 - 6.5-9.0 QD2 LEU 64 - H ARG 105 far 0 100 0 - 6.7-9.4 Violated in 0 structures by 0.00 A. Peak 10269 from nnoeabs.peaks (1.29, 8.71, 124.86 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.97: HB3 LEU 80 + H ARG 105 OK 97 98 100 99 2.2-5.9 11088/667=76...(9) Violated in 12 structures by 0.35 A. Peak 10279 from nnoeabs.peaks (0.88, 8.81, 121.50 ppm; 4.61 A): 3 out of 5 assignments used, quality = 0.99: QD2 LEU 90 + H LYS 106 OK 99 100 100 99 4.4-5.9 10072/3.0=59...(15) QG2 VAL 104 + H LYS 106 OK 34 100 45 76 4.5-6.4 667/1948=62...(7) QG2 VAL 107 + H LYS 106 OK 24 84 30 96 5.4-6.4 6545/4.6=44...(9) QG2 VAL 117 - H LYS 106 far 0 73 0 - 8.3-9.2 QG2 THR 9 - H LYS 106 far 0 65 0 - 10.0-12.3 Violated in 6 structures by 0.02 A. Peak 10280 from nnoeabs.peaks (0.77, 8.81, 121.50 ppm; 4.44 A): 3 out of 7 assignments used, quality = 0.97: QG1 VAL 107 + H LYS 106 OK 79 94 90 94 4.2-6.0 1714/4.6=49...(10) QD1 LEU 82 + H LYS 106 OK 78 98 90 88 4.5-6.3 10283/3.0=39, ~9976=27...(10) QD1 LEU 81 + H LYS 106 OK 33 70 60 79 5.3-6.2 11401/3.0=42...(6) QD2 LEU 80 - H LYS 106 far 15 99 15 - 5.4-9.4 QD1 LEU 80 - H LYS 106 far 5 100 5 - 5.1-9.0 QD1 ILE 7 - H LYS 106 far 0 99 0 - 8.3-11.7 QD2 LEU 64 - H LYS 106 far 0 90 0 - 9.9-11.9 Violated in 5 structures by 0.04 A. Peak 10281 from nnoeabs.peaks (0.66, 8.81, 121.50 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.65: QD1 ILE 116 + H LYS 106 OK 65 70 100 93 3.8-6.0 10277/7846=55...(7) QG2 ILE 97 - H LYS 106 far 0 61 0 - 7.4-9.8 Violated in 4 structures by 0.03 A. Peak 10302 from nnoeabs.peaks (5.26, 8.55, 118.79 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.95: * HA GLN 83 + H VAL 107 OK 95 100 100 95 2.2-3.4 9990=57, 10305/6545=44...(9) HA LEU 81 - H VAL 107 far 0 94 0 - 6.2-7.6 Violated in 0 structures by 0.00 A. Peak 10346 from nnoeabs.peaks (4.61, 8.04, 122.57 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 107 + H ASP 109 OK 98 99 100 98 4.0-4.3 687/691=74, 3.2/10354=68...(4) Violated in 19 structures by 0.09 A. Peak 10351 from nnoeabs.peaks (2.32, 8.04, 122.57 ppm; 5.87 A): 3 out of 3 assignments used, quality = 0.99: HG2 GLN 83 + H ASP 109 OK 80 87 100 92 4.3-6.5 10000/3.6=67...(7) HG2 GLU 112 + H ASP 109 OK 77 84 100 92 3.6-6.0 11464/10355=37...(8) HG3 GLU 112 + H ASP 109 OK 73 81 100 91 3.7-6.1 10357/1721=34...(8) Violated in 0 structures by 0.00 A. Peak 10352 from nnoeabs.peaks (2.11, 8.04, 122.57 ppm; 3.43 A): 2 out of 4 assignments used, quality = 0.66: HB VAL 107 + H ASP 109 OK 57 92 65 95 4.6-5.4 2.1/10354=67...(7) HG3 GLN 83 + H ASP 109 OK 21 90 35 67 4.5-6.7 6547/10354=24...(8) HB2 GLU 111 - H ASP 109 far 0 97 0 - 6.0-7.9 HB2 GLU 87 - H ASP 109 far 0 87 0 - 9.5-13.2 Violated in 20 structures by 0.97 A. Peak 10354 from nnoeabs.peaks (0.87, 8.04, 122.57 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.98: QG2 VAL 107 + H ASP 109 OK 98 99 100 99 2.0-2.8 10297=58, 7858/691=49...(18) QD2 LEU 90 - H ASP 109 far 0 92 0 - 6.4-7.9 QD1 LEU 14 - H ASP 109 far 0 84 0 - 6.5-7.6 QG2 VAL 117 - H ASP 109 far 0 97 0 - 8.9-9.6 QG2 THR 9 - H ASP 109 far 0 94 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 10355 from nnoeabs.peaks (0.77, 8.04, 122.57 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.94: QG1 VAL 107 + H ASP 109 OK 94 94 100 100 3.3-5.1 2.1/10354=90...(15) QD2 LEU 14 - H ASP 109 far 0 94 0 - 6.3-7.3 QD1 LEU 81 - H ASP 109 far 0 70 0 - 7.4-8.8 QD1 LEU 82 - H ASP 109 far 0 98 0 - 8.6-11.2 Violated in 14 structures by 0.42 A. Peak 10365 from nnoeabs.peaks (2.10, 8.70, 122.85 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.98: HB2 GLU 111 + H ASP 110 OK 93 100 100 93 4.3-5.3 6597/1953=74...(4) HB2 GLU 112 + H ASP 110 OK 52 84 70 89 4.8-6.5 4.0/2180=60...(9) HB3 GLU 112 + H ASP 110 OK 46 81 65 88 4.9-7.3 4.0/2180=60...(9) HB VAL 107 - H ASP 110 far 0 61 0 - 7.8-8.3 Violated in 12 structures by 0.04 A. Peak 10367 from nnoeabs.peaks (1.41, 8.70, 122.85 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 113 + H ASP 110 OK 100 100 100 100 4.7-5.1 8233/3.0=90...(16) HB3 GLN 83 - H ASP 110 far 0 97 0 - 6.8-8.1 HB3 LEU 114 - H ASP 110 far 0 73 0 - 7.5-9.5 HG3 LYS 17 - H ASP 110 far 0 73 0 - 9.2-10.3 Violated in 16 structures by 0.10 A. Peak 10368 from nnoeabs.peaks (0.86, 8.70, 122.85 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 14 + H ASP 110 OK 99 99 100 100 5.0-5.7 9168/3.0=78...(11) QG2 VAL 107 + H ASP 110 OK 96 99 100 97 4.6-5.6 10297/4.6=49...(12) QG2 VAL 117 - H ASP 110 far 0 100 0 - 9.0-9.5 QD2 LEU 90 - H ASP 110 far 0 61 0 - 9.0-10.5 QG2 THR 9 - H ASP 110 far 0 100 0 - 9.0-10.2 Violated in 11 structures by 0.15 A. Peak 10369 from nnoeabs.peaks (0.76, 8.70, 122.85 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 14 + H ASP 110 OK 99 100 100 99 4.1-5.5 9169/3.0=75, ~9168=55...(8) QG1 VAL 107 + H ASP 110 OK 28 100 30 92 5.0-7.1 10355/695=47...(10) QG2 ILE 7 - H ASP 110 far 0 61 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10395 from nnoeabs.peaks (2.82, 8.21, 119.14 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASP 109 + H GLU 111 OK 99 99 100 100 2.9-4.3 697/1953=97...(8) Violated in 0 structures by 0.00 A. Peak 10397 from nnoeabs.peaks (1.65, 8.23, 121.40 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.97: HD3 LYS 115 + H GLU 112 OK 69 90 85 91 4.6-7.3 10461/3.0=44, ~10460=34...(8) HG LEU 114 + H GLU 112 OK 69 100 70 98 4.2-7.7 11192/3.6=69...(9) HD2 LYS 115 + H GLU 112 OK 66 96 75 92 4.4-7.8 11463/3.0=41, ~10461=39...(9) HB ILE 116 - H GLU 112 far 0 65 0 - 7.1-8.6 Violated in 1 structures by 0.03 A. Peak 10398 from nnoeabs.peaks (1.42, 8.23, 121.40 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.96: QB ALA 113 + H GLU 112 OK 96 97 100 99 4.1-4.5 2.9/709=80, 3.7/2190=46...(15) HB3 GLN 83 - H GLU 112 far 0 100 0 - 7.1-8.3 HG3 LYS 17 - H GLU 112 far 0 87 0 - 9.5-10.9 Violated in 19 structures by 0.23 A. Peak 10399 from nnoeabs.peaks (0.88, 8.23, 121.40 ppm; 4.25 A): 2 out of 5 assignments used, quality = 0.96: QG2 VAL 107 + H GLU 112 OK 93 96 100 98 3.4-4.3 2.1/10400=41...(15) QD1 LEU 14 + H GLU 112 OK 39 70 70 80 5.2-6.0 7357=24, 2.1/7358=23...(10) QG2 VAL 117 - H GLU 112 far 0 90 0 - 7.3-7.7 QD2 LEU 90 - H GLU 112 far 0 98 0 - 9.2-10.7 QG2 THR 9 - H GLU 112 far 0 84 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 10400 from nnoeabs.peaks (0.78, 8.23, 121.40 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.77: QG1 VAL 107 + H GLU 112 OK 65 70 100 94 4.7-6.1 2.1/10399=59...(9) QD2 LEU 14 + H GLU 112 OK 35 70 65 77 5.8-6.9 2.1/7357=37...(5) QD1 LEU 81 - H GLU 112 far 0 94 0 - 6.7-8.0 Violated in 18 structures by 0.42 A. Peak 10402 from nnoeabs.peaks (2.72, 8.23, 121.40 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.92: HB3 ASP 109 + H GLU 112 OK 92 96 100 96 1.9-4.2 1.8/10403=59...(12) Violated in 7 structures by 0.09 A. Peak 10403 from nnoeabs.peaks (2.81, 8.23, 121.40 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASP 109 + H GLU 112 OK 99 100 100 100 1.9-3.7 1.8/10402=90...(11) Violated in 0 structures by 0.00 A. Peak 10411 from nnoeabs.peaks (8.69, 8.12, 120.32 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: H ASP 110 + H ALA 113 OK 98 98 100 100 4.7-5.1 3.0/2187=98, 2180/709=97...(12) H ARG 105 - H VAL 117 far 0 72 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 10430 from nnoeabs.peaks (1.74, 8.12, 120.23 ppm; 4.17 A): 3 out of 9 assignments used, quality = 0.93: HB2 LEU 114 + H ALA 113 OK 70 95 75 98 4.2-6.5 1744/715=69, 3.0/8256=26...(17) HG2 ARG 118 + H VAL 117 OK 66 90 100 74 4.0-4.7 4.5/742=51, 751/2215=32...(5) HB2 LEU 114 + H VAL 117 OK 32 99 45 71 5.4-6.1 3.0/2206=54, 4.3/2198=23...(4) HG3 ARG 105 - H ALA 113 far 0 81 0 - 7.4-11.0 HG3 ARG 105 - H VAL 117 far 0 87 0 - 7.5-8.7 HG2 ARG 118 - H ALA 113 far 0 84 0 - 7.9-9.5 HG2 LYS 17 - H ALA 113 far 0 72 0 - 8.1-10.8 HG2 LYS 17 - H VAL 117 far 0 77 0 - 8.9-12.4 HB3 LEU 82 - H ALA 113 far 0 96 0 - 9.7-10.6 Violated in 4 structures by 0.01 A. Peak 10431 from nnoeabs.peaks (1.91, 8.12, 120.23 ppm; 4.30 A): 3 out of 8 assignments used, quality = 0.94: HB2 LEU 81 + H VAL 117 OK 78 94 95 87 4.4-6.1 3.1/1770=30, 9961/738=27...(9) HB2 LYS 115 + H VAL 117 OK 55 65 100 84 4.6-5.5 4.4/735=57, 3.0/1740=26...(6) HB2 LYS 115 + H ALA 113 OK 36 60 90 66 4.9-6.9 4.0/2198=26, 4.4/1959=25...(7) HG2 MET 121 - H VAL 117 far 0 97 0 - 6.7-9.5 HB ILE 7 - H VAL 117 far 0 65 0 - 7.7-9.3 HB3 LYS 17 - H ALA 113 far 0 81 0 - 7.7-10.2 HB2 LEU 81 - H ALA 113 far 0 89 0 - 8.2-9.5 HB3 LYS 17 - H VAL 117 far 0 87 0 - 8.3-11.1 Violated in 6 structures by 0.05 A. Peak 10442 from nnoeabs.peaks (0.87, 7.74, 116.90 ppm; 3.97 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 107 + H LEU 114 OK 94 99 100 95 4.1-5.2 10898/3.7=61...(9) QG2 VAL 117 + H LEU 114 OK 94 97 100 97 4.0-4.2 10515/3.0=61...(11) QD1 LEU 14 + H LEU 114 OK 77 84 100 92 2.5-3.7 11519/6678=42...(12) QG2 THR 9 - H LEU 114 far 0 94 0 - 6.8-8.2 QG2 VAL 22 - H LEU 114 far 0 65 0 - 8.8-10.3 QD2 LEU 90 - H LEU 114 far 0 92 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 10443 from nnoeabs.peaks (1.94, 7.74, 116.90 ppm; 5.11 A): 3 out of 4 assignments used, quality = 1.00: HB3 LYS 115 + H LEU 114 OK 97 100 100 97 4.3-6.3 4.0/718=81, 4.4/2193=54...(9) HB2 LYS 115 + H LEU 114 OK 93 96 100 97 4.4-6.1 4.0/718=81, 4.4/2193=54...(9) HB3 LYS 17 + H LEU 114 OK 38 81 85 56 5.4-8.0 10914/6692=49...(3) HB2 LEU 81 - H LEU 114 far 0 70 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 10444 from nnoeabs.peaks (2.07, 7.74, 116.90 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.86: HB3 GLU 112 + H LEU 114 OK 68 73 100 92 4.8-5.9 4.6/715=64, 4.0/2190=56...(5) HB2 GLU 112 + H LEU 114 OK 57 70 90 92 4.9-6.4 4.6/715=64, 4.0/2190=56...(5) HB2 GLU 13 - H LEU 114 far 0 100 0 - 7.7-9.3 HG2 GLU 119 - H LEU 114 far 0 94 0 - 8.9-10.8 Violated in 8 structures by 0.08 A. Peak 10451 from nnoeabs.peaks (0.86, 7.62, 119.07 ppm; 4.61 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 117 + H LYS 115 OK 96 100 100 96 3.7-4.0 10515/3.6=71...(9) QD1 LEU 14 + H LYS 115 OK 85 99 100 86 4.5-5.6 11519/7884=36...(9) QG2 VAL 107 + H LYS 115 OK 85 99 100 86 4.8-5.3 10898/10408=42...(9) QG2 THR 9 - H LYS 115 far 0 100 0 - 8.4-9.9 QG2 VAL 22 - H LYS 115 far 0 94 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 10478 from nnoeabs.peaks (0.79, 8.00, 120.61 ppm; 4.44 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 81 + H ILE 116 OK 99 99 100 100 3.1-3.6 11637/1761=89...(13) QD1 ILE 7 - H ILE 116 far 0 65 0 - 6.8-8.9 QD1 LEU 82 - H ILE 116 far 0 97 0 - 8.0-10.9 QD1 LEU 80 - H ILE 116 far 0 92 0 - 8.9-11.9 QD2 LEU 80 - H ILE 116 far 0 94 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 10479 from nnoeabs.peaks (1.42, 8.00, 120.61 ppm; 5.17 A): 1 out of 3 assignments used, quality = 0.89: QB ALA 113 + H ILE 116 OK 89 90 100 99 4.4-4.9 2.1/8251=73, 3.7/2193=63...(13) HB3 GLN 83 - H ILE 116 far 0 100 0 - 7.2-8.1 HG3 LYS 17 - H ILE 116 far 0 96 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 10480 from nnoeabs.peaks (2.08, 8.00, 120.61 ppm; 4.74 A): 3 out of 6 assignments used, quality = 0.98: HB3 GLU 112 + H ILE 116 OK 86 100 95 90 4.4-6.2 3.0/8249=62, 4.6/1959=28...(9) HB2 GLU 112 + H ILE 116 OK 66 100 75 88 5.4-6.4 3.0/8249=62, 4.6/1959=28...(8) HG2 GLU 119 + H ILE 116 OK 60 96 65 97 4.9-6.8 10549/3.0=57...(9) HB2 GLU 111 - H ILE 116 far 0 77 0 - 7.5-8.6 HB3 PHE 79 - H ILE 116 far 0 94 0 - 9.2-10.5 HB3 MET 121 - H ILE 116 far 0 97 0 - 9.2-11.3 Violated in 6 structures by 0.10 A. Peak 10544 from nnoeabs.peaks (0.71, 7.92, 122.42 ppm; 5.77 A): 2 out of 4 assignments used, quality = 0.98: QG1 VAL 117 + H GLU 119 OK 92 92 100 100 4.8-5.3 4.3/747=88, 4.0/2215=79...(5) QD2 LEU 81 + H GLU 119 OK 81 99 100 82 6.4-6.9 9959/10545=58...(3) QG2 ILE 18 - H GLU 119 lone 1 97 25 6 6.4-8.9 10541/3.6=5 HG13 ILE 18 - H GLU 119 far 0 65 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 10545 from nnoeabs.peaks (0.03, 7.92, 122.42 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.84: QG2 ILE 116 + H GLU 119 OK 84 84 100 100 4.4-5.0 3.2/2216=92, 4.3/2215=68...(9) Violated in 0 structures by 0.00 A. Peak 10546 from nnoeabs.peaks (1.87, 7.92, 122.42 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.98: HB3 ARG 118 + H GLU 119 OK 98 100 100 98 2.5-3.7 1.8/749=61, 4.2=60...(6) HB2 ARG 105 - H GLU 119 far 0 81 0 - 7.8-9.2 Violated in 11 structures by 0.06 A. Peak 10551 from nnoeabs.peaks (0.85, 8.83, 119.60 ppm; 5.01 A): 2 out of 6 assignments used, quality = 0.99: QG2 ILE 5 + H PHE 120 OK 98 99 100 99 4.4-5.4 4707/1792=79...(11) QG2 VAL 117 + H PHE 120 OK 61 61 100 99 5.2-5.5 3.2/2221=81...(7) HG13 ILE 5 - H PHE 120 far 15 100 15 - 6.2-8.1 QG2 VAL 22 - H PHE 120 far 0 96 0 - 8.2-11.0 QG2 ILE 57 - H PHE 120 far 0 98 0 - 9.3-13.0 QD1 LEU 14 - H PHE 120 far 0 84 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10552 from nnoeabs.peaks (0.73, 8.83, 119.60 ppm; 5.38 A): 1 out of 6 assignments used, quality = 0.97: QG1 VAL 117 + H PHE 120 OK 97 97 100 100 4.1-4.6 3.2/2221=88, 746/2213=70...(9) QG2 ILE 18 - H PHE 120 far 14 92 15 - 6.7-9.0 QD2 LEU 55 - H PHE 120 far 0 96 0 - 7.2-9.8 QG2 ILE 7 - H PHE 120 far 0 73 0 - 7.8-8.9 HG13 ILE 18 - H PHE 120 far 0 100 0 - 8.5-10.2 QG2 VAL 78 - H PHE 120 far 0 100 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10553 from nnoeabs.peaks (0.62, 8.83, 119.60 ppm; 5.75 A): 2 out of 4 assignments used, quality = 0.99: QD1 ILE 5 + H PHE 120 OK 99 99 100 100 4.1-5.7 4709/1792=85...(13) QG1 VAL 22 + H PHE 120 OK 30 61 80 61 5.8-8.5 10590/761=22...(8) QD1 ILE 18 - H PHE 120 far 0 98 0 - 7.8-9.2 QG1 VAL 78 - H PHE 120 far 0 99 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 10554 from nnoeabs.peaks (0.04, 8.83, 119.60 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 116 + H PHE 120 OK 100 100 100 100 4.1-4.8 4710/1792=65...(12) Violated in 0 structures by 0.00 A. Peak 10587 from nnoeabs.peaks (1.50, 8.32, 116.60 ppm; 5.75 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 124 + H MET 121 OK 100 100 100 100 4.7-5.2 8304/2.9=95...(7) Violated in 0 structures by 0.00 A. Peak 10588 from nnoeabs.peaks (0.85, 8.32, 116.60 ppm; 6.04 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 5 + H MET 121 OK 99 99 100 100 3.8-5.0 4707/4.6=90...(11) HG13 ILE 5 + H MET 121 OK 99 100 100 99 4.6-6.4 2.1/10590=73...(9) QG2 VAL 117 + H MET 121 OK 60 61 100 98 5.7-6.3 3.2/2227=91...(6) QG2 VAL 22 - H MET 121 far 14 96 15 - 7.0-9.7 QG2 ILE 57 - H MET 121 far 0 98 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 10589 from nnoeabs.peaks (0.74, 8.32, 116.60 ppm; 5.05 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 55 - H MET 121 far 10 99 10 - 5.9-8.7 QG2 ILE 7 - H MET 121 far 0 100 0 - 8.2-9.5 HG13 ILE 18 - H MET 121 far 0 87 0 - 8.5-10.2 QG2 VAL 78 - H MET 121 far 0 73 0 - 9.0-10.0 Violated in 20 structures by 1.54 A. Peak 10590 from nnoeabs.peaks (0.62, 8.32, 116.60 ppm; 4.40 A): 2 out of 5 assignments used, quality = 1.00: QD1 ILE 5 + H MET 121 OK 99 100 100 99 2.8-4.5 11352/764=52...(14) QG1 VAL 22 + H MET 121 OK 37 77 70 68 4.5-7.3 10602/1799=31...(10) QG1 VAL 78 - H MET 121 far 0 96 0 - 8.0-8.9 QD1 ILE 18 - H MET 121 far 0 92 0 - 8.1-9.5 QD1 LEU 4 - H MET 121 far 0 61 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 10613 from nnoeabs.peaks (1.50, 8.40, 121.61 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.93: QB ALA 124 + H LYS 123 OK 93 96 100 97 4.5-4.6 2.9/784=88, 3.6/2238=46...(4) HG3 ARG 118 - H LYS 123 far 0 84 0 - 6.5-10.2 HD2 LYS 53 - H LYS 123 far 0 73 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 10614 from nnoeabs.peaks (0.97, 8.60, 121.87 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 3 + H ALA 124 OK 100 100 100 100 4.1-5.2 9010/2.9=96, 9016/3.0=88...(18) Violated in 1 structures by 0.00 A. Peak 10622 from nnoeabs.peaks (7.00, 8.60, 121.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: HZ PHE 79 + H ALA 124 OK 98 98 100 100 2.4-3.5 4665/2.9=95, 4639/3.0=92...(14) Violated in 0 structures by 0.00 A. Peak 10623 from nnoeabs.peaks (7.11, 8.60, 121.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 79 + H ALA 124 OK 96 96 100 100 3.3-3.6 10629/2.9=99...(18) Violated in 0 structures by 0.00 A. Peak 10635 from nnoeabs.peaks (4.15, 7.86, 116.08 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.93: HA ALA 124 + H SER 126 OK 91 94 100 97 3.4-3.9 3.6/797=56, 2257/800=53...(8) HA GLN 122 + H SER 126 OK 23 65 100 35 4.7-5.5 8308/797=24, 8307/2250=14 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 10639 from nnoeabs.peaks (1.91, 7.86, 116.08 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.97: HB3 LYS 123 + H SER 126 OK 84 96 100 87 5.1-5.6 2.9/8311=71, 4.4/2250=43...(5) HB2 GLU 128 + H SER 126 OK 82 99 90 92 4.6-7.1 1837/2253=50...(6) HG2 MET 121 - H SER 126 far 0 90 0 - 8.9-10.3 Violated in 1 structures by 0.00 A. Peak 10640 from nnoeabs.peaks (1.51, 7.86, 116.08 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 124 + H SER 126 OK 99 99 100 100 4.2-4.4 3.6/797=96, 2.1/8317=95...(8) Violated in 0 structures by 0.00 A. Peak 10665 from nnoeabs.peaks (0.74, 9.08, 127.78 ppm; 4.14 A): 1 out of 7 assignments used, quality = 0.81: QG2 VAL 78 + H LEU 4 OK 81 84 100 96 2.0-3.4 3.2/9041=61, 4.1/9033=41...(11) QD1 LEU 45 - H LEU 4 far 7 73 10 - 5.0-7.1 QG2 ILE 54 - H LEU 4 far 0 96 0 - 5.8-8.5 QD2 LEU 6 - H LEU 4 far 0 100 0 - 6.0-7.6 QD2 LEU 55 - H LEU 4 far 0 100 0 - 6.2-9.5 QD2 LEU 45 - H LEU 4 far 0 84 0 - 6.4-8.8 QG1 VAL 117 - H LEU 4 far 0 70 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 10669 from nnoeabs.peaks (5.16, 9.23, 129.32 ppm; 5.97 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 78 + H LEU 6 OK 99 100 100 99 4.1-4.8 491/9070=91, 3.2/9888=50...(6) HA ILE 7 + H LEU 6 OK 69 70 100 99 5.0-5.2 ~23=72, ~7321=69...(7) Violated in 0 structures by 0.00 A. Peak 10672 from nnoeabs.peaks (0.84, 8.93, 120.75 ppm; 4.23 A): 3 out of 9 assignments used, quality = 0.99: QG2 ILE 5 + H ILE 7 OK 89 100 100 89 4.0-5.0 20/4.7=49, 10941/1054=42...(7) QG2 ILE 57 + H ILE 7 OK 82 99 100 82 2.9-5.5 3.2/9078=48, 3.0/9581=38...(8) HG13 ILE 57 + H ILE 7 OK 31 77 50 80 4.4-6.7 2.1/9581=41, 4.2/9078=40...(8) QG2 THR 9 - H ILE 7 far 9 61 15 - 5.4-6.1 QG2 ILE 15 - H ILE 7 far 0 100 0 - 6.3-8.3 QD2 LEU 82 - H ILE 7 far 0 61 0 - 6.6-8.8 HG13 ILE 5 - H ILE 7 far 0 100 0 - 7.2-8.2 QG2 VAL 22 - H ILE 7 far 0 92 0 - 7.5-9.7 QD1 LEU 14 - H ILE 7 far 0 77 0 - 8.2-9.7 Violated in 1 structures by 0.00 A. Peak 10677 from nnoeabs.peaks (0.70, 8.44, 120.43 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.80: QG2 ILE 56 + H VAL 32 OK 74 98 95 80 3.7-7.2 9534=39, 7577/11348=37...(6) QD1 ILE 57 + H VAL 32 OK 22 97 30 77 3.2-6.0 9573/179=33...(7) QD2 LEU 63 - H VAL 32 far 0 94 0 - 5.4-7.4 QD1 LEU 6 - H VAL 32 far 0 77 0 - 5.9-7.3 QD1 LEU 55 - H VAL 32 far 0 73 0 - 6.3-10.2 QG2 ILE 18 - H VAL 32 far 0 65 0 - 8.0-10.4 Violated in 19 structures by 0.32 A. 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 100 100 100 100 4.5-5.0 4.9=100 Violated in 0 structures by 0.00 A. Peak 10685 from nnoeabs.peaks (5.27, 8.71, 124.86 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.78: * HA LEU 81 + H ARG 105 OK 78 100 100 78 3.1-4.2 3.6/10247=28, 10686=27...(10) HA GLN 83 - H ARG 105 far 0 92 0 - 7.4-8.8 Violated in 19 structures by 0.41 A. Peak 10687 from nnoeabs.peaks (4.57, 8.32, 122.86 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.68: * HA PHE 79 + H GLU 103 OK 68 100 100 68 2.6-4.3 10688=48, 11014/4.0=30 Violated in 0 structures by 0.00 A. Peak 10691 from nnoeabs.peaks (4.74, 8.44, 122.15 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.90: * HA THR 9 + H GLN 83 OK 90 99 100 91 3.1-4.6 3.0/9997=62...(4) HA ASP 109 - H GLN 83 far 0 98 0 - 9.4-10.6 Violated in 1 structures by 0.00 A. 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 87 100 100 4.1-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 10738 from nnoeabs.peaks (0.73, 8.77, 123.01 ppm; 4.72 A): 4 out of 10 assignments used, quality = 1.00: QD2 LEU 55 + H ILE 5 OK 94 99 100 95 2.7-6.1 4.0/9525=55, 4.6/9529=40...(10) QG2 VAL 78 + H ILE 5 OK 92 98 100 94 3.4-4.7 10665/4.6=50...(12) QD2 LEU 6 + H ILE 5 OK 67 99 100 67 4.8-5.7 11559/9529=36...(7) QG2 ILE 54 + H ILE 5 OK 60 77 100 78 4.1-5.9 9490/9=27, 4417/9525=24...(11) QG1 VAL 117 - H ILE 5 poor 18 92 40 48 5.6-6.8 10938/3.9=30...(7) QD1 LEU 6 - H ILE 5 poor 13 73 45 38 5.9-6.8 11342/4.7=35, 5417/1041=4 QG2 ILE 18 - H ILE 5 far 0 84 0 - 7.0-8.1 QD2 LEU 45 - H ILE 5 far 0 98 0 - 7.2-9.0 QG2 ILE 7 - H ILE 5 far 0 84 0 - 7.8-8.5 HG13 ILE 18 - H ILE 5 far 0 100 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 10746 from nnoeabs.peaks (9.06, 8.63, 125.54 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: H LEU 81 + H ASN 8 OK 100 100 100 100 2.5-3.9 11384=100, 9951/30=81...(7) Violated in 0 structures by 0.00 A. Peak 10747 from nnoeabs.peaks (8.05, 6.25, 107.51 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: H THR 9 + HD22 ASN 8 OK 100 100 100 100 4.1-5.5 40/1.7=97, 41=85...(8) H LYS 65 + HD22 ASN 8 OK 34 96 55 65 4.7-7.6 4.7/9107=37, 7335/3.5=24...(4) Violated in 0 structures by 0.00 A. Peak 10748 from nnoeabs.peaks (7.86, 7.37, 107.51 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.94: H ASP 60 + HD21 ASN 8 OK 94 100 95 99 3.5-7.3 9634/1.7=85, 3.6/9096=76...(4) HE21 GLN 62 - HD21 ASN 8 far 0 94 0 - 8.2-13.0 Violated in 2 structures by 0.10 A. Peak 10749 from nnoeabs.peaks (7.85, 6.25, 107.51 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.95: H ASP 60 + HD22 ASN 8 OK 95 96 100 100 3.7-6.2 10748/1.7=88...(4) HE21 GLN 62 - HD22 ASN 8 far 10 100 10 - 7.0-11.5 H ILE 97 - HD22 ASN 8 far 0 65 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 10752 from nnoeabs.peaks (3.74, 7.37, 107.51 ppm; 6.12 A): 0 out of 0 assignments used, quality = 0.00: Peak 10753 from nnoeabs.peaks (3.74, 6.25, 107.51 ppm; 5.97 A): 0 out of 0 assignments used, quality = 0.00: Peak 10759 from nnoeabs.peaks (7.22, 7.33, 114.07 ppm; 4.19 A): 0 out of 4 assignments used, quality = 0.00: HE22 GLN 83 - HD21 ASN 11 poor 13 70 75 26 1.9-7.2 11191/3.5=12, ~11191=11...(4) HE21 GLN 83 - HD22 ASN 11 far 11 73 15 - 3.1-8.6 HE21 GLN 83 - HD21 ASN 11 poor 9 73 45 26 2.6-8.7 ~11191=12, 11191/3.5=11...(4) HE22 GLN 83 - HD22 ASN 11 poor 7 69 40 26 2.8-7.1 11191/3.5=12, ~11191=11...(4) Violated in 10 structures by 0.46 A. Peak 10765 from nnoeabs.peaks (7.34, 7.58, 121.68 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.96: HD21 ASN 11 + H LEU 14 OK 82 90 100 92 2.2-5.1 3.5/9136=52, 3.5/9158=46...(7) HD22 ASN 11 + H LEU 14 OK 77 92 95 89 3.7-6.3 3.5/9136=52, 3.5/9158=46...(6) Violated in 1 structures by 0.02 A. Peak 10766 from nnoeabs.peaks (0.77, 8.29, 119.33 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 15 + H GLU 13 OK 98 98 100 100 4.8-5.8 9174/3.6=96...(6) QD2 LEU 14 + H GLU 13 OK 96 97 100 99 3.9-4.6 4.3/62=95, 4.0/11313=66 QG1 VAL 107 - H GLU 13 far 0 97 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 10774 from nnoeabs.peaks (6.86, 7.60, 117.60 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.91: QD TYR 76 + H LEU 74 OK 91 94 100 97 4.8-5.9 1503/9827=66...(7) Violated in 8 structures by 0.13 A. Peak 10777 from nnoeabs.peaks (1.40, 8.79, 120.96 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.92: HB3 LEU 114 + H ILE 18 OK 84 99 85 99 4.1-6.9 3.1/10434=71...(11) HG3 LYS 16 + H ILE 18 OK 30 99 35 86 5.2-7.4 87/92=69, 1107/1985=44 QB ALA 113 + H ILE 18 OK 26 94 30 93 5.8-7.2 10421/1128=61...(7) HB3 GLN 83 - H ILE 18 far 0 61 0 - 9.3-10.3 Violated in 10 structures by 0.18 A. Peak 10781 from nnoeabs.peaks (0.85, 8.53, 118.32 ppm; 4.12 A): 3 out of 8 assignments used, quality = 1.00: QG2 VAL 22 + H LYS 19 OK 96 100 100 96 4.0-4.3 10859/3.0=72...(13) QG2 ILE 15 + H LYS 19 OK 78 99 100 79 3.9-4.6 3.2/7986=37, 9185/102=17...(11) QG2 ILE 57 + H LYS 19 OK 55 87 80 79 4.8-6.5 4509=27, 3.0/4530=25...(13) QD1 LEU 14 - H LYS 19 far 0 97 0 - 5.7-6.4 QG2 THR 9 - H LYS 19 far 0 90 0 - 5.9-6.9 QG2 VAL 117 - H LYS 19 far 0 84 0 - 6.0-7.5 HG13 ILE 57 - H LYS 19 far 0 97 0 - 6.1-7.7 QG2 ILE 5 - H LYS 19 far 0 90 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 10790 from nnoeabs.peaks (1.85, 8.44, 120.43 ppm; 4.46 A): 0 out of 1 assignment used, quality = 0.00: QE MET 42 - H VAL 32 far 0 65 0 - 6.4-9.7 Violated in 20 structures by 4.14 A. 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 99 100 100 2.2-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 10800 from nnoeabs.peaks (0.64, 7.96, 119.96 ppm; 5.49 A): 2 out of 5 assignments used, quality = 0.97: QD1 ILE 54 + H LYS 53 OK 96 100 100 96 4.9-6.6 11545/4.7=76...(6) QD1 LEU 4 + H LYS 53 OK 33 99 70 47 3.5-8.7 1354/4.6=32, 10801/310=7...(5) QD1 ILE 5 - H LYS 53 far 4 84 5 - 6.0-8.7 QD1 ILE 71 - H LYS 53 far 0 70 0 - 7.6-12.1 QG1 VAL 22 - H LYS 53 far 0 100 0 - 8.4-11.1 Violated in 4 structures by 0.04 A. Peak 10802 from nnoeabs.peaks (1.81, 8.80, 124.73 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.90: HB ILE 3 + H ILE 54 OK 85 99 90 95 4.9-7.5 9001/3.6=56, 9003=51...(8) HG12 ILE 5 + H ILE 54 OK 34 99 45 77 4.7-8.7 9052/9481=29...(10) QE MET 121 - H ILE 54 far 0 61 0 - 6.5-10.3 Violated in 13 structures by 0.42 A. Peak 10817 from nnoeabs.peaks (8.20, 7.20, 110.45 ppm; 5.32 A): 4 out of 4 assignments used, quality = 1.00: H ASP 84 + HE21 GLN 83 OK 100 100 100 100 3.0-5.6 528/3.5=82, 525/5.9=57...(14) H ASP 84 + HE22 GLN 83 OK 90 100 90 100 4.3-6.9 528/3.5=82, 525/5.9=57...(13) H GLU 111 + HE21 GLN 83 OK 25 94 60 44 5.6-8.7 3.6/10392=31, 7732/3.5=9...(4) H GLU 111 + HE22 GLN 83 OK 22 94 55 43 4.6-9.5 3.6/10392=31, 7732/3.5=9...(4) Violated in 0 structures by 0.00 A. Peak 10825 from nnoeabs.peaks (0.38, 6.75, 110.23 ppm; 5.73 A): 1 out of 2 assignments used, quality = 0.31: QD1 ILE 97 + HE22 GLN 100 OK 31 65 65 73 3.8-9.3 4.2/10165=67, 10126/3.5=17 QD2 LEU 68 - HE22 GLN 100 poor 13 100 45 28 4.6-9.0 11489/3.5=20...(3) Violated in 15 structures by 1.10 A. Peak 10887 from nnoeabs.peaks (2.96, 7.56, 112.87 ppm; 4.58 A): 2 out of 5 assignments used, quality = 1.00: HB3 ASN 24 + HE21 GLN 25 OK 94 100 100 94 2.7-5.0 10882=51, 1.8/10882=41...(7) HB2 ASN 24 + HE21 GLN 25 OK 93 100 100 93 2.7-6.0 10882=48, 1.8/10882=44...(7) HD3 ARG 118 - HE21 GLN 25 lone 0 97 25 1 4.3-11.2 HE2 LYS 20 - HE21 GLN 25 far 0 100 0 - 6.9-15.5 HE3 LYS 20 - HE21 GLN 25 far 0 100 0 - 8.3-15.6 Violated in 0 structures by 0.00 A. Peak 10888 from nnoeabs.peaks (2.96, 6.88, 112.87 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.96: HB3 ASN 24 + HE22 GLN 25 OK 88 98 100 89 1.9-5.7 10882/1.7=47, ~10882=35...(5) HB2 ASN 24 + HE22 GLN 25 OK 69 98 80 88 2.3-6.9 10887/1.7=44, ~10882=37...(5) HD3 ARG 118 - HE22 GLN 25 poor 18 92 20 - 4.1-12.8 HE3 LYS 20 - HE22 GLN 25 far 0 100 0 - 7.1-17.2 HE2 LYS 20 - HE22 GLN 25 far 0 100 0 - 7.8-16.7 Violated in 4 structures by 0.00 A. Peak 10986 from nnoeabs.peaks (0.74, 8.20, 119.58 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.97: QD1 LEU 63 + H LEU 38 OK 97 100 100 98 3.6-5.2 2.1/10957=45...(14) QD2 LEU 6 - H LEU 38 far 0 97 0 - 8.3-9.3 QD2 LEU 45 - H LEU 38 far 0 70 0 - 9.2-11.4 QD1 LEU 45 - H LEU 38 far 0 87 0 - 9.5-11.5 QG2 ILE 54 - H LEU 38 far 0 99 0 - 9.6-10.9 Violated in 19 structures by 0.45 A. Peak 11011 from nnoeabs.peaks (1.84, 7.56, 112.87 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.86: QE MET 121 + HE21 GLN 25 OK 86 95 90 100 1.9-6.5 10579=88, 11012/1.7=77...(6) HB ILE 18 - HE21 GLN 25 far 0 69 0 - 9.9-14.7 Violated in 9 structures by 0.48 A. Peak 11012 from nnoeabs.peaks (1.83, 6.88, 112.87 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.65: QE MET 121 + HE22 GLN 25 OK 65 100 65 100 1.9-6.9 10580=88, 10579/1.7=80...(5) Violated in 14 structures by 0.93 A. Peak 11110 from nnoeabs.peaks (7.68, 8.04, 109.03 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.77: H GLU 21 + H VAL 22 OK 70 70 100 100 2.9-3.0 4.6=100 HD21 ASN 24 + H VAL 22 OK 24 90 45 59 5.0-10.5 11539/3.6=58 HE ARG 118 - H VAL 22 poor 15 73 20 - 4.6-11.6 Violated in 0 structures by 0.00 A. 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 94 100 100 2.0-2.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 11112 from nnoeabs.peaks (0.86, 8.04, 109.03 ppm; 6.17 A): 2 out of 8 assignments used, quality = 0.99: QG2 VAL 22 + H VAL 22 OK 98 98 100 100 1.9-2.3 4.0=100 QG2 VAL 117 + H VAL 22 OK 50 99 100 51 5.8-7.0 ~11119=31, 3166/4.0=20...(4) QG2 ILE 5 - H VAL 22 far 9 61 15 - 7.2-8.4 QD1 LEU 14 - H VAL 22 far 5 100 5 - 7.5-8.6 HG13 ILE 57 - H VAL 22 far 0 100 0 - 7.9-10.0 QG2 ILE 15 - H VAL 22 far 0 84 0 - 7.9-8.5 HG13 ILE 5 - H VAL 22 far 0 81 0 - 8.2-10.8 QG2 THR 9 - H VAL 22 far 0 100 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 11134 from nnoeabs.peaks (8.94, 8.32, 122.86 ppm; 5.15 A): 0 out of 0 assignments used, quality = 0.00: Peak 11140 from nnoeabs.peaks (0.89, 9.10, 130.09 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 29 + H LEU 55 OK 83 96 100 86 4.8-5.7 9502/1357=61...(6) Violated in 20 structures by 0.96 A. 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 = 0.77: HE22 GLN 122 + HE ARG 118 OK 77 90 95 91 2.2-6.5 10535/2.9=75...(3) Violated in 7 structures by 0.20 A. 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 98 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 11172 from nnoeabs.peaks (2.97, 7.67, 85.30 ppm; 4.41 A): 1 out of 5 assignments used, quality = 1.00: HD3 ARG 118 + HE ARG 118 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 ASN 24 - HE ARG 118 far 5 100 5 - 4.8-14.1 HB3 ASN 24 - HE ARG 118 far 0 100 0 - 5.9-12.9 HE3 LYS 20 - HE ARG 118 far 0 98 0 - 9.2-18.9 HE2 LYS 20 - HE ARG 118 far 0 98 0 - 9.6-18.4 Violated in 0 structures by 0.00 A. Peak 11173 from nnoeabs.peaks (2.10, 7.67, 85.30 ppm; 6.20 A): 0 out of 8 assignments used, quality = 0.00: HG3 GLU 21 - HE ARG 118 lone 7 100 65 11 4.2-9.5 3.0/3134=5, 3146=3 HG2 GLU 21 - HE ARG 118 lone 6 99 55 10 2.9-10.6 3.0/3134=5, 1.8/3146=3 HB2 GLU 21 - HE ARG 118 lone 6 81 60 12 2.0-10.5 1.8/3134=5, 3.0/3146=3...(4) HB2 GLU 119 - HE ARG 118 lone 5 77 75 9 5.2-9.7 ~3657=7 HB3 GLU 119 - HE ARG 118 lone 4 87 55 9 5.3-10.8 ~3657=7 HB3 GLU 112 - HE ARG 118 far 0 61 0 - 8.5-13.7 HB2 GLU 111 - HE ARG 118 far 0 100 0 - 9.3-13.7 HB2 GLU 112 - HE ARG 118 far 0 65 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 11174 from nnoeabs.peaks (1.86, 7.67, 85.30 ppm; 5.83 A): 1 out of 2 assignments used, quality = 0.87: HB3 ARG 118 + HE ARG 118 OK 87 87 100 100 1.9-5.2 5.1=100 HD2 LYS 123 - HE ARG 118 far 0 73 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 11175 from nnoeabs.peaks (1.74, 7.67, 85.30 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.94: HG2 ARG 118 + HE ARG 118 OK 94 94 100 100 2.2-4.0 3.9=100 HB2 LEU 114 - HE ARG 118 poor 20 100 20 - 5.1-10.2 HD3 LYS 123 - HE ARG 118 far 0 92 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 11176 from nnoeabs.peaks (1.49, 7.67, 85.30 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: HG3 ARG 118 + HE ARG 118 OK 100 100 100 100 2.3-3.6 3.9=100 HG3 LYS 20 - HE ARG 118 far 0 92 0 - 8.4-16.5 QB ALA 124 - HE ARG 118 far 0 65 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11177 from nnoeabs.peaks (4.91, 8.53, 118.84 ppm; 4.78 A): 0 out of 0 assignments used, quality = 0.00: Peak 11178 from nnoeabs.peaks (4.05, 7.62, 119.30 ppm; 5.92 A): 1 out of 2 assignments used, quality = 0.57: HA LYS 96 + H GLN 100 OK 57 73 100 77 4.5-5.5 2178/1942=44...(4) HA GLU 69 - H GLN 100 far 0 98 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 11179 from nnoeabs.peaks (3.97, 7.62, 119.30 ppm; 3.75 A): 0 out of 2 assignments used, quality = 0.00: HA LEU 14 - H LYS 115 far 0 37 0 - 7.4-8.8 HA GLU 21 - H LYS 115 far 0 65 0 - 8.2-10.1 Violated in 20 structures by 3.78 A. Peak 11181 from nnoeabs.peaks (7.61, 8.72, 117.99 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 11182 from nnoeabs.peaks (2.73, 8.43, 118.92 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASP 60 + H GLN 62 OK 100 100 100 100 2.4-3.3 4.3/1904=90...(9) Violated in 0 structures by 0.00 A. Peak 11248 from nnoeabs.peaks (0.85, 9.18, 125.98 ppm; 4.49 A): 4 out of 9 assignments used, quality = 0.98: HG13 ILE 57 + H ILE 56 OK 80 98 95 86 4.1-6.5 1374/4.6=33, ~9575=29...(12) QG2 ILE 5 + H ILE 56 OK 74 87 100 85 4.1-5.6 4.0/9529=46, 9059/332=38...(6) HG13 ILE 5 + H ILE 56 OK 34 97 55 64 4.6-6.8 4.6/9529=41, 9503/4.6=16...(5) QG2 ILE 57 + H ILE 56 OK 34 84 50 80 4.3-6.3 9566/3.0=25, 1372/4.6=24...(10) QG2 VAL 22 - H ILE 56 far 5 100 5 - 5.6-8.2 QG2 ILE 15 - H ILE 56 far 0 98 0 - 7.5-9.2 QG2 VAL 117 - H ILE 56 far 0 87 0 - 8.0-9.3 QG2 THR 9 - H ILE 56 far 0 92 0 - 8.3-9.4 QG1 VAL 32 - H ILE 56 far 0 81 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 11315 from nnoeabs.peaks (7.62, 8.20, 119.58 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.96: H ASP 34 + H LEU 38 OK 96 96 100 100 4.1-4.8 9325=69, 9319/11505=67...(13) H LEU 64 - H LEU 38 far 0 100 0 - 8.6-9.5 Violated in 16 structures by 0.16 A. Peak 11316 from nnoeabs.peaks (7.80, 8.78, 118.11 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.60: H LYS 40 + H MET 42 OK 60 61 100 98 4.5-4.8 3.0/8062=71, 3.6/2050=71...(4) H GLU 66 - H MET 42 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 11317 from nnoeabs.peaks (7.52, 8.16, 117.78 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.69: H LYS 43 + H LEU 45 OK 69 70 100 99 4.0-5.0 3.6/2065=85, 4.6/1889=81...(8) Violated in 0 structures by 0.00 A. Peak 11318 from nnoeabs.peaks (7.73, 8.16, 117.78 ppm; 6.05 A): 2 out of 2 assignments used, quality = 0.80: H GLU 47 + H LEU 45 OK 57 57 100 100 3.8-4.2 4.6/1890=89, 3.7/9453=81...(9) H GLU 48 + H LEU 45 OK 54 77 100 70 4.4-5.2 4.6/2073=66, 282/2066=8 Violated in 0 structures by 0.00 A. Peak 11322 from nnoeabs.peaks (4.25, 9.01, 122.45 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 32 + H GLU 37 OK 100 100 100 100 5.3-5.7 9292/1228=91...(8) HA GLU 41 - H GLU 37 far 0 81 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 11327 from nnoeabs.peaks (1.45, 8.80, 124.73 ppm; 4.97 A): 3 out of 6 assignments used, quality = 1.00: HG LEU 4 + H ILE 54 OK 97 100 100 97 2.4-5.8 3.7/9485=69...(9) HB3 LEU 4 + H ILE 54 OK 81 84 100 97 4.3-5.2 3.0/9485=78...(8) HB2 LEU 4 + H ILE 54 OK 80 84 100 96 4.7-6.2 3.0/9485=78...(8) HG3 ARG 30 - H ILE 54 far 0 100 0 - 6.6-9.9 HG12 ILE 57 - H ILE 54 far 0 92 0 - 9.8-11.6 HG3 LYS 44 - H ILE 54 far 0 87 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.99: HA ARG 105 + HE ARG 105 OK 99 100 100 99 1.9-4.6 6438/2.9=87, 6430/2.9=86, 6.5=45 HA LEU 82 - HE ARG 105 far 0 99 0 - 8.0-11.7 Violated in 0 structures by 0.00 A. 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 98 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 65 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 11336 from nnoeabs.peaks (1.83, 7.60, 82.39 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.65: HB3 ARG 105 + HE ARG 105 OK 65 65 100 100 3.4-5.0 4.9=100 HD2 LYS 123 - HE ARG 105 far 5 94 5 - 5.7-11.5 Violated in 0 structures by 0.00 A. Peak 11337 from nnoeabs.peaks (1.76, 7.60, 82.39 ppm; 6.14 A): 1 out of 4 assignments used, quality = 0.97: HG3 ARG 105 + HE ARG 105 OK 97 97 100 100 2.2-4.1 3.8=100 HB2 LEU 80 - HE ARG 105 far 10 98 10 - 7.3-10.4 HD3 LYS 123 - HE ARG 105 far 4 90 5 - 5.9-12.1 HB2 LEU 90 - HE ARG 105 far 0 70 0 - 8.9-14.3 Violated in 0 structures by 0.00 A. Peak 11344 from nnoeabs.peaks (1.68, 8.93, 120.75 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.78: HB ILE 56 + H ILE 7 OK 78 87 95 94 3.9-6.9 10950/23=67, 4.0/9530=63...(4) HG12 ILE 71 - H ILE 7 far 0 70 0 - 8.5-10.2 Violated in 1 structures by 0.09 A. Peak 11346 from nnoeabs.peaks (4.06, 7.84, 119.08 ppm; 4.74 A): 0 out of 0 assignments used, quality = 0.00: Peak 11348 from nnoeabs.peaks (8.54, 8.44, 120.43 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: H ILE 57 + H VAL 32 OK 99 100 100 99 3.5-4.2 9576=88, 9570/179=76...(6) Violated in 0 structures by 0.00 A. Peak 11361 from nnoeabs.peaks (9.15, 8.54, 127.24 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.74: H ARG 30 + H ILE 57 OK 74 77 100 96 3.6-5.0 10680/339=62, 9250=54...(6) Violated in 7 structures by 0.10 A. Peak 11374 from nnoeabs.peaks (2.02, 7.61, 117.57 ppm; 4.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 11384 from nnoeabs.peaks (8.63, 9.06, 126.69 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.95: H ASN 8 + H LEU 81 OK 95 100 100 96 2.5-3.9 10746=74, 30/9951=70...(7) H VAL 104 - H LEU 81 far 0 57 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 11387 from nnoeabs.peaks (1.46, 9.06, 126.69 ppm; 3.99 A): 3 out of 5 assignments used, quality = 0.99: HB3 LEU 6 + H LEU 81 OK 90 100 100 91 3.6-4.4 1045/9071=42...(14) HG12 ILE 7 + H LEU 81 OK 72 100 75 97 3.6-6.0 2.1/9087=56...(8) HG LEU 80 + H LEU 81 OK 60 61 100 98 2.2-5.1 2.1/7715=73, 3.0/506=58...(12) HG2 LYS 106 - H LEU 81 far 0 100 0 - 7.4-11.5 HG12 ILE 57 - H LEU 81 far 0 100 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 11403 from nnoeabs.peaks (8.59, 8.21, 124.45 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.90: H THR 108 + H ASP 84 OK 90 92 100 98 4.7-5.5 2.9/10023=84...(6) H LYS 94 - H ASP 84 far 0 87 0 - 8.6-10.1 Violated in 9 structures by 0.14 A. Peak 11408 from nnoeabs.peaks (4.51, 8.69, 120.51 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.95: HA ASP 84 + H ASP 86 OK 95 99 100 96 3.5-4.9 533/536=84, 3.0/11298=46...(4) Violated in 1 structures by 0.01 A. Peak 11418 from nnoeabs.peaks (8.84, 8.55, 118.79 ppm; 4.45 A): 0 out of 0 assignments used, quality = 0.00: Peak 11451 from nnoeabs.peaks (2.90, 9.01, 122.45 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.98: HB2 ASP 34 + H GLU 37 OK 97 97 100 100 2.6-4.6 3.0/11684=99, 11683=96...(8) HB2 ASN 33 + H GLU 37 OK 23 96 25 96 7.2-8.3 4.6/9327=83...(6) Violated in 0 structures by 0.00 A. Peak 11505 from nnoeabs.peaks (0.86, 8.20, 119.58 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 32 + H LEU 38 OK 99 100 100 100 2.1-3.0 9282=64, 11003/3.0=55...(18) Violated in 0 structures by 0.00 A. Peak 11539 from nnoeabs.peaks (3.96, 7.69, 112.83 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.61: HA GLU 21 + HD21 ASN 24 OK 61 100 80 76 3.4-10.2 11324/3.5=60...(3) Violated in 10 structures by 0.67 A. Peak 11666 from nnoeabs.peaks (2.06, 7.56, 112.87 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: HB VAL 117 - HE21 GLN 25 far 14 92 15 - 6.9-12.3 HG2 GLU 119 - HE21 GLN 25 far 0 61 0 - 8.9-13.6 Violated in 20 structures by 2.65 A. Peak 11667 from nnoeabs.peaks (1.47, 8.72, 117.99 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.87: HG3 LYS 49 + H ASN 50 OK 64 73 100 87 3.3-5.6 1.8/7540=42, 4102/3.6=35...(5) HG2 LYS 49 + H ASN 50 OK 64 73 100 87 3.6-5.9 1.8/7540=42, 4102/3.6=35...(5) HB3 LEU 45 - H ASN 50 lone 3 87 100 3 4.0-7.4 HB2 LEU 74 - H ASN 50 far 0 96 0 - 8.1-14.6 Violated in 0 structures by 0.00 A. Peak 11668 from nnoeabs.peaks (7.08, 8.04, 118.31 ppm; 5.43 A): 1 out of 3 assignments used, quality = 0.98: HZ PHE 93 + H LYS 65 OK 98 100 100 98 3.2-4.8 9690/4.2=48...(9) HZ PHE 93 - H THR 9 far 0 79 0 - 8.0-9.3 QE PHE 79 - H ARG 118 far 0 48 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 11704 from nnoeabs.peaks (1.38, 7.20, 110.45 ppm; 5.16 A): 2 out of 5 assignments used, quality = 0.95: HG LEU 14 + HE21 GLN 83 OK 78 99 100 79 4.4-6.6 2.1/11005=40, ~11005=37...(5) HG LEU 14 + HE22 GLN 83 OK 78 99 100 79 3.6-6.4 2.1/11005=41, ~11005=36...(5) HB3 LEU 114 - HE22 GLN 83 far 0 80 0 - 6.9-12.2 HB3 LEU 114 - HE21 GLN 83 far 0 81 0 - 7.9-11.9 HG3 LYS 106 - HE21 GLN 83 far 0 61 0 - 9.1-12.5 Violated in 4 structures by 0.10 A. Peak 11714 from nnoeabs.peaks (0.68, 8.80, 124.73 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 4 + H ILE 54 OK 98 100 100 98 1.8-4.7 3.8/9485=53...(16) QD1 LEU 55 + H ILE 54 OK 31 99 40 78 4.9-7.0 11358=39, 1360/4.4=29...(7) QD1 ILE 56 - H ILE 54 poor 20 65 65 47 4.7-8.5 11707/4.0=21...(7) QG2 ILE 56 - H ILE 54 far 4 77 5 - 5.8-8.6 Violated in 5 structures by 0.01 A. Peak 11715 from nnoeabs.peaks (2.37, 9.10, 130.09 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: HB3 TYR 27 + H LEU 55 OK 98 98 100 100 2.9-5.7 2.5/9508=95, 4.2/9230=80...(6) Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QG2 ILE 3 + HA ILE 3 OK 100 100 100 100 2.3-2.7 3.2=100 HG2 LYS 53 - HA ILE 3 poor 17 92 25 72 4.5-10.1 ~11244=34, 11243/3.0=25...(7) HG2 LYS 2 - HA ILE 3 lone 2 94 90 2 4.0-6.7 2.9/2329=1 Violated in 0 structures by 0.00 A. Peak 2329 from cnoeabs.peaks (0.97, 4.83, 59.56 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 3 + HA ILE 3 OK 100 100 100 100 1.9-3.7 4.2=100 HD3 LYS 2 - HA ILE 3 lone 2 94 45 5 3.9-7.6 7/2=3, 2.9/2326=1 HG13 ILE 56 - HA ILE 3 far 0 90 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (4.83, 1.81, 40.51 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 3 + HB ILE 3 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 5 - HB ILE 3 far 0 97 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 3 + HB ILE 3 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 53 + HB ILE 3 OK 33 92 45 79 2.3-7.9 4.1/9001=28...(11) HG2 LYS 2 - HB ILE 3 far 0 94 0 - 5.5-7.9 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (1.56, 1.81, 40.51 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 3 + HB ILE 3 OK 100 100 100 100 2.4-2.5 2.9=100 HG LEU 55 - HB ILE 3 far 0 99 0 - 7.9-11.8 HB VAL 78 - HB ILE 3 far 0 99 0 - 8.4-10.2 HG2 LYS 123 - HB ILE 3 far 0 81 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2335 from cnoeabs.peaks (0.97, 1.81, 40.51 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 3 + HB ILE 3 OK 100 100 100 100 2.3-3.2 3.2=100 HD3 LYS 2 - HB ILE 3 far 0 94 0 - 5.9-8.6 Violated in 0 structures by 0.00 A. Peak 2336 from cnoeabs.peaks (4.83, 1.08, 17.85 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 3 + QG2 ILE 3 OK 100 100 100 100 2.3-2.7 3.2=100 HA ILE 5 + QG2 ILE 3 OK 77 97 100 80 3.9-4.7 4635/4662=28...(11) Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (1.81, 1.08, 17.85 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HB ILE 3 + QG2 ILE 3 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 5 + QG2 ILE 3 OK 88 100 100 88 2.8-4.5 4645/4662=33, 10739=26...(16) HB2 ARG 118 - QG2 ILE 3 far 0 97 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG12 ILE 3 + QG2 ILE 3 OK 100 100 100 100 3.2-3.2 3.2=100 HB VAL 78 - QG2 ILE 3 poor 16 99 25 63 5.2-7.0 3.0/10661=25, 5/4=20...(6) HG LEU 55 - QG2 ILE 3 far 0 99 0 - 5.7-8.9 HG2 LYS 123 - QG2 ILE 3 far 0 81 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (0.97, 1.08, 17.85 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 3 + QG2 ILE 3 OK 100 100 100 100 1.8-2.0 3.0=100 HD3 LYS 2 - QG2 ILE 3 far 0 94 0 - 5.8-8.1 HG13 ILE 56 - QG2 ILE 3 far 0 90 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 2342 from cnoeabs.peaks (4.83, 1.56, 27.38 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 3 + HG12 ILE 3 OK 100 100 100 100 2.6-3.0 3.8=100 HA ILE 5 + HG LEU 55 OK 44 93 50 94 5.0-7.5 ~10939=55, ~10938=29...(11) HA ILE 5 - HG12 ILE 3 far 0 97 0 - 8.2-9.0 HA ILE 3 - HG LEU 55 far 0 97 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 2343 from cnoeabs.peaks (1.81, 1.56, 27.38 ppm; 3.50 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 3 + HG12 ILE 3 OK 100 100 100 100 2.4-2.5 2.9=100 HG12 ILE 5 + HG LEU 55 OK 39 97 50 80 2.8-8.1 ~10939=28, 11487/2.1=26...(10) HB ILE 57 - HG LEU 55 far 0 64 0 - 5.2-8.0 HB ILE 18 - HG LEU 55 far 0 72 0 - 6.1-8.7 HB2 LYS 19 - HG LEU 55 far 0 61 0 - 6.6-10.2 HG12 ILE 5 - HG12 ILE 3 far 0 100 0 - 7.0-9.1 HB ILE 3 - HG LEU 55 far 0 97 0 - 7.9-11.8 HB2 LEU 14 - HG LEU 55 far 0 64 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (1.08, 1.56, 27.38 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 3 + HG12 ILE 3 OK 100 100 100 100 3.2-3.2 3.2=100 HG2 LYS 53 - HG12 ILE 3 poor 11 92 25 48 4.5-10.1 ~11244=19, 2332/2.9=14...(6) HG2 LYS 2 - HG12 ILE 3 far 0 94 0 - 5.5-7.3 QG2 ILE 3 - HG LEU 55 far 0 97 0 - 5.7-8.9 HG2 LYS 53 - HG LEU 55 far 0 87 0 - 7.0-11.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG13 ILE 3 + HG12 ILE 3 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 3 - HG LEU 55 far 0 97 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (0.97, 1.56, 27.38 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 3 + HG12 ILE 3 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 2 - HG12 ILE 3 far 0 94 0 - 5.0-8.5 HG13 ILE 56 - HG LEU 55 far 0 84 0 - 6.8-8.5 QD1 ILE 3 - HG LEU 55 far 0 97 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (4.83, 1.22, 27.38 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 3 + HG13 ILE 3 OK 100 100 100 100 2.3-3.7 3.8=100 HA ILE 5 - HG13 ILE 3 far 0 97 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 2349 from cnoeabs.peaks (1.81, 1.22, 27.38 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 3 + HG13 ILE 3 OK 100 100 100 100 2.4-3.0 2.9=100 HG12 ILE 5 - HG13 ILE 3 far 0 100 0 - 6.3-8.5 Violated in 0 structures by 0.00 A. Peak 2350 from cnoeabs.peaks (1.08, 1.22, 27.38 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 3 + HG13 ILE 3 OK 100 100 100 100 2.3-2.5 3.2=100 HG2 LYS 53 - HG13 ILE 3 poor 18 92 20 - 4.4-10.7 HG2 LYS 2 - HG13 ILE 3 far 0 94 0 - 6.3-8.9 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (1.56, 1.22, 27.38 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 3 + HG13 ILE 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 78 - HG13 ILE 3 far 0 99 0 - 6.5-10.0 HG2 LYS 123 - HG13 ILE 3 far 0 81 0 - 8.1-10.1 HG LEU 55 - HG13 ILE 3 far 0 99 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD1 ILE 3 + HG13 ILE 3 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 2 - HG13 ILE 3 far 0 94 0 - 6.5-10.0 Violated in 0 structures by 0.00 A. Peak 2354 from cnoeabs.peaks (4.83, 0.97, 13.48 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.92: * HA ILE 3 + QD1 ILE 3 OK 92 100 100 92 1.9-3.7 4.2=84, 2/7=45...(5) HA ILE 5 - QD1 ILE 3 far 0 97 0 - 5.6-6.8 Violated in 0 structures by 0.00 A. Peak 2355 from cnoeabs.peaks (1.81, 0.97, 13.48 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 3 + QD1 ILE 3 OK 100 100 100 100 2.3-3.2 3.2=100 HG12 ILE 5 - QD1 ILE 3 far 5 100 5 - 4.9-7.0 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (1.08, 0.97, 13.48 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 3 + QD1 ILE 3 OK 100 100 100 100 1.8-2.0 3.0=100 HG2 LYS 53 - QD1 ILE 3 far 0 92 0 - 5.1-9.6 HG2 LYS 2 - QD1 ILE 3 far 0 94 0 - 5.2-7.9 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (1.56, 0.97, 13.48 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 3 + QD1 ILE 3 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 123 - QD1 ILE 3 far 0 81 0 - 5.3-7.8 HB VAL 78 - QD1 ILE 3 far 0 99 0 - 6.0-7.4 HG LEU 55 - QD1 ILE 3 far 0 99 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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): 4 out of 5 assignments used, quality = 1.00: HB3 LEU 4 + HA LEU 4 OK 100 100 100 100 2.3-2.6 3.0=100 * HB2 LEU 4 + HA LEU 4 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 4 + HA LEU 4 OK 81 81 100 100 2.6-3.5 3.7=100 HG12 ILE 56 + HA LEU 4 OK 62 92 90 74 4.5-7.9 2.9/9047=17, 4477/3.8=16...(14) HG3 ARG 30 - HA LEU 4 far 0 77 0 - 7.7-11.5 Violated in 0 structures by 0.00 A. Peak 2363 from cnoeabs.peaks (1.44, 5.46, 53.34 ppm; 3.94 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 4 + HA LEU 4 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LEU 4 + HA LEU 4 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 4 + HA LEU 4 OK 81 81 100 100 2.6-3.5 3.7=100 HG12 ILE 56 + HA LEU 4 OK 62 92 90 74 4.5-7.9 2.9/9047=17, 4477/3.8=16...(14) HG3 ARG 30 - HA LEU 4 far 0 77 0 - 7.7-11.5 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (1.45, 5.46, 53.34 ppm; 3.94 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 4 + HA LEU 4 OK 100 100 100 100 2.6-3.5 3.7=100 HB3 LEU 4 + HA LEU 4 OK 81 81 100 100 2.3-2.6 3.0=100 HB2 LEU 4 + HA LEU 4 OK 81 81 100 100 3.0-3.0 3.0=100 HG3 ARG 30 - HA LEU 4 far 0 100 0 - 7.7-11.5 HB3 LEU 6 - HA LEU 4 far 0 97 0 - 7.9-8.6 HG12 ILE 57 - HA LEU 4 far 0 94 0 - 8.9-11.2 HG12 ILE 7 - HA LEU 4 far 0 96 0 - 9.0-10.6 HB2 LEU 74 - HA LEU 4 far 0 77 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (0.64, 5.46, 53.34 ppm; 4.11 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 4 + HA LEU 4 OK 100 100 100 100 2.2-3.9 3.8=100 QD1 ILE 5 + HA LEU 4 OK 44 65 100 68 3.0-5.4 5.0/9=41, 1033/2.9=13...(6) QD1 ILE 56 + HA LEU 4 OK 24 61 60 65 5.4-6.6 3.2/9047=18, 2.1/2362=14...(10) QD1 ILE 71 - HA LEU 4 poor 12 87 30 47 5.1-6.3 9777/3.0=15, 9777/3.0=15...(7) QD1 ILE 54 - HA LEU 4 far 0 97 0 - 5.7-7.7 QG1 VAL 22 - HA LEU 4 far 0 99 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (0.68, 5.46, 53.34 ppm; 4.33 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 4 + HA LEU 4 OK 100 100 100 100 2.0-3.9 3.8=100 QD1 LEU 55 + HA LEU 4 OK 43 98 85 52 4.1-6.6 14/9=24, 11358/9485=21...(4) QD1 ILE 56 + HA LEU 4 OK 40 70 80 72 5.4-6.6 3.2/9047=20, 2.1/2362=15...(11) QG2 ILE 56 - HA LEU 4 far 4 73 5 - 4.0-7.9 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (9.08, 1.44, 45.31 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.4-2.9 3.8=100 H LEU 4 + HB3 LEU 4 OK 100 100 100 100 3.6-3.8 3.8=100 H LEU 81 - HB3 LEU 4 far 0 65 0 - 9.5-11.2 H LEU 81 - HB2 LEU 4 far 0 65 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 * HA LEU 4 + HB2 LEU 4 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 5 out of 12 assignments used, quality = 1.00: QD1 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.2-3.2 3.1=100 * QD1 LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 ILE 71 + HB3 LEU 4 OK 45 87 100 52 3.0-4.4 9777=12, 9777/1.8=12...(15) QD1 ILE 71 + HB2 LEU 4 OK 45 87 100 52 3.0-4.2 9777=12, 9777/1.8=12...(14) QD1 ILE 56 + HB3 LEU 4 OK 24 61 55 70 3.9-5.4 3.2/4464=14, 4492=12...(22) QD1 ILE 5 - HB2 LEU 4 poor 13 65 20 - 4.6-7.1 QD1 ILE 5 - HB3 LEU 4 poor 13 65 20 - 4.6-6.8 QD1 ILE 56 - HB2 LEU 4 far 0 61 0 - 5.1-6.6 QD1 ILE 54 - HB3 LEU 4 far 0 97 0 - 5.6-7.7 QD1 ILE 54 - HB2 LEU 4 far 0 97 0 - 5.9-8.8 QG1 VAL 22 - HB3 LEU 4 far 0 99 0 - 8.3-9.7 QG1 VAL 22 - HB2 LEU 4 far 0 99 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (0.68, 1.44, 45.31 ppm; 3.26 A): 3 out of 10 assignments used, quality = 1.00: * QD2 LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.2-2.5 3.1=100 QD1 ILE 56 + HB3 LEU 4 OK 28 70 55 73 3.9-5.4 3.2/4464=14, 4492=14...(22) QG2 ILE 56 - HB3 LEU 4 far 4 73 5 - 2.3-6.4 QG2 ILE 56 - HB2 LEU 4 far 4 73 5 - 3.6-7.5 QD1 LEU 55 - HB3 LEU 4 far 0 98 0 - 4.8-7.4 QD1 ILE 56 - HB2 LEU 4 far 0 70 0 - 5.1-6.6 QD1 LEU 55 - HB2 LEU 4 far 0 98 0 - 5.6-8.4 QG2 ILE 97 - HB2 LEU 4 far 0 99 0 - 9.2-10.6 QG2 ILE 97 - HB3 LEU 4 far 0 99 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 HA LEU 4 + HB2 LEU 4 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 5 out of 12 assignments used, quality = 1.00: * QD1 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 ILE 71 + HB3 LEU 4 OK 45 87 100 52 3.0-4.4 9777=12, 9777/1.8=12...(15) QD1 ILE 71 + HB2 LEU 4 OK 45 87 100 52 3.0-4.2 9777=12, 9777/1.8=12...(14) QD1 ILE 56 + HB3 LEU 4 OK 24 61 55 70 3.9-5.4 3.2/4464=14, 4492=12...(22) QD1 ILE 5 - HB2 LEU 4 poor 13 65 20 - 4.6-7.1 QD1 ILE 5 - HB3 LEU 4 poor 13 65 20 - 4.6-6.8 QD1 ILE 56 - HB2 LEU 4 far 0 61 0 - 5.1-6.6 QD1 ILE 54 - HB3 LEU 4 far 0 97 0 - 5.6-7.7 QD1 ILE 54 - HB2 LEU 4 far 0 97 0 - 5.9-8.8 QG1 VAL 22 - HB3 LEU 4 far 0 99 0 - 8.3-9.7 QG1 VAL 22 - HB2 LEU 4 far 0 99 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (0.68, 1.44, 45.31 ppm; 3.26 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.1-3.2 3.1=100 * QD2 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.2-2.5 3.1=100 QD1 ILE 56 + HB3 LEU 4 OK 28 70 55 73 3.9-5.4 3.2/4464=14, 4492=14...(22) QG2 ILE 56 - HB3 LEU 4 far 4 73 5 - 2.3-6.4 QG2 ILE 56 - HB2 LEU 4 far 4 73 5 - 3.6-7.5 QD1 LEU 55 - HB3 LEU 4 far 0 98 0 - 4.8-7.4 QD1 ILE 56 - HB2 LEU 4 far 0 70 0 - 5.1-6.6 QD1 LEU 55 - HB2 LEU 4 far 0 98 0 - 5.6-8.4 QG2 ILE 97 - HB2 LEU 4 far 0 99 0 - 9.2-10.6 QG2 ILE 97 - HB3 LEU 4 far 0 99 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2381 from cnoeabs.peaks (9.08, 1.45, 28.19 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 4 + HG LEU 4 OK 100 100 100 100 2.3-4.5 1034/2.1=92, 2388/2.1=84...(10) H LEU 81 + HG LEU 80 OK 40 42 100 94 2.2-5.1 506/3.0=44, 504/4.3=41...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.5 3.7=100 Violated in 0 structures by 0.00 A. 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): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 4 + HG LEU 4 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 56 + HG LEU 4 OK 21 61 60 56 3.8-7.2 ~4477=9, ~4484=7...(17) QD1 ILE 54 - HG LEU 4 far 15 97 15 - 3.8-7.7 QD1 ILE 71 - HG LEU 4 far 13 87 15 - 4.1-5.9 QD1 ILE 5 - HG LEU 4 far 0 65 0 - 5.5-7.6 QD1 ILE 71 - HG LEU 80 far 0 59 0 - 6.2-10.0 QD1 ILE 56 - HG LEU 80 far 0 39 0 - 6.9-12.6 QD1 ILE 5 - HG LEU 80 far 0 42 0 - 8.6-10.3 QG1 VAL 22 - HG LEU 4 far 0 99 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (0.68, 1.45, 28.19 ppm; 2.97 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 4 + HG LEU 4 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 97 + HG LEU 80 OK 42 74 90 64 1.7-4.7 11107/3.0=18, ~9924=17...(8) QD1 ILE 56 + HG LEU 4 OK 22 70 55 57 3.8-7.2 ~4477=8, 4492/2.9=7...(18) QG2 ILE 56 - HG LEU 4 far 0 73 0 - 4.6-8.5 QD1 LEU 55 - HG LEU 4 far 0 98 0 - 5.2-8.9 QD1 ILE 56 - HG LEU 80 far 0 45 0 - 6.9-12.6 QD1 ILE 116 - HG LEU 80 far 0 75 0 - 7.0-11.2 QG2 ILE 56 - HG LEU 80 far 0 48 0 - 7.7-10.3 QD1 LEU 55 - HG LEU 80 far 0 71 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (9.08, 0.64, 25.46 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + QD1 LEU 4 OK 100 100 100 100 2.5-4.1 4.4=99, 1034/2.1=83...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.9 3.8=100 Violated in 7 structures by 0.01 A. Peak 2390 from cnoeabs.peaks (1.44, 0.64, 25.46 ppm; 2.83 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 4 + QD1 LEU 4 OK 93 100 100 93 2.2-3.2 3.1=77, 3.8/2388=20...(14) * HB2 LEU 4 + QD1 LEU 4 OK 93 100 100 93 2.3-2.5 3.1=77, 3.8/2388=20...(14) HG LEU 4 + QD1 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HG12 ILE 56 - QD1 LEU 4 poor 20 92 35 62 2.4-5.2 4477/2.1=14...(21) HG3 ARG 30 - QD1 LEU 4 far 0 77 0 - 6.4-9.5 HG3 LYS 44 - QD1 LEU 4 far 0 100 0 - 7.0-9.9 HB3 LEU 63 - QD1 LEU 4 far 0 90 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 2391 from cnoeabs.peaks (1.44, 0.64, 25.46 ppm; 2.83 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 4 + QD1 LEU 4 OK 93 100 100 93 2.2-3.2 3.1=77, 3.8/2388=20...(14) HB2 LEU 4 + QD1 LEU 4 OK 93 100 100 93 2.3-2.5 3.1=77, 3.8/2388=20...(14) HG LEU 4 + QD1 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HG12 ILE 56 - QD1 LEU 4 poor 20 92 35 62 2.4-5.2 4477/2.1=14...(21) HG3 ARG 30 - QD1 LEU 4 far 0 77 0 - 6.4-9.5 HG3 LYS 44 - QD1 LEU 4 far 0 100 0 - 7.0-9.9 HB3 LEU 63 - QD1 LEU 4 far 0 90 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 2392 from cnoeabs.peaks (1.45, 0.64, 25.46 ppm; 2.83 A): 3 out of 12 assignments used, quality = 1.00: * HG LEU 4 + QD1 LEU 4 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 4 + QD1 LEU 4 OK 75 81 100 93 2.3-2.5 3.1=77, 3.8/2388=20...(13) HB3 LEU 4 + QD1 LEU 4 OK 75 81 100 93 2.2-3.2 3.1=77, 3.8/2388=20...(13) HB2 LEU 74 - QD1 LEU 4 far 0 77 0 - 4.9-7.9 HG3 ARG 30 - QD1 LEU 4 far 0 100 0 - 6.4-9.5 HG3 LYS 44 - QD1 LEU 4 far 0 84 0 - 7.0-9.9 HB3 LEU 6 - QD1 LEU 4 far 0 97 0 - 7.2-8.8 HG12 ILE 57 - QD1 LEU 4 far 0 94 0 - 8.3-9.9 HB3 LEU 38 - QD1 LEU 4 far 0 92 0 - 8.5-11.8 HG2 LYS 49 - QD1 LEU 4 far 0 97 0 - 9.0-13.5 HG3 LYS 49 - QD1 LEU 4 far 0 97 0 - 9.8-13.3 HG12 ILE 7 - QD1 LEU 4 far 0 96 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * QD2 LEU 4 + QD1 LEU 4 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 56 - QD1 LEU 4 far 4 73 5 - 2.8-6.9 QD1 ILE 56 - QD1 LEU 4 far 3 70 5 - 3.1-5.3 QD1 LEU 55 - QD1 LEU 4 far 0 98 0 - 5.2-7.7 QG2 ILE 97 - QD1 LEU 4 far 0 99 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (9.08, 0.68, 25.98 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 4 + QD2 LEU 4 OK 100 100 100 100 2.9-4.2 4.4=100 H LEU 4 - QD1 LEU 55 far 0 55 0 - 6.2-8.7 H LEU 81 - QD1 LEU 55 far 0 29 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (5.46, 0.68, 25.98 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 4 + QD2 LEU 4 OK 100 100 100 100 2.0-3.9 3.8=100 HA LEU 4 + QD1 LEU 55 OK 21 55 85 44 4.1-6.6 9/14=21, 2366=20...(4) Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.44, 0.68, 25.98 ppm; 2.83 A): 4 out of 15 assignments used, quality = 1.00: HB3 LEU 4 + QD2 LEU 4 OK 92 100 100 92 2.2-2.5 3.1=77, 3.8/1034=23...(11) * HB2 LEU 4 + QD2 LEU 4 OK 92 100 100 92 2.1-3.2 3.1=77, 3.8/1034=23...(10) HG LEU 4 + QD2 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HG12 ILE 56 + QD2 LEU 4 OK 44 92 85 56 2.6-5.6 4477=14, 2.9/10734=8...(18) HG12 ILE 56 - QD1 LEU 55 far 0 46 0 - 4.5-8.2 HB3 LEU 4 - QD1 LEU 55 far 0 55 0 - 4.8-7.4 HG3 ARG 30 - QD1 LEU 55 far 0 36 0 - 5.0-8.9 HG LEU 4 - QD1 LEU 55 far 0 38 0 - 5.2-8.9 HG3 ARG 30 - QD2 LEU 4 far 0 77 0 - 5.3-8.5 HB2 LEU 4 - QD1 LEU 55 far 0 55 0 - 5.6-8.4 HG3 LYS 44 - QD2 LEU 4 far 0 100 0 - 5.6-9.5 HG LEU 80 - QD1 LEU 55 far 0 54 0 - 8.1-11.2 HG3 LYS 17 - QD1 LEU 55 far 0 49 0 - 9.2-12.5 HB3 LEU 63 - QD1 LEU 55 far 0 44 0 - 9.5-12.7 HB3 LEU 63 - QD2 LEU 4 far 0 90 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (1.44, 0.68, 25.98 ppm; 2.83 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LEU 4 + QD2 LEU 4 OK 92 100 100 92 2.2-2.5 3.1=77, 3.8/1034=23...(11) HB2 LEU 4 + QD2 LEU 4 OK 92 100 100 92 2.1-3.2 3.1=77, 3.8/1034=23...(10) HG LEU 4 + QD2 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HG12 ILE 56 + QD2 LEU 4 OK 44 92 85 56 2.6-5.6 4477=14, 2.9/10734=8...(18) HG12 ILE 56 - QD1 LEU 55 far 0 46 0 - 4.5-8.2 HB3 LEU 4 - QD1 LEU 55 far 0 55 0 - 4.8-7.4 HG3 ARG 30 - QD1 LEU 55 far 0 36 0 - 5.0-8.9 HG LEU 4 - QD1 LEU 55 far 0 38 0 - 5.2-8.9 HG3 ARG 30 - QD2 LEU 4 far 0 77 0 - 5.3-8.5 HB2 LEU 4 - QD1 LEU 55 far 0 55 0 - 5.6-8.4 HG3 LYS 44 - QD2 LEU 4 far 0 100 0 - 5.6-9.5 HG LEU 80 - QD1 LEU 55 far 0 54 0 - 8.1-11.2 HG3 LYS 17 - QD1 LEU 55 far 0 49 0 - 9.2-12.5 HB3 LEU 63 - QD1 LEU 55 far 0 44 0 - 9.5-12.7 HB3 LEU 63 - QD2 LEU 4 far 0 90 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (1.45, 0.68, 25.98 ppm; 2.83 A): 3 out of 21 assignments used, quality = 1.00: * HG LEU 4 + QD2 LEU 4 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 4 + QD2 LEU 4 OK 74 81 100 92 2.1-3.2 3.1=77, 3.8/1034=23...(10) HB3 LEU 4 + QD2 LEU 4 OK 74 81 100 92 2.2-2.5 3.1=77, 3.8/1034=23...(10) HG12 ILE 7 - QD1 LEU 55 poor 12 49 50 47 2.9-5.5 ~11617=18, 2510/2.1=12...(8) HG12 ILE 57 - QD1 LEU 55 poor 6 48 50 26 2.4-7.4 11136/2.1=10, ~11138=5...(8) HB3 LEU 4 - QD1 LEU 55 far 0 38 0 - 4.8-7.4 HG3 ARG 30 - QD1 LEU 55 far 0 55 0 - 5.0-8.9 HG LEU 4 - QD1 LEU 55 far 0 55 0 - 5.2-8.9 HB2 LEU 74 - QD2 LEU 4 far 0 77 0 - 5.3-8.9 HG3 ARG 30 - QD2 LEU 4 far 0 100 0 - 5.3-8.5 HB2 LEU 4 - QD1 LEU 55 far 0 38 0 - 5.6-8.4 HG3 LYS 44 - QD2 LEU 4 far 0 84 0 - 5.6-9.5 HB3 LEU 6 - QD1 LEU 55 far 0 51 0 - 5.7-8.5 HB3 LEU 6 - QD2 LEU 4 far 0 97 0 - 7.3-8.9 HG12 ILE 57 - QD2 LEU 4 far 0 94 0 - 7.6-9.5 HG LEU 80 - QD1 LEU 55 far 0 46 0 - 8.1-11.2 HB3 LEU 38 - QD2 LEU 4 far 0 92 0 - 8.1-11.6 HG3 LYS 49 - QD2 LEU 4 far 0 97 0 - 9.0-13.5 HG12 ILE 7 - QD2 LEU 4 far 0 96 0 - 9.4-10.9 HG2 LYS 49 - QD2 LEU 4 far 0 97 0 - 9.4-13.6 HB3 LEU 38 - QD1 LEU 55 far 0 46 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (0.64, 0.68, 25.98 ppm; 2.40 A): 2 out of 13 assignments used, quality = 1.00: * QD1 LEU 4 + QD2 LEU 4 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 22 + QD1 LEU 55 OK 28 54 90 58 1.9-4.0 11117/2.1=12...(12) QD1 ILE 5 - QD1 LEU 55 poor 19 29 65 - 2.8-5.7 QD1 ILE 54 - QD2 LEU 4 poor 15 97 30 53 3.0-5.4 3.2/10734=15, ~10735=8...(13) QD1 ILE 71 - QD2 LEU 4 poor 13 87 60 25 2.6-5.3 9777/3.1=4, 9777/3.1=4...(8) QD1 ILE 56 - QD2 LEU 4 poor 10 61 45 36 3.2-5.3 2.1/4477=7, 2386/2.1=6...(12) QD1 ILE 56 - QD1 LEU 55 far 0 27 0 - 3.9-6.1 QD1 ILE 5 - QD2 LEU 4 far 0 65 0 - 4.4-7.5 QD1 LEU 4 - QD1 LEU 55 far 0 55 0 - 5.2-7.7 QD1 ILE 54 - QD1 LEU 55 far 0 51 0 - 5.9-7.5 QD1 ILE 71 - QD1 LEU 55 far 0 42 0 - 5.9-8.7 HG13 ILE 15 - QD1 LEU 55 far 0 52 0 - 7.0-10.8 QG1 VAL 22 - QD2 LEU 4 far 0 99 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB ILE 5 + HA ILE 5 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 64 - HA ILE 5 far 0 99 0 - 8.3-10.3 HB ILE 116 - HA ILE 5 far 0 73 0 - 9.5-11.3 HB2 ARG 30 - HA ILE 5 far 0 96 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 2405 from cnoeabs.peaks (0.84, 4.83, 60.54 ppm; 6.20 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 5 + HA ILE 5 OK 100 100 100 100 2.1-2.6 3.2=100 HG13 ILE 5 + HA ILE 5 OK 99 99 100 100 2.7-3.9 3.9=100 QG2 ILE 57 - HA ILE 5 poor 20 100 20 - 6.5-9.8 QG2 VAL 22 - HA ILE 5 far 4 84 5 - 7.6-9.8 HG13 ILE 57 - HA ILE 5 far 0 65 0 - 7.9-10.6 QD2 LEU 82 - HA ILE 5 far 0 73 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (1.81, 4.83, 60.54 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 5 + HA ILE 5 OK 100 100 100 100 2.4-3.9 3.9=100 HB ILE 3 + HA ILE 5 OK 66 100 80 82 6.8-7.9 2.1/2336=42, ~9007=37...(5) HB2 LEU 64 - HA ILE 5 far 0 65 0 - 8.7-11.4 HB3 ARG 105 - HA ILE 5 far 0 94 0 - 9.4-10.7 HB ILE 57 - HA ILE 5 far 0 73 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (0.85, 4.83, 60.54 ppm; 6.20 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 5 + HA ILE 5 OK 100 100 100 100 2.7-3.9 3.9=100 QG2 ILE 5 + HA ILE 5 OK 99 99 100 100 2.1-2.6 3.2=100 QG2 VAL 117 + HA ILE 5 OK 25 61 50 81 7.0-8.4 ~10943=39, ~10938=39...(6) QG2 ILE 57 - HA ILE 5 poor 20 98 20 - 6.5-9.8 QG2 VAL 22 - HA ILE 5 far 5 96 5 - 7.6-9.8 HG13 ILE 57 - HA ILE 5 far 0 84 0 - 7.9-10.6 QG2 THR 9 - HA ILE 5 far 0 70 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 2408 from cnoeabs.peaks (0.62, 4.83, 60.54 ppm; 5.97 A): 4 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + HA ILE 5 OK 100 100 100 100 2.1-3.9 4.2=100 QG1 VAL 78 + HA ILE 5 OK 94 94 100 100 2.0-2.9 4.1/9894=84, 9888/3.6=62...(16) QD1 LEU 4 + HA ILE 5 OK 64 65 100 98 5.9-6.1 7313/3.0=52, ~7312=52...(11) QG1 VAL 22 + HA ILE 5 OK 33 81 90 46 6.6-7.7 2436/3.9=19, 2415/3.0=17...(5) QD1 ILE 18 - HA ILE 5 far 0 90 0 - 8.1-8.9 QD1 ILE 54 - HA ILE 5 far 0 90 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (8.77, 1.65, 39.53 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 5 + HB ILE 5 OK 100 100 100 100 2.3-2.9 3.9=100 H VAL 29 - HB ILE 5 far 0 90 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 2410 from cnoeabs.peaks (4.83, 1.65, 39.53 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 5 + HB ILE 5 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 54 + HB ILE 5 OK 53 84 95 67 7.0-8.0 ~10802=18, 2431/2.9=15...(9) HA ILE 3 - HB ILE 5 far 10 97 10 - 7.5-8.7 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * QG2 ILE 5 + HB ILE 5 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 5 + HB ILE 5 OK 99 99 100 100 2.3-3.0 2.9=100 QG2 ILE 57 - HB ILE 5 far 5 100 5 - 4.8-8.3 QG2 VAL 22 - HB ILE 5 far 4 84 5 - 5.0-7.3 HG13 ILE 57 - HB ILE 5 far 0 65 0 - 5.7-8.3 QG2 ILE 15 - HB ILE 5 far 0 98 0 - 8.5-10.6 QD1 LEU 14 - HB ILE 5 far 0 65 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (1.81, 1.65, 39.53 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 5 + HB ILE 5 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 3 - HB ILE 5 far 0 100 0 - 6.8-8.6 HB ILE 18 - HB ILE 5 far 0 81 0 - 7.9-9.6 HB ILE 57 - HB ILE 5 far 0 73 0 - 8.1-10.0 HB2 LEU 64 - HB ILE 5 far 0 65 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2414 from cnoeabs.peaks (0.85, 1.65, 39.53 ppm; 3.61 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 5 + HB ILE 5 OK 100 100 100 100 2.3-3.0 2.9=100 QG2 ILE 5 + HB ILE 5 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 ILE 57 - HB ILE 5 far 5 98 5 - 4.8-8.3 QG2 VAL 22 - HB ILE 5 far 5 96 5 - 5.0-7.3 QG2 VAL 117 - HB ILE 5 far 0 61 0 - 5.6-7.1 HG13 ILE 57 - HB ILE 5 far 0 84 0 - 5.7-8.3 QG2 ILE 15 - HB ILE 5 far 0 100 0 - 8.5-10.6 QG2 THR 9 - HB ILE 5 far 0 70 0 - 8.7-9.8 QD1 LEU 14 - HB ILE 5 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (0.62, 1.65, 39.53 ppm; 4.00 A): 3 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + HB ILE 5 OK 100 100 100 100 2.3-3.2 3.2=100 QG1 VAL 78 + HB ILE 5 OK 72 94 100 77 4.5-5.4 9888/4.5=23, 2422/2.1=21...(10) QG1 VAL 22 + HB ILE 5 OK 36 81 100 44 4.2-5.2 2436/2.9=13, 3166/2.1=9...(9) QD1 LEU 4 - HB ILE 5 far 0 65 0 - 6.1-7.0 QD1 ILE 18 - HB ILE 5 far 0 90 0 - 6.3-7.6 QD1 ILE 54 - HB ILE 5 far 0 90 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 2416 from cnoeabs.peaks (8.77, 0.84, 17.12 ppm; 4.97 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 5 + QG2 ILE 5 OK 100 100 100 100 3.7-4.0 4.0=100 H ILE 18 + QG2 ILE 15 OK 38 50 100 76 4.8-5.6 1993/3.2=35, 1985/78=30...(7) H VAL 29 - QG2 ILE 15 far 0 81 0 - 7.0-9.2 H ILE 18 - QG2 ILE 5 far 0 57 0 - 8.1-9.8 H VAL 29 - QG2 ILE 5 far 0 90 0 - 9.2-10.6 H ILE 5 - QG2 ILE 15 far 0 95 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2417 from cnoeabs.peaks (4.83, 0.84, 17.12 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 5 + QG2 ILE 5 OK 100 100 100 100 2.1-2.6 3.2=100 HA ILE 3 - QG2 ILE 5 far 0 97 0 - 6.8-7.9 HA ILE 54 - QG2 ILE 5 far 0 84 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (1.65, 0.84, 17.12 ppm; 3.32 A): 1 out of 15 assignments used, quality = 1.00: * HB ILE 5 + QG2 ILE 5 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 16 - QG2 ILE 15 poor 17 54 75 43 3.8-6.0 1106/78=34, ~9179=8 HB ILE 116 - QG2 ILE 5 far 0 73 0 - 6.0-7.4 HB2 ARG 30 - QG2 ILE 15 far 0 88 0 - 7.1-8.9 HG LEU 64 - QG2 ILE 5 far 0 99 0 - 7.4-9.3 HG LEU 114 - QG2 ILE 15 far 0 92 0 - 7.4-10.4 HB2 ARG 30 - QG2 ILE 5 far 0 96 0 - 8.4-10.8 HB ILE 5 - QG2 ILE 15 far 0 95 0 - 8.5-10.6 HG LEU 114 - QG2 ILE 5 far 0 99 0 - 8.8-11.2 HD3 LYS 115 - QG2 ILE 5 far 0 84 0 - 8.9-12.1 HB3 LEU 64 - QG2 ILE 5 far 0 70 0 - 9.1-10.5 HB3 LEU 64 - QG2 ILE 15 far 0 62 0 - 9.1-11.7 HG LEU 64 - QG2 ILE 15 far 0 93 0 - 9.3-11.7 HB2 GLU 52 - QG2 ILE 5 far 0 92 0 - 9.4-13.7 HD2 LYS 115 - QG2 ILE 5 far 0 92 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. 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): 3 out of 15 assignments used, quality = 1.00: * HG12 ILE 5 + QG2 ILE 5 OK 100 100 100 100 2.2-3.2 3.2=100 HB ILE 57 + QG2 ILE 15 OK 55 65 100 84 2.7-4.3 ~9556=24, 4505=21...(13) HB ILE 18 + QG2 ILE 15 OK 47 72 95 68 4.1-5.1 7985/3.2=31, ~9190=19...(9) HB2 LYS 19 - QG2 ILE 15 far 8 54 15 - 4.6-5.5 HB2 LEU 14 - QG2 ILE 15 far 0 65 0 - 5.2-5.7 HB ILE 18 - QG2 ILE 5 far 0 81 0 - 6.1-8.2 HB ILE 3 - QG2 ILE 5 far 0 100 0 - 6.7-8.1 HB3 ARG 105 - QG2 ILE 5 far 0 94 0 - 6.7-8.1 HG2 ARG 105 - QG2 ILE 5 far 0 100 0 - 7.1-8.9 HB2 ARG 118 - QG2 ILE 5 far 0 96 0 - 7.5-8.4 HB ILE 57 - QG2 ILE 5 far 0 73 0 - 7.6-9.3 HB2 LEU 64 - QG2 ILE 5 far 0 65 0 - 7.9-10.2 HB2 LEU 64 - QG2 ILE 15 far 0 58 0 - 8.1-10.9 HB2 LEU 14 - QG2 ILE 5 far 0 73 0 - 8.6-11.0 HB2 LYS 19 - QG2 ILE 5 far 0 61 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. 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): 4 out of 13 assignments used, quality = 1.00: * QD1 ILE 5 + QG2 ILE 5 OK 100 100 100 100 1.8-2.2 3.0=98, 2439/2.1=43...(27) HG13 ILE 15 + QG2 ILE 15 OK 75 78 100 96 2.4-2.5 3.2=77, 2.1/2698=35...(10) QG1 VAL 78 + QG2 ILE 5 OK 61 94 100 65 3.1-4.2 2415/2.1=13, 21/18=11...(18) QG1 VAL 22 + QG2 ILE 5 OK 20 81 65 39 3.7-4.9 3166=8, 2436/3.2=6...(14) QD1 ILE 18 - QG2 ILE 15 poor 10 81 25 49 3.9-5.5 9192/3.2=15, ~9190=10...(9) QD1 ILE 18 - QG2 ILE 5 far 0 90 0 - 4.9-5.9 QG1 VAL 22 - QG2 ILE 15 far 0 72 0 - 6.4-7.2 QD1 LEU 4 - QG2 ILE 5 far 0 65 0 - 6.4-6.8 QD1 ILE 54 - QG2 ILE 5 far 0 90 0 - 8.1-9.7 QD1 ILE 5 - QG2 ILE 15 far 0 95 0 - 8.4-11.3 HG13 ILE 15 - QG2 ILE 5 far 0 87 0 - 8.7-12.3 QG1 VAL 78 - QG2 ILE 15 far 0 86 0 - 9.3-11.3 QD1 ILE 54 - QG2 ILE 15 far 0 81 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 2423 from cnoeabs.peaks (8.77, 1.81, 27.65 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 5 + HG12 ILE 5 OK 100 100 100 100 1.9-4.4 4.6=100 H VAL 29 - HG12 ILE 5 far 0 90 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (4.83, 1.81, 27.65 ppm; 5.14 A): 3 out of 3 assignments used, quality = 1.00: * HA ILE 5 + HG12 ILE 5 OK 100 100 100 100 2.4-3.9 3.9=100 HA ILE 3 + HG12 ILE 5 OK 47 97 50 97 5.5-8.0 3.2/10739=70, ~11534=32...(11) HA ILE 54 + HG12 ILE 5 OK 22 84 40 66 5.7-9.6 3.0/10802=22...(9) Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (1.65, 1.81, 27.65 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 5 + HG12 ILE 5 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 52 - HG12 ILE 5 far 0 92 0 - 7.6-14.6 HB ILE 116 - HG12 ILE 5 far 0 73 0 - 9.3-12.5 HB2 ARG 30 - HG12 ILE 5 far 0 96 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (0.84, 1.81, 27.65 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 5 + HG12 ILE 5 OK 100 100 100 100 2.2-3.2 3.2=100 HG13 ILE 5 + HG12 ILE 5 OK 99 99 100 100 1.8-1.8 1.8=100 QG2 VAL 22 - HG12 ILE 5 far 0 84 0 - 5.2-8.4 QG2 ILE 57 - HG12 ILE 5 far 0 100 0 - 6.7-10.4 HG13 ILE 57 - HG12 ILE 5 far 0 65 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG13 ILE 5 + HG12 ILE 5 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 5 + HG12 ILE 5 OK 99 99 100 100 2.2-3.2 3.2=100 QG2 VAL 22 - HG12 ILE 5 far 0 96 0 - 5.2-8.4 QG2 VAL 117 - HG12 ILE 5 far 0 61 0 - 6.1-8.5 QG2 ILE 57 - HG12 ILE 5 far 0 98 0 - 6.7-10.4 HG13 ILE 57 - HG12 ILE 5 far 0 84 0 - 7.8-10.7 QG2 THR 9 - HG12 ILE 5 far 0 70 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 2429 from cnoeabs.peaks (0.62, 1.81, 27.65 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + HG12 ILE 5 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 78 + HG12 ILE 5 OK 42 94 60 74 4.0-6.2 2415/2.9=20...(11) QD1 LEU 4 - HG12 ILE 5 poor 16 65 25 - 4.9-7.8 QG1 VAL 22 - HG12 ILE 5 poor 15 81 35 52 4.1-6.6 2436/1.8=15...(10) QD1 ILE 54 - HG12 ILE 5 far 0 90 0 - 7.3-10.8 QD1 ILE 18 - HG12 ILE 5 far 0 90 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 2430 from cnoeabs.peaks (8.77, 0.85, 27.65 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.0-4.1 4.6=100 H VAL 29 + HG13 ILE 57 OK 38 55 80 86 6.1-9.0 9242/2.1=43, ~9572=36...(7) H ILE 5 - HG13 ILE 57 poor 8 68 40 30 6.8-9.3 9529/11248=24...(3) H ILE 18 - HG13 ILE 57 poor 8 32 25 - 7.1-9.6 H VAL 29 - HG13 ILE 5 far 0 90 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 2431 from cnoeabs.peaks (4.83, 0.85, 27.65 ppm; 6.20 A): 3 out of 5 assignments used, quality = 1.00: * HA ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.7-3.9 3.9=100 HA ILE 3 + HG13 ILE 5 OK 77 97 80 99 5.7-8.0 ~10739=71, 3.2/9007=47...(11) HA ILE 54 + HG13 ILE 5 OK 46 84 75 73 6.2-8.4 2410/2.9=26, ~10802=22...(9) HA ILE 5 - HG13 ILE 57 far 0 68 0 - 7.9-10.6 HA ILE 54 - HG13 ILE 57 far 0 50 0 - 8.0-9.9 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (1.65, 0.85, 27.65 ppm; 4.50 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 30 - HG13 ILE 57 poor 12 61 45 44 4.2-7.2 3357/1.8=19, ~3365=19, ~3349=15 HB ILE 5 - HG13 ILE 57 far 3 68 5 - 5.7-8.3 HG2 LYS 16 - HG13 ILE 57 far 0 35 0 - 8.5-11.7 HB2 GLU 52 - HG13 ILE 5 far 0 92 0 - 8.6-14.2 HG LEU 64 - HG13 ILE 57 far 0 66 0 - 8.9-12.7 HB ILE 116 - HG13 ILE 5 far 0 73 0 - 9.2-12.0 HB2 ARG 30 - HG13 ILE 5 far 0 96 0 - 9.3-12.6 HB3 LEU 64 - HG13 ILE 57 far 0 40 0 - 9.4-11.9 HG LEU 114 - HG13 ILE 57 far 0 65 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 2433 from cnoeabs.peaks (0.84, 0.85, 27.65 ppm; diagonal): 2 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): 2 out of 10 assignments used, quality = 1.00: * HG12 ILE 5 + HG13 ILE 5 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 57 + HG13 ILE 57 OK 43 43 100 100 2.3-3.0 2.9=100 HB ILE 3 - HG13 ILE 5 far 5 100 5 - 5.0-7.1 HB ILE 18 - HG13 ILE 57 far 2 48 5 - 5.0-7.8 HB2 LYS 19 - HG13 ILE 57 far 0 35 0 - 6.2-8.5 HB2 LEU 14 - HG13 ILE 57 far 0 43 0 - 7.0-11.2 HG12 ILE 5 - HG13 ILE 57 far 0 68 0 - 7.8-10.7 HB2 LEU 64 - HG13 ILE 57 far 0 37 0 - 8.3-11.3 HB2 ARG 118 - HG13 ILE 5 far 0 96 0 - 8.5-10.4 HB ILE 18 - HG13 ILE 5 far 0 81 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. 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): 3 out of 13 assignments used, quality = 1.00: * QD1 ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 22 + HG13 ILE 5 OK 34 81 70 60 4.0-6.6 10594/11535=10...(15) QG1 VAL 78 + HG13 ILE 5 OK 29 94 40 78 4.3-6.3 2429/1.8=20, 2415/2.9=20...(14) QD1 ILE 18 - HG13 ILE 57 poor 14 55 25 - 4.3-7.5 QD1 LEU 4 - HG13 ILE 5 poor 13 65 20 - 5.1-7.8 QG1 VAL 22 - HG13 ILE 57 far 7 48 15 - 5.0-7.7 HG13 ILE 15 - HG13 ILE 57 far 3 53 5 - 5.3-8.7 QD1 ILE 5 - HG13 ILE 57 far 0 68 0 - 6.9-10.1 QD1 ILE 54 - HG13 ILE 57 far 0 55 0 - 7.0-9.7 QD1 ILE 18 - HG13 ILE 5 far 0 90 0 - 7.5-9.2 QG1 VAL 78 - HG13 ILE 57 far 0 59 0 - 7.5-10.2 QD1 ILE 54 - HG13 ILE 5 far 0 90 0 - 7.7-10.4 QD1 LEU 4 - HG13 ILE 57 far 0 37 0 - 7.9-10.8 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (8.77, 0.62, 13.41 ppm; 4.03 A): 2 out of 9 assignments used, quality = 0.95: * H ILE 5 + QD1 ILE 5 OK 92 100 100 92 2.4-4.3 5.0=52, 3.9/2439=47...(13) H ILE 18 + QD1 ILE 18 OK 37 38 100 98 3.0-3.8 3.0/2906=54, 4.0/2920=53...(13) H VAL 29 - QD1 ILE 54 poor 19 64 45 65 4.7-7.0 4.6/11481=30...(5) H ILE 5 - QD1 ILE 54 far 0 78 0 - 6.6-8.2 H MET 42 - QD1 ILE 54 far 0 56 0 - 6.9-9.3 H VAL 29 - QD1 ILE 5 far 0 90 0 - 8.0-11.5 H ILE 5 - QD1 ILE 18 far 0 78 0 - 8.4-9.4 H ILE 18 - QD1 ILE 5 far 0 57 0 - 9.1-12.2 H VAL 29 - QD1 ILE 18 far 0 64 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 2438 from cnoeabs.peaks (4.83, 0.62, 13.41 ppm; 4.05 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 5 + QD1 ILE 5 OK 100 100 100 100 2.1-3.9 4.2=93, 3.0/2439=60...(12) HA ILE 3 + QD1 ILE 5 OK 61 97 75 84 4.1-6.7 ~10739=28, 3.2/9009=23...(13) HA ILE 54 + QD1 ILE 54 OK 59 59 100 100 2.0-3.8 4.2=92, 3.2/4407=47...(12) HA ILE 54 - QD1 ILE 5 far 0 84 0 - 6.1-8.0 HA ILE 3 - QD1 ILE 54 far 0 72 0 - 7.3-10.2 HA ILE 5 - QD1 ILE 18 far 0 78 0 - 8.1-8.9 HA ILE 5 - QD1 ILE 54 far 0 78 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (1.65, 0.62, 13.41 ppm; 3.21 A): 2 out of 20 assignments used, quality = 1.00: * HB ILE 5 + QD1 ILE 5 OK 100 100 100 100 2.3-3.2 3.2=99, 2.1/2440=31...(11) HG LEU 114 + QD1 ILE 18 OK 24 75 35 92 2.9-5.7 11519/11652=33...(11) HB2 GLU 52 - QD1 ILE 54 poor 20 66 30 - 4.1-6.8 HB2 ARG 30 - QD1 ILE 54 poor 18 71 25 - 4.4-6.0 HB ILE 116 - QD1 ILE 18 far 0 50 0 - 5.2-6.7 HG2 LYS 16 - QD1 ILE 18 far 0 41 0 - 6.2-8.6 HD2 LYS 115 - QD1 ILE 18 far 0 66 0 - 6.3-10.6 HB ILE 5 - QD1 ILE 18 far 0 78 0 - 6.3-7.6 HD3 LYS 115 - QD1 ILE 18 far 0 59 0 - 6.7-10.4 HB2 GLU 52 - QD1 ILE 5 far 0 92 0 - 6.8-11.7 HD2 LYS 49 - QD1 ILE 54 far 0 72 0 - 7.7-14.1 HB ILE 116 - QD1 ILE 5 far 0 73 0 - 7.8-9.8 HB ILE 5 - QD1 ILE 54 far 0 78 0 - 8.0-9.7 HG LEU 64 - QD1 ILE 18 far 0 76 0 - 8.5-11.0 HD3 LYS 49 - QD1 ILE 54 far 0 72 0 - 8.9-13.6 HB3 LEU 64 - QD1 ILE 18 far 0 47 0 - 9.3-10.6 HG LEU 64 - QD1 ILE 5 far 0 99 0 - 9.3-11.5 HB2 ARG 30 - QD1 ILE 5 far 0 96 0 - 9.5-11.6 HD2 LYS 115 - QD1 ILE 5 far 0 92 0 - 9.7-13.5 HB2 ARG 30 - QD1 ILE 18 far 0 71 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (0.84, 0.62, 13.41 ppm; 2.57 A): 3 out of 22 assignments used, quality = 1.00: HG13 ILE 5 + QD1 ILE 5 OK 99 99 100 100 2.1-2.1 2.1=100 * QG2 ILE 5 + QD1 ILE 5 OK 95 100 100 95 1.8-2.2 3.0=65, 2.1/2439=33...(26) QD1 LEU 14 + QD1 ILE 18 OK 36 44 100 82 1.9-2.7 2.1/11651=32, 11652=29...(13) QG2 ILE 57 - QD1 ILE 18 poor 12 78 60 26 2.7-4.8 4515/2.9=9, 4511/3.2=7...(7) QG2 ILE 15 - QD1 ILE 18 far 4 74 5 - 3.9-5.5 HG13 ILE 57 - QD1 ILE 18 far 0 44 0 - 4.3-7.5 QG2 VAL 22 - QD1 ILE 5 far 0 84 0 - 4.8-8.2 QG2 VAL 22 - QD1 ILE 18 far 0 59 0 - 4.8-5.9 QG2 ILE 5 - QD1 ILE 18 far 0 78 0 - 4.9-5.9 QD2 LEU 82 - QD1 ILE 18 far 0 50 0 - 6.6-7.4 QG2 ILE 57 - QD1 ILE 5 far 0 100 0 - 6.7-9.4 HG13 ILE 57 - QD1 ILE 5 far 0 65 0 - 6.9-10.1 HG13 ILE 57 - QD1 ILE 54 far 0 44 0 - 7.0-9.7 QG2 VAL 22 - QD1 ILE 54 far 0 59 0 - 7.2-8.7 HG13 ILE 5 - QD1 ILE 18 far 0 75 0 - 7.5-9.2 HG13 ILE 5 - QD1 ILE 54 far 0 75 0 - 7.7-10.4 QG2 ILE 5 - QD1 ILE 54 far 0 78 0 - 8.1-9.7 QG2 ILE 57 - QD1 ILE 54 far 0 78 0 - 8.3-9.8 QG2 ILE 15 - QD1 ILE 5 far 0 98 0 - 8.4-11.3 QD1 LEU 14 - QD1 ILE 5 far 0 65 0 - 8.6-10.9 QG2 ILE 15 - QD1 ILE 54 far 0 74 0 - 9.4-11.4 QD2 LEU 82 - QD1 ILE 5 far 0 73 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (1.81, 0.62, 13.41 ppm; 2.92 A): 4 out of 21 assignments used, quality = 1.00: * HG12 ILE 5 + QD1 ILE 5 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 18 + QD1 ILE 18 OK 55 56 100 98 2.1-2.5 3.2=74, 2.1/2920=55...(18) HB2 LEU 14 + QD1 ILE 18 OK 44 50 100 88 2.0-4.2 3.1/11652=40...(15) HB ILE 3 + QD1 ILE 5 OK 32 100 50 64 3.7-6.1 ~10739=17, 2.1/9009=14...(12) HB ILE 57 - QD1 ILE 18 far 0 50 0 - 4.7-7.7 HB2 ARG 118 - QD1 ILE 5 far 0 96 0 - 6.4-8.9 HB2 LYS 19 - QD1 ILE 18 far 0 41 0 - 6.9-7.6 HG12 ILE 5 - QD1 ILE 54 far 0 78 0 - 7.3-10.8 HB ILE 18 - QD1 ILE 5 far 0 81 0 - 7.3-10.7 HG12 ILE 5 - QD1 ILE 18 far 0 78 0 - 7.5-9.4 HB3 ARG 105 - QD1 ILE 5 far 0 94 0 - 7.8-9.8 HB3 ARG 105 - QD1 ILE 18 far 0 69 0 - 7.9-9.8 HB ILE 3 - QD1 ILE 54 far 0 78 0 - 8.1-10.1 HB2 ARG 118 - QD1 ILE 18 far 0 71 0 - 8.2-9.6 HG2 ARG 105 - QD1 ILE 18 far 0 78 0 - 8.3-10.0 HG2 ARG 105 - QD1 ILE 5 far 0 100 0 - 8.5-10.8 HB2 LEU 64 - QD1 ILE 18 far 0 44 0 - 8.6-10.5 HB ILE 57 - QD1 ILE 54 far 0 50 0 - 8.6-11.2 HB ILE 57 - QD1 ILE 5 far 0 73 0 - 9.4-11.5 HB2 LYS 19 - QD1 ILE 5 far 0 61 0 - 9.5-13.4 HB2 LYS 19 - QD1 ILE 54 far 0 41 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2442 from cnoeabs.peaks (0.85, 0.62, 13.41 ppm; 2.57 A): 4 out of 24 assignments used, quality = 1.00: * HG13 ILE 5 + QD1 ILE 5 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 5 + QD1 ILE 5 OK 94 99 100 95 1.8-2.2 3.0=65, 2.1/2439=33...(26) QD1 LEU 14 + QD1 ILE 18 OK 51 59 100 86 1.9-2.7 11652=41, 2.1/11651=32...(14) QG2 VAL 117 + QD1 ILE 18 OK 27 41 100 66 1.8-3.1 10524=24, 10520/2.1=14...(14) QG2 THR 9 - QD1 ILE 18 poor 17 47 100 37 2.4-3.4 9118=8, 10756/11651=7...(10) QG2 ILE 57 - QD1 ILE 18 poor 12 74 60 26 2.7-4.8 4515/2.9=8, 4511/3.2=7...(7) QG2 ILE 15 - QD1 ILE 18 far 4 78 5 - 3.9-5.5 HG13 ILE 57 - QD1 ILE 18 far 0 59 0 - 4.3-7.5 QG2 VAL 22 - QD1 ILE 5 far 0 96 0 - 4.8-8.2 QG2 VAL 117 - QD1 ILE 5 far 0 61 0 - 4.8-7.1 QG2 VAL 22 - QD1 ILE 18 far 0 71 0 - 4.8-5.9 QG2 ILE 5 - QD1 ILE 18 far 0 75 0 - 4.9-5.9 QG2 ILE 57 - QD1 ILE 5 far 0 98 0 - 6.7-9.4 HG13 ILE 57 - QD1 ILE 5 far 0 84 0 - 6.9-10.1 HG13 ILE 57 - QD1 ILE 54 far 0 59 0 - 7.0-9.7 QG2 VAL 22 - QD1 ILE 54 far 0 71 0 - 7.2-8.7 HG13 ILE 5 - QD1 ILE 18 far 0 78 0 - 7.5-9.2 HG13 ILE 5 - QD1 ILE 54 far 0 78 0 - 7.7-10.4 QG2 THR 9 - QD1 ILE 5 far 0 70 0 - 8.1-10.3 QG2 ILE 5 - QD1 ILE 54 far 0 75 0 - 8.1-9.7 QG2 ILE 57 - QD1 ILE 54 far 0 74 0 - 8.3-9.8 QG2 ILE 15 - QD1 ILE 5 far 0 100 0 - 8.4-11.3 QD1 LEU 14 - QD1 ILE 5 far 0 84 0 - 8.6-10.9 QG2 ILE 15 - QD1 ILE 54 far 0 78 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LEU 6 + HA LEU 6 OK 100 100 100 100 2.6-2.7 3.0=100 HG LEU 6 + HA LEU 6 OK 87 87 100 100 3.6-3.7 3.6=100 HB3 ARG 30 - HA LEU 6 far 0 98 0 - 7.4-9.1 HG2 ARG 30 - HA LEU 6 far 0 90 0 - 8.6-10.2 QB ALA 124 - HA LEU 6 far 0 99 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (1.46, 5.35, 53.00 ppm; 3.96 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 100 100 2.9-3.0 3.0=100 HG12 ILE 7 + HA LEU 6 OK 32 100 40 80 4.9-6.0 2507/23=43, 2.1/11340=33...(6) HG12 ILE 57 - HA LEU 6 far 0 100 0 - 5.5-7.7 HG LEU 80 - HA LEU 6 far 0 70 0 - 6.2-8.3 HG LEU 4 - HA LEU 6 far 0 97 0 - 7.0-8.7 HG3 ARG 30 - HA LEU 6 far 0 98 0 - 8.3-11.1 HB3 LEU 38 - HA LEU 6 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (1.52, 5.35, 53.00 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 6 + HA LEU 6 OK 100 100 100 100 3.6-3.7 3.6=100 HB2 LEU 6 + HA LEU 6 OK 87 87 100 100 2.6-2.7 3.0=100 HB3 ARG 30 - HA LEU 6 far 0 98 0 - 7.4-9.1 QB ALA 124 - HA LEU 6 far 0 73 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 2449 from cnoeabs.peaks (0.73, 5.35, 53.00 ppm; 3.62 A): 1 out of 11 assignments used, quality = 1.00: * QD2 LEU 6 + HA LEU 6 OK 100 100 100 100 1.9-2.7 2473=94, 2.1/2480=66...(17) QD2 LEU 55 - HA LEU 6 far 15 100 15 - 3.9-6.6 QG2 VAL 78 - HA LEU 6 far 9 92 10 - 4.9-6.0 QG2 ILE 7 - HA LEU 6 far 0 94 0 - 5.4-5.5 QG1 VAL 117 - HA LEU 6 far 0 81 0 - 5.5-6.7 QG2 ILE 54 - HA LEU 6 far 0 90 0 - 6.4-7.8 QG2 ILE 18 - HA LEU 6 far 0 70 0 - 6.6-7.3 QD1 LEU 45 - HA LEU 6 far 0 61 0 - 8.3-9.6 QD1 LEU 63 - HA LEU 6 far 0 98 0 - 8.7-9.7 HG13 ILE 18 - HA LEU 6 far 0 98 0 - 8.8-10.9 QD2 LEU 45 - HA LEU 6 far 0 92 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (0.71, 5.35, 53.00 ppm; 3.62 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 6 + HA LEU 6 OK 100 100 100 100 1.8-2.8 2480=94, 2482/3.0=70...(15) QG2 VAL 78 - HA LEU 6 far 9 92 10 - 4.9-6.0 QD1 ILE 57 - HA LEU 6 far 0 96 0 - 5.2-7.5 QG1 VAL 117 - HA LEU 6 far 0 98 0 - 5.5-6.7 QD2 LEU 81 - HA LEU 6 far 0 94 0 - 6.2-6.9 QG2 ILE 18 - HA LEU 6 far 0 100 0 - 6.6-7.3 HG13 ILE 18 - HA LEU 6 far 0 81 0 - 8.8-10.9 QD2 LEU 63 - HA LEU 6 far 0 98 0 - 8.9-10.4 QD2 LEU 45 - HA LEU 6 far 0 92 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB3 LEU 6 + HB2 LEU 6 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 80 - HB2 LEU 6 far 0 70 0 - 5.5-7.5 HG12 ILE 7 - HB2 LEU 6 far 0 100 0 - 6.3-7.9 HG LEU 4 - HB2 LEU 6 far 0 97 0 - 6.8-8.0 HG12 ILE 57 - HB2 LEU 6 far 0 100 0 - 8.1-10.3 HB3 LEU 38 - HB2 LEU 6 far 0 100 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. 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): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.0-2.4 3.1=100 QG2 VAL 78 + HB2 LEU 6 OK 66 92 100 72 3.6-4.5 ~11567=27, 2.1/11566=25...(10) QD2 LEU 55 - HB2 LEU 6 far 0 100 0 - 5.8-8.7 QG1 VAL 117 - HB2 LEU 6 far 0 81 0 - 6.8-7.8 QG2 ILE 7 - HB2 LEU 6 far 0 94 0 - 6.9-7.1 QG2 ILE 54 - HB2 LEU 6 far 0 90 0 - 7.2-8.8 QD1 LEU 45 - HB2 LEU 6 far 0 61 0 - 7.7-9.4 QG2 ILE 18 - HB2 LEU 6 far 0 70 0 - 8.6-9.1 QD2 LEU 45 - HB2 LEU 6 far 0 92 0 - 9.0-10.5 QD1 LEU 63 - HB2 LEU 6 far 0 98 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (0.71, 1.51, 44.53 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 VAL 78 + HB2 LEU 6 OK 67 92 100 73 3.6-4.5 ~11567=27, 2.1/11566=25...(9) QG1 VAL 117 - HB2 LEU 6 far 0 98 0 - 6.8-7.8 QD1 ILE 57 - HB2 LEU 6 far 0 96 0 - 7.3-9.7 QD2 LEU 81 - HB2 LEU 6 far 0 94 0 - 7.4-8.2 QG2 ILE 18 - HB2 LEU 6 far 0 100 0 - 8.6-9.1 QD2 LEU 45 - HB2 LEU 6 far 0 92 0 - 9.0-10.5 QD2 LEU 63 - HB2 LEU 6 far 0 98 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.0 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (1.51, 1.46, 44.53 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 6 + HB3 LEU 6 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 6 + HB3 LEU 6 OK 87 87 100 100 2.3-2.4 3.0=100 QB ALA 124 - HB3 LEU 6 far 0 99 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LEU 6 + HB3 LEU 6 OK 87 87 100 100 1.8-1.8 1.8=100 QB ALA 124 - HB3 LEU 6 far 0 73 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 2463 from cnoeabs.peaks (0.73, 1.46, 44.53 ppm; 3.47 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 6 + HB3 LEU 6 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 VAL 78 - HB3 LEU 6 far 0 92 0 - 5.0-5.9 QG2 ILE 7 - HB3 LEU 6 far 0 94 0 - 5.9-6.3 QD2 LEU 55 - HB3 LEU 6 far 0 100 0 - 6.2-8.9 QG1 VAL 117 - HB3 LEU 6 far 0 81 0 - 6.4-7.4 QG2 ILE 18 - HB3 LEU 6 far 0 70 0 - 8.3-8.7 QG2 ILE 54 - HB3 LEU 6 far 0 90 0 - 8.3-9.9 QD1 LEU 45 - HB3 LEU 6 far 0 61 0 - 9.2-10.7 QD1 LEU 63 - HB3 LEU 6 far 0 98 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (0.71, 1.46, 44.53 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.3-2.7 3.1=100 QG2 VAL 78 - HB3 LEU 6 far 0 92 0 - 5.0-5.9 QG1 VAL 117 - HB3 LEU 6 far 0 98 0 - 6.4-7.4 QD2 LEU 81 - HB3 LEU 6 far 0 94 0 - 6.6-7.3 QD1 ILE 57 - HB3 LEU 6 far 0 96 0 - 7.7-9.6 QG2 ILE 18 - HB3 LEU 6 far 0 100 0 - 8.3-8.7 QD2 LEU 63 - HB3 LEU 6 far 0 98 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (9.23, 1.52, 27.91 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HG LEU 6 OK 100 100 100 100 4.7-4.9 5.1=94, 1045/2468=92...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.7 3.6=100 Violated in 0 structures by 0.00 A. 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): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 6 + HG LEU 6 OK 99 100 100 99 2.3-2.4 3.0=81, 2482/2.1=58...(16) HG LEU 80 - HG LEU 6 far 0 70 0 - 4.8-7.1 HG12 ILE 7 - HG LEU 6 far 0 100 0 - 7.2-8.8 HB3 LEU 38 - HG LEU 6 far 0 100 0 - 8.1-9.2 HG12 ILE 57 - HG LEU 6 far 0 100 0 - 8.2-10.1 HG LEU 4 - HG LEU 6 far 0 97 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * QD2 LEU 6 + HG LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 78 - HG LEU 6 far 0 92 0 - 5.3-6.1 QG2 ILE 7 - HG LEU 6 far 0 94 0 - 6.8-7.2 QD2 LEU 55 - HG LEU 6 far 0 100 0 - 6.9-9.6 QD1 LEU 63 - HG LEU 6 far 0 98 0 - 7.8-8.8 QG2 ILE 54 - HG LEU 6 far 0 90 0 - 7.9-9.9 QG1 VAL 117 - HG LEU 6 far 0 81 0 - 8.0-9.1 QD1 LEU 45 - HG LEU 6 far 0 61 0 - 8.8-9.9 QG2 ILE 18 - HG LEU 6 far 0 70 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2471 from cnoeabs.peaks (0.71, 1.52, 27.91 ppm; 3.06 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 6 + HG LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 78 - HG LEU 6 far 0 92 0 - 5.3-6.1 QD2 LEU 63 - HG LEU 6 far 0 98 0 - 7.6-8.8 QD2 LEU 81 - HG LEU 6 far 0 94 0 - 7.9-8.7 QD1 ILE 57 - HG LEU 6 far 0 96 0 - 8.0-9.8 QG1 VAL 117 - HG LEU 6 far 0 98 0 - 8.0-9.1 QG2 ILE 18 - HG LEU 6 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (5.35, 0.73, 25.37 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 6 + QD2 LEU 6 OK 100 100 100 100 1.9-2.7 2449=100, 2450/2.1=70...(17) HA LEU 6 - QD1 LEU 63 far 0 84 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (1.51, 0.73, 25.37 ppm; 2.87 A): 2 out of 14 assignments used, quality = 0.99: * HB2 LEU 6 + QD2 LEU 6 OK 96 100 100 96 2.0-2.4 3.1=77, 3.0/2449=34...(12) HG LEU 6 + QD2 LEU 6 OK 87 87 100 100 2.1-2.1 2.1=100 HG LEU 38 - QD1 LEU 63 far 0 64 0 - 4.8-6.8 HB3 ARG 30 - QD2 LEU 6 far 0 98 0 - 6.1-7.6 HG LEU 38 - QD2 LEU 6 far 0 84 0 - 6.2-7.2 HG2 ARG 30 - QD2 LEU 6 far 0 90 0 - 7.3-8.9 HB2 LYS 61 - QD1 LEU 63 far 0 74 0 - 7.4-8.4 HB3 ARG 30 - QD1 LEU 63 far 0 79 0 - 7.8-10.3 HG LEU 6 - QD1 LEU 63 far 0 67 0 - 7.8-8.8 QB ALA 124 - QD2 LEU 6 far 0 99 0 - 8.3-9.1 HB2 LYS 61 - QD2 LEU 6 far 0 94 0 - 8.6-10.5 HG2 ARG 30 - QD1 LEU 63 far 0 69 0 - 9.0-11.3 HG2 LYS 43 - QD2 LEU 6 far 0 99 0 - 9.1-10.7 HB2 LEU 6 - QD1 LEU 63 far 0 84 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.46, 0.73, 25.37 ppm; 2.85 A): 2 out of 13 assignments used, quality = 0.99: * HB3 LEU 6 + QD2 LEU 6 OK 97 100 100 97 3.1-3.2 3.1=76, 2468/2.1=61...(9) HB3 LEU 38 + QD1 LEU 63 OK 63 83 90 85 3.0-4.8 3.8/10986=21, ~9684=21...(19) HG LEU 4 - QD2 LEU 6 far 0 97 0 - 5.2-7.2 HG12 ILE 57 - QD2 LEU 6 far 0 100 0 - 5.6-7.5 HB3 LEU 38 - QD2 LEU 6 far 0 100 0 - 5.8-6.7 HG LEU 80 - QD2 LEU 6 far 0 70 0 - 5.9-7.8 HG2 LYS 39 - QD1 LEU 63 far 0 84 0 - 6.2-10.3 HG12 ILE 7 - QD2 LEU 6 far 0 100 0 - 6.7-7.6 HG12 ILE 57 - QD1 LEU 63 far 0 83 0 - 7.4-9.5 HG3 ARG 30 - QD2 LEU 6 far 0 98 0 - 7.6-9.6 HB2 LEU 74 - QD2 LEU 6 far 0 96 0 - 7.8-10.5 HG3 ARG 30 - QD1 LEU 63 far 0 79 0 - 8.3-11.5 HB3 LEU 6 - QD1 LEU 63 far 0 84 0 - 9.4-10.4 Violated in 19 structures by 0.16 A. Peak 2476 from cnoeabs.peaks (1.52, 0.73, 25.37 ppm; 2.87 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 6 + QD2 LEU 6 OK 83 87 100 96 2.0-2.4 3.1=77, 3.0/2449=34...(12) HG LEU 38 - QD1 LEU 63 far 0 84 0 - 4.8-6.8 HB3 ARG 30 - QD2 LEU 6 far 0 98 0 - 6.1-7.6 HG LEU 38 - QD2 LEU 6 far 0 100 0 - 6.2-7.2 HB2 LYS 61 - QD1 LEU 63 far 0 83 0 - 7.4-8.4 HB3 ARG 30 - QD1 LEU 63 far 0 79 0 - 7.8-10.3 HG LEU 6 - QD1 LEU 63 far 0 84 0 - 7.8-8.8 QB ALA 124 - QD2 LEU 6 far 0 73 0 - 8.3-9.1 HB2 LYS 61 - QD2 LEU 6 far 0 100 0 - 8.6-10.5 HG2 LYS 43 - QD2 LEU 6 far 0 97 0 - 9.1-10.7 HB2 LEU 6 - QD1 LEU 63 far 0 67 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. 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): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 63 + QD1 LEU 63 OK 79 79 100 100 1.9-2.1 2.1=100 QG2 VAL 78 + QD2 LEU 6 OK 34 92 75 49 3.3-4.4 ~11567=14, 2.1/5417=13...(9) QD1 ILE 57 - QD2 LEU 6 far 0 96 0 - 5.2-7.6 QD2 LEU 63 - QD2 LEU 6 far 0 98 0 - 5.6-7.1 QD1 LEU 6 - QD1 LEU 63 far 0 84 0 - 5.6-6.7 QG1 VAL 117 - QD2 LEU 6 far 0 98 0 - 6.7-7.5 QD1 ILE 57 - QD1 LEU 63 far 0 76 0 - 6.7-8.4 QD2 LEU 45 - QD2 LEU 6 far 0 92 0 - 6.9-8.3 QD2 LEU 81 - QD2 LEU 6 far 0 94 0 - 6.9-7.8 QG2 ILE 18 - QD2 LEU 6 far 0 100 0 - 7.1-8.3 HG13 ILE 18 - QD2 LEU 6 far 0 81 0 - 9.4-11.8 QG2 ILE 18 - QD1 LEU 63 far 0 83 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 2480 from cnoeabs.peaks (5.35, 0.71, 25.51 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + QD1 LEU 6 OK 100 100 100 100 1.8-2.8 2450=100, 3.0/2482=72...(15) Violated in 0 structures by 0.00 A. Peak 2481 from cnoeabs.peaks (1.51, 0.71, 25.51 ppm; 2.80 A): 2 out of 8 assignments used, quality = 0.99: * HB2 LEU 6 + QD1 LEU 6 OK 95 100 100 95 3.1-3.2 3.1=71, 3.0/2450=32...(12) HG LEU 6 + QD1 LEU 6 OK 87 87 100 100 2.1-2.1 2.1=100 HB3 ARG 30 - QD1 LEU 6 far 0 98 0 - 6.7-8.8 HB2 LYS 61 - QD1 LEU 6 far 0 94 0 - 7.1-9.0 HG LEU 38 - QD1 LEU 6 far 0 84 0 - 7.1-8.9 HG2 ARG 30 - QD1 LEU 6 far 0 90 0 - 7.9-10.7 HB3 LEU 14 - QD1 LEU 6 far 0 92 0 - 8.3-10.6 QB ALA 124 - QD1 LEU 6 far 0 99 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (1.46, 0.71, 25.51 ppm; 2.79 A): 1 out of 8 assignments used, quality = 0.97: * HB3 LEU 6 + QD1 LEU 6 OK 97 100 100 97 2.3-2.7 3.1=71, 2468/2.1=59...(10) HG LEU 80 - QD1 LEU 6 poor 14 70 20 - 4.2-6.2 HG12 ILE 57 - QD1 LEU 6 far 0 100 0 - 4.8-7.1 HG12 ILE 7 - QD1 LEU 6 far 0 100 0 - 4.9-5.8 HB3 LEU 38 - QD1 LEU 6 far 0 100 0 - 6.3-7.9 HG LEU 4 - QD1 LEU 6 far 0 97 0 - 7.2-9.3 HG3 ARG 30 - QD1 LEU 6 far 0 98 0 - 7.7-10.5 HG2 LYS 106 - QD1 LEU 6 far 0 100 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (1.52, 0.71, 25.51 ppm; 2.80 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 6 + QD1 LEU 6 OK 82 87 100 95 3.1-3.2 3.1=71, 3.0/2450=32...(11) HB3 ARG 30 - QD1 LEU 6 far 0 98 0 - 6.7-8.8 HB2 LYS 61 - QD1 LEU 6 far 0 100 0 - 7.1-9.0 HG LEU 38 - QD1 LEU 6 far 0 100 0 - 7.1-8.9 QB ALA 124 - QD1 LEU 6 far 0 73 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 2484 from cnoeabs.peaks (0.73, 0.71, 25.51 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * QD2 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 7 - QD1 LEU 6 far 0 94 0 - 4.3-4.7 QD2 LEU 55 - QD1 LEU 6 far 0 100 0 - 4.5-6.7 QG2 VAL 78 - QD1 LEU 6 far 0 92 0 - 5.3-6.2 QD1 LEU 63 - QD1 LEU 6 far 0 98 0 - 5.6-6.7 QG1 VAL 117 - QD1 LEU 6 far 0 81 0 - 5.8-6.8 QG2 ILE 54 - QD1 LEU 6 far 0 90 0 - 6.0-7.8 QG2 ILE 18 - QD1 LEU 6 far 0 70 0 - 6.2-7.1 QD1 LEU 45 - QD1 LEU 6 far 0 61 0 - 7.6-9.4 HG13 ILE 18 - QD1 LEU 6 far 0 98 0 - 8.3-9.9 QD2 LEU 45 - QD1 LEU 6 far 0 92 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB ILE 7 + HA ILE 7 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 67 - HA ILE 7 far 0 87 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 2489 from cnoeabs.peaks (0.74, 5.18, 58.22 ppm; 3.47 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 7 + HA ILE 7 OK 100 100 100 100 2.2-2.5 3.2=100 QD2 LEU 6 - HA ILE 7 far 0 94 0 - 5.0-5.9 QD2 LEU 55 - HA ILE 7 far 0 96 0 - 5.7-7.7 QG1 VAL 107 - HA ILE 7 far 0 61 0 - 6.5-8.0 HG13 ILE 18 - HA ILE 7 far 0 77 0 - 6.7-7.9 QG2 VAL 78 - HA ILE 7 far 0 61 0 - 8.0-9.0 QD2 LEU 14 - HA ILE 7 far 0 61 0 - 8.4-9.3 QD1 LEU 63 - HA ILE 7 far 0 100 0 - 9.4-10.6 QG2 ILE 54 - HA ILE 7 far 0 100 0 - 9.6-11.1 QG2 VAL 32 - HA ILE 7 far 0 61 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 2490 from cnoeabs.peaks (1.46, 5.18, 58.22 ppm; 4.69 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 7 + HA ILE 7 OK 100 100 100 100 2.2-3.8 3.8=100 HB3 LEU 6 + HA ILE 7 OK 100 100 100 100 4.2-4.6 ~23=44, ~7321=42, ~28=41...(20) HG LEU 80 + HA ILE 7 OK 39 65 70 84 3.7-6.7 2.1/11625=71...(6) HG12 ILE 57 - HA ILE 7 far 5 100 5 - 5.9-8.8 HG2 LYS 106 - HA ILE 7 far 0 100 0 - 8.8-12.9 Violated in 0 structures by 0.00 A. Peak 2491 from cnoeabs.peaks (1.25, 5.18, 58.22 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 7 + HA ILE 7 OK 100 100 100 100 2.2-3.5 3.8=100 HG3 LYS 61 - HA ILE 7 far 0 99 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (0.77, 5.18, 58.22 ppm; 3.47 A): 3 out of 9 assignments used, quality = 1.00: * QD1 ILE 7 + HA ILE 7 OK 99 100 100 99 1.9-3.9 2522=65, 1055/3.0=52...(19) QD1 LEU 80 + HA ILE 7 OK 44 96 75 62 3.2-5.5 7715/9951=35, 11625=34...(4) QD2 LEU 80 + HA ILE 7 OK 24 94 45 57 3.2-6.5 2.1/11625=35...(4) QD1 LEU 82 - HA ILE 7 far 4 90 5 - 4.6-7.1 QD2 LEU 64 - HA ILE 7 far 4 73 5 - 4.8-7.5 QG1 VAL 107 - HA ILE 7 far 0 99 0 - 6.5-8.0 QD1 ILE 15 - HA ILE 7 far 0 100 0 - 7.0-9.4 QD2 LEU 14 - HA ILE 7 far 0 99 0 - 8.4-9.3 QG2 VAL 32 - HA ILE 7 far 0 99 0 - 9.7-10.7 Violated in 2 structures by 0.01 A. 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 100 100 100 100 2.5-2.8 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 10 assignments used, quality = 1.00: * QG2 ILE 7 + HB ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 55 + HB ILE 7 OK 38 96 60 66 3.8-5.4 11136/3.0=23, ~11617=19...(10) HG13 ILE 18 - HB ILE 7 far 0 77 0 - 5.0-6.8 QD2 LEU 6 - HB ILE 7 far 0 94 0 - 5.2-6.4 QG1 VAL 107 - HB ILE 7 far 0 61 0 - 7.7-9.0 QD2 LEU 14 - HB ILE 7 far 0 61 0 - 7.8-8.9 QG2 ILE 54 - HB ILE 7 far 0 100 0 - 8.2-9.6 QG2 VAL 32 - HB ILE 7 far 0 61 0 - 8.5-9.5 QG2 VAL 78 - HB ILE 7 far 0 61 0 - 8.7-9.7 QD1 LEU 63 - HB ILE 7 far 0 100 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 2497 from cnoeabs.peaks (1.46, 1.89, 40.15 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 57 + HB ILE 7 OK 52 100 70 74 3.0-6.1 4.2/9080=31, 349/9594=27...(10) HB3 LEU 6 - HB ILE 7 far 0 100 0 - 5.9-6.4 HG LEU 80 - HB ILE 7 far 0 65 0 - 6.6-9.6 HG3 ARG 30 - HB ILE 7 far 0 97 0 - 9.0-12.0 HG LEU 4 - HB ILE 7 far 0 96 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2499 from cnoeabs.peaks (0.77, 1.89, 40.15 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 7 + HB ILE 7 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 15 - HB ILE 7 far 0 100 0 - 5.3-7.7 QD2 LEU 80 - HB ILE 7 far 0 94 0 - 5.7-8.9 QD1 LEU 80 - HB ILE 7 far 0 96 0 - 5.7-7.6 QD2 LEU 64 - HB ILE 7 far 0 73 0 - 6.4-8.9 QD1 LEU 82 - HB ILE 7 far 0 90 0 - 7.1-9.4 QG1 VAL 107 - HB ILE 7 far 0 99 0 - 7.7-9.0 QD2 LEU 14 - HB ILE 7 far 0 99 0 - 7.8-8.9 QG2 VAL 32 - HB ILE 7 far 0 99 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (5.18, 0.74, 16.61 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.2-2.5 3.2=100 HA VAL 78 - QG2 ILE 7 far 0 77 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (1.89, 0.74, 16.61 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 67 - QG2 ILE 7 far 0 87 0 - 6.4-8.1 HB2 LYS 16 - QG2 ILE 7 far 0 87 0 - 8.7-10.5 HB3 LYS 16 - QG2 ILE 7 far 0 90 0 - 9.0-10.6 HB3 LYS 20 - QG2 ILE 7 far 0 100 0 - 9.5-11.8 HB2 LYS 20 - QG2 ILE 7 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.0-2.8 3.2=100 HG12 ILE 57 - QG2 ILE 7 poor 18 100 30 58 4.3-6.5 2497/2.1=23, 349/9088=12...(9) HG LEU 80 - QG2 ILE 7 far 3 65 5 - 5.2-7.8 HB3 LEU 6 - QG2 ILE 7 far 0 100 0 - 5.9-6.3 HG2 LYS 106 - QG2 ILE 7 far 0 100 0 - 8.1-11.3 HG3 ARG 30 - QG2 ILE 7 far 0 97 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 2505 from cnoeabs.peaks (1.25, 0.74, 16.61 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.0-3.2 3.2=100 HG3 LYS 61 - QG2 ILE 7 far 0 99 0 - 8.6-12.1 QG2 THR 108 - QG2 ILE 7 far 0 99 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 2507 from cnoeabs.peaks (8.93, 1.46, 27.10 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + HG12 ILE 7 OK 100 100 100 100 3.7-4.8 1055/2.1=92, 1054/1.8=90...(12) Violated in 0 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (5.18, 1.46, 27.10 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.2-3.8 3.8=100 HA VAL 78 - HG12 ILE 7 far 0 77 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (1.89, 1.46, 27.10 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.4-3.0 3.0=100 QE MET 67 - HG12 ILE 7 far 0 87 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (0.74, 1.46, 27.10 ppm; 2.97 A): 2 out of 9 assignments used, quality = 0.99: * QG2 ILE 7 + HG12 ILE 7 OK 99 100 100 99 2.0-2.8 3.2=81, 2524/2.1=53...(12) QD2 LEU 55 + HG12 ILE 7 OK 28 96 40 73 3.1-6.4 11136=26, 2524/2.1=22...(8) HG13 ILE 18 - HG12 ILE 7 poor 15 77 20 - 3.5-5.7 QG1 VAL 107 - HG12 ILE 7 far 0 61 0 - 6.5-8.8 QD2 LEU 6 - HG12 ILE 7 far 0 94 0 - 6.7-7.6 QD2 LEU 14 - HG12 ILE 7 far 0 61 0 - 7.9-9.3 QG2 VAL 78 - HG12 ILE 7 far 0 61 0 - 8.3-10.0 QG2 ILE 54 - HG12 ILE 7 far 0 100 0 - 8.3-10.7 QG2 VAL 32 - HG12 ILE 7 far 0 61 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2513 from cnoeabs.peaks (0.77, 1.46, 27.10 ppm; 2.97 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 80 - HG12 ILE 7 far 0 94 0 - 5.2-9.4 QD1 LEU 80 - HG12 ILE 7 far 0 96 0 - 5.3-8.0 QG1 VAL 107 - HG12 ILE 7 far 0 99 0 - 6.5-8.8 QD1 ILE 15 - HG12 ILE 7 far 0 100 0 - 6.9-9.9 QD1 LEU 82 - HG12 ILE 7 far 0 90 0 - 7.0-9.9 QD2 LEU 64 - HG12 ILE 7 far 0 73 0 - 7.1-10.3 QD2 LEU 14 - HG12 ILE 7 far 0 99 0 - 7.9-9.3 QG2 VAL 32 - HG12 ILE 7 far 0 99 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 2514 from cnoeabs.peaks (8.93, 1.25, 27.10 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.6-4.5 1054=100, 1055/2.1=91...(8) Violated in 0 structures by 0.00 A. Peak 2515 from cnoeabs.peaks (5.18, 1.25, 27.10 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.2-3.5 3.8=100 HA VAL 78 - HG13 ILE 7 far 0 77 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (1.89, 1.25, 27.10 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.4-3.0 3.0=100 QE MET 67 - HG13 ILE 7 far 0 87 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (0.74, 1.25, 27.10 ppm; 3.03 A): 2 out of 9 assignments used, quality = 0.99: * QG2 ILE 7 + HG13 ILE 7 OK 99 100 100 99 2.0-3.2 3.2=86, 2510/1.8=54...(11) QD2 LEU 55 + HG13 ILE 7 OK 25 96 35 73 3.0-5.9 11136/1.8=26...(9) HG13 ILE 18 - HG13 ILE 7 far 8 77 10 - 3.3-7.3 QD2 LEU 6 - HG13 ILE 7 far 0 94 0 - 5.2-7.7 QG1 VAL 107 - HG13 ILE 7 far 0 61 0 - 6.5-9.7 QG2 VAL 78 - HG13 ILE 7 far 0 61 0 - 7.1-9.5 QG2 ILE 54 - HG13 ILE 7 far 0 100 0 - 7.5-10.6 QD2 LEU 14 - HG13 ILE 7 far 0 61 0 - 7.8-10.4 QG2 VAL 32 - HG13 ILE 7 far 0 61 0 - 9.1-11.5 Violated in 6 structures by 0.02 A. Peak 2518 from cnoeabs.peaks (1.46, 1.25, 27.10 ppm; 3.02 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 7 + HG13 ILE 7 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 57 - HG13 ILE 7 far 5 100 5 - 3.8-8.7 HB3 LEU 6 - HG13 ILE 7 far 0 100 0 - 4.7-7.2 HG LEU 80 - HG13 ILE 7 far 0 65 0 - 5.4-9.2 HG LEU 4 - HG13 ILE 7 far 0 96 0 - 9.0-12.1 HG3 ARG 30 - HG13 ILE 7 far 0 97 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * QD1 ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 80 - HG13 ILE 7 far 0 96 0 - 4.8-7.7 QD2 LEU 80 - HG13 ILE 7 far 0 94 0 - 4.8-8.9 QD1 LEU 82 - HG13 ILE 7 far 0 90 0 - 5.9-9.5 QD2 LEU 64 - HG13 ILE 7 far 0 73 0 - 6.1-9.3 QG1 VAL 107 - HG13 ILE 7 far 0 99 0 - 6.5-9.7 QD1 ILE 15 - HG13 ILE 7 far 0 100 0 - 7.5-10.0 QD2 LEU 14 - HG13 ILE 7 far 0 99 0 - 7.8-10.4 QG2 VAL 32 - HG13 ILE 7 far 0 99 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.7 4.7=100 Violated in 0 structures by 0.00 A. Peak 2522 from cnoeabs.peaks (5.18, 0.77, 14.16 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 7 + QD1 ILE 7 OK 100 100 100 100 1.9-3.9 4.1=92, 3.0/1055=66...(19) HA VAL 78 - QD1 ILE 7 far 0 77 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2523 from cnoeabs.peaks (1.89, 0.77, 14.16 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-3.2 3.2=100 QE MET 67 - QD1 ILE 7 far 0 87 0 - 5.6-8.3 HB3 LYS 20 - QD1 ILE 7 far 0 100 0 - 9.0-12.2 HB ILE 71 - QD1 ILE 7 far 0 99 0 - 9.5-11.0 HB2 LYS 20 - QD1 ILE 7 far 0 100 0 - 9.7-11.7 HB3 LYS 16 - QD1 ILE 7 far 0 90 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 2524 from cnoeabs.peaks (0.74, 0.77, 14.16 ppm; 2.40 A): 2 out of 12 assignments used, quality = 0.93: * QG2 ILE 7 + QD1 ILE 7 OK 89 100 100 89 2.1-3.2 3.3=40, 2510/2.1=31...(12) QD2 LEU 55 + QD1 ILE 7 OK 38 96 85 46 2.2-4.6 2.1/11617=17...(7) HG13 ILE 18 - QD1 ILE 7 poor 15 77 20 - 3.4-5.3 QD2 LEU 6 - QD1 ILE 7 far 0 94 0 - 4.4-5.8 QG2 ILE 54 - QD1 ILE 7 far 0 100 0 - 6.1-8.3 QG1 VAL 107 - QD1 ILE 7 far 0 61 0 - 6.1-7.7 QG2 VAL 78 - QD1 ILE 7 far 0 61 0 - 6.1-7.5 QD2 LEU 14 - QD1 ILE 7 far 0 61 0 - 7.0-8.6 QG2 VAL 32 - QD1 ILE 7 far 0 61 0 - 7.6-9.5 QD1 LEU 63 - QD1 ILE 7 far 0 100 0 - 8.6-10.1 QD1 LEU 45 - QD1 ILE 7 far 0 92 0 - 8.7-10.6 QD2 LEU 45 - QD1 ILE 7 far 0 61 0 - 9.4-11.5 Violated in 10 structures by 0.05 A. Peak 2525 from cnoeabs.peaks (1.46, 0.77, 14.16 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 6 + QD1 ILE 7 OK 38 100 50 77 4.4-6.0 4.6/1055=26, 10954=24...(12) HG12 ILE 57 - QD1 ILE 7 poor 18 100 50 36 3.7-7.1 2497/3.2=13...(7) HG LEU 80 - QD1 ILE 7 far 0 65 0 - 4.9-8.9 HG LEU 4 - QD1 ILE 7 far 0 96 0 - 7.0-9.9 HG3 ARG 30 - QD1 ILE 7 far 0 97 0 - 7.2-10.8 HG3 LYS 20 - QD1 ILE 7 far 0 70 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 2526 from cnoeabs.peaks (1.25, 0.77, 14.16 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 53 - QD1 ILE 7 far 0 77 0 - 8.6-13.2 HG12 ILE 54 - QD1 ILE 7 far 0 99 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 ASN 8 + HA ASN 8 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 ASN 10 - HA ASN 8 far 0 77 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2532 from cnoeabs.peaks (7.37, 5.90, 51.10 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 8 + HA ASN 8 OK 100 100 100 100 2.0-3.8 823=100, 1.7/829=74...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.3 4.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2538 from cnoeabs.peaks (7.37, 2.89, 42.58 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 8 + HB2 ASN 8 OK 100 100 100 100 2.3-3.6 3.5=100 H TYR 76 - HE3 LYS 2 far 4 75 5 - 6.5-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.5 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2542 from cnoeabs.peaks (2.89, 2.27, 42.58 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 8 + HB3 ASN 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 10 - HB3 ASN 8 far 0 77 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2550 from cnoeabs.peaks (8.04, 4.32, 67.77 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * H THR 9 + HB THR 9 OK 100 100 100 100 3.2-3.9 4.0=100 H ASP 109 - HB THR 9 far 0 96 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2551 from cnoeabs.peaks (4.74, 4.32, 67.77 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 9 + HB THR 9 OK 100 100 100 100 2.3-2.4 3.0=100 HA ASP 109 - HB THR 9 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 1.00: * QG2 THR 9 + HB THR 9 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 14 + HB THR 9 OK 77 99 100 78 3.7-4.9 ~11006=23, ~10756=23...(11) QG2 VAL 117 - HB THR 9 far 0 100 0 - 5.7-6.9 QG2 ILE 15 - HB THR 9 far 0 73 0 - 5.8-6.6 QG2 VAL 107 - HB THR 9 far 0 99 0 - 6.6-8.4 HG13 ILE 57 - HB THR 9 far 0 99 0 - 7.2-10.5 QD2 LEU 90 - HB THR 9 far 0 61 0 - 7.5-8.9 QG2 VAL 22 - HB THR 9 far 0 94 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 2554 from cnoeabs.peaks (8.04, 0.86, 19.21 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * H THR 9 + QG2 THR 9 OK 100 100 100 100 1.9-2.4 3.9=100 H ARG 118 - QG2 THR 9 far 0 65 0 - 8.9-11.0 H VAL 22 - QG2 THR 9 far 0 97 0 - 9.0-10.2 H ASP 109 - QG2 THR 9 far 0 96 0 - 9.7-11.2 H LYS 65 - QG2 THR 9 far 0 98 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (4.74, 0.86, 19.21 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 9 + QG2 THR 9 OK 100 100 100 100 2.7-3.2 3.2=100 HA ARG 30 - QG2 THR 9 far 0 100 0 - 9.6-11.0 HA ASP 109 - QG2 THR 9 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H ASN 10 + HA ASN 10 OK 100 100 100 100 2.9-2.9 3.0=100 H GLN 83 - HA ASN 10 far 0 100 0 - 6.7-8.4 H GLN 62 - HA ASN 10 far 0 98 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ASN 10 + HA ASN 10 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 8 - HA ASN 10 far 0 77 0 - 7.4-8.2 HE2 LYS 16 - HA ASN 10 far 0 99 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.5 4.4=100 Violated in 1 structures by 0.00 A. Peak 2564 from cnoeabs.peaks (8.44, 2.91, 39.32 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 10 + HB2 ASN 10 OK 100 100 100 100 2.3-2.7 4.0=100 H GLN 83 - HB2 ASN 10 far 15 100 15 - 5.6-7.5 H GLN 62 - HB2 ASN 10 far 0 98 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2568 from cnoeabs.peaks (7.64, 2.91, 39.32 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 10 + HB2 ASN 10 OK 100 100 100 100 2.3-3.7 3.5=100 HE21 GLN 85 - HB2 ASN 10 far 3 70 5 - 5.6-13.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (8.44, 2.82, 39.32 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 10 + HB3 ASN 10 OK 100 100 100 100 2.5-3.7 4.0=100 H GLN 83 - HB3 ASN 10 far 15 100 15 - 6.0-8.7 H GLN 62 - HB3 ASN 10 far 0 98 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2572 from cnoeabs.peaks (2.91, 2.82, 39.32 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 10 + HB3 ASN 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 8 - HB3 ASN 10 far 0 77 0 - 7.2-9.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD21 ASN 10 + HB3 ASN 10 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 85 - HB3 ASN 10 far 0 70 0 - 6.4-14.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (4.69, 3.03, 38.35 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 11 + HB2 ASN 11 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASN 59 - HB2 ASN 11 far 0 65 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 ASN 11 + HB2 ASN 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 109 - HB2 ASN 11 far 0 77 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 HD22 ASN 11 + HB2 ASN 11 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.5 4.1=100 Violated in 0 structures by 0.00 A. Peak 2589 from cnoeabs.peaks (4.69, 2.74, 38.35 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 11 + HB3 ASN 11 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASN 59 - HB3 ASN 11 far 0 65 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.5 3.5=100 HD22 ASN 11 + HB3 ASN 11 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 * HB2 ASP 12 + HA ASP 12 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 HB2 ASP 12 + HA ASP 12 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2598 from cnoeabs.peaks (8.59, 2.64, 41.16 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 12 + HB2 ASP 12 OK 93 100 100 93 2.3-3.6 4.0=76, 1080/1.8=45...(5) H ASP 12 + HB3 ASP 12 OK 93 100 100 93 2.9-3.6 4.0=76, 1080/1.8=45...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 * HA ASP 12 + HB2 ASP 12 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: H ASP 12 + HB2 ASP 12 OK 93 100 100 93 2.3-3.6 4.0=76, 1080/1.8=45...(5) * H ASP 12 + HB3 ASP 12 OK 93 100 100 93 2.9-3.6 4.0=76, 1080/1.8=45...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 HA ASP 12 + HB2 ASP 12 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 10 assignments used, quality = 1.00: * HB2 GLU 13 + HA GLU 13 OK 99 100 100 99 2.3-2.7 3.0=75, 1.8/2609=57...(22) HB2 GLU 92 + HA GLU 92 OK 51 52 100 99 2.3-3.0 3.0=75, 581/3.6=28...(37) HB3 GLU 91 + HA GLU 92 OK 23 62 50 74 3.9-4.6 7765/3.0=32, ~7764=17...(11) HB2 LYS 94 - HA GLU 92 far 0 61 0 - 5.0-6.8 HB3 MET 67 - HA GLU 66 far 0 70 0 - 5.6-6.6 HB3 GLU 98 - HA GLU 92 far 0 52 0 - 7.4-9.4 HB3 MET 121 - HA LYS 123 far 0 55 0 - 7.6-8.6 HG2 GLU 119 - HA LYS 123 far 0 58 0 - 8.2-9.3 HB3 GLN 100 - HA GLU 66 far 0 67 0 - 8.8-10.8 HB3 PHE 79 - HA LYS 123 far 0 60 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (2.16, 4.03, 59.01 ppm; 2.96 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 13 + HA GLU 13 OK 100 100 100 100 3.0-3.0 3.0=96, 1085/3.0=44...(25) HB2 GLN 62 - HA GLU 66 far 0 91 0 - 6.3-7.7 HB3 GLN 62 - HA GLU 66 far 0 91 0 - 6.7-8.6 HB2 GLU 98 - HA GLU 92 far 0 32 0 - 8.5-10.1 Violated in 20 structures by 0.03 A. Peak 2610 from cnoeabs.peaks (2.36, 4.03, 59.01 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 13 + HA GLU 13 OK 100 100 100 100 2.1-3.6 2625=100, 2627/2609=65...(18) HB3 PHE 120 - HA LYS 123 far 0 41 0 - 7.2-7.9 HG3 GLN 100 - HA GLU 66 far 0 85 0 - 7.7-10.2 HG2 GLU 98 - HA GLU 92 far 0 40 0 - 8.4-12.0 Violated in 2 structures by 0.01 A. Peak 2611 from cnoeabs.peaks (2.31, 4.03, 59.01 ppm; 3.20 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 13 + HA GLU 13 OK 100 100 100 100 2.3-3.8 1.8/2625=65...(15) HG2 GLU 92 + HA GLU 92 OK 60 61 100 100 2.1-3.9 5868/3.0=59, 4.0=52...(25) HG3 GLU 89 - HA GLU 92 far 0 64 0 - 7.9-9.3 HG3 GLU 87 - HA GLU 92 far 0 43 0 - 8.4-11.9 HG2 GLU 87 - HA GLU 92 far 0 43 0 - 8.8-12.2 HG3 GLU 103 - HA LYS 123 far 0 55 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 2612 from cnoeabs.peaks (8.29, 2.06, 28.71 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + HB2 GLU 13 OK 100 100 100 100 3.5-3.6 1084=100, 1085/1.8=80...(13) Violated in 20 structures by 0.08 A. Peak 2613 from cnoeabs.peaks (4.03, 2.06, 28.71 ppm; 2.90 A): 3 out of 5 assignments used, quality = 1.00: * HA GLU 13 + HB2 GLU 13 OK 100 100 100 100 2.3-2.7 3.0=91, 2609/1.8=65...(24) HA GLU 92 + HB2 GLU 92 OK 50 50 100 100 2.3-3.0 3.0=91, 3.6/581=31...(45) HA GLU 92 + HB3 GLU 91 OK 37 59 85 74 3.9-4.6 3.0/576=21, ~7764=20...(11) HA GLU 87 - HB3 GLU 91 far 0 54 0 - 6.2-7.3 HA GLU 87 - HB2 GLU 92 far 0 46 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 2614 from cnoeabs.peaks (2.06, 2.06, 28.71 ppm; diagonal): 3 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 2 assignments used, quality = 1.00: * HB3 GLU 13 + HB2 GLU 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 98 - HB3 GLU 91 far 0 32 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 2616 from cnoeabs.peaks (2.36, 2.06, 28.71 ppm; 2.75 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 13 + HB2 GLU 13 OK 100 100 100 100 2.3-3.0 2626=100, 2627/1.8=64...(21) HG2 GLU 98 - HB3 GLU 91 far 0 39 0 - 7.6-12.1 HG2 GLU 98 - HB2 GLU 92 far 0 33 0 - 9.8-13.5 Violated in 6 structures by 0.06 A. Peak 2617 from cnoeabs.peaks (2.31, 2.06, 28.71 ppm; 2.72 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 13 + HB2 GLU 13 OK 100 100 100 100 2.6-3.0 3.0=76, 2633/1.8=70...(17) HG2 GLU 92 + HB2 GLU 92 OK 50 50 100 99 2.3-3.0 3.0=75, 5868/1.8=69...(32) HG2 GLU 92 - HB3 GLU 91 far 0 59 0 - 4.9-6.5 HG3 GLU 89 - HB2 GLU 92 far 0 53 0 - 5.1-8.5 HG3 GLU 87 - HB3 GLU 91 far 0 41 0 - 5.3-9.0 HG2 GLU 87 - HB3 GLU 91 far 0 41 0 - 6.0-9.9 HG3 GLU 87 - HB2 GLU 92 far 0 35 0 - 7.8-12.8 HG2 GLU 87 - HB2 GLU 92 far 0 35 0 - 8.0-12.9 HG3 GLU 89 - HB3 GLU 91 far 0 63 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 2618 from cnoeabs.peaks (8.29, 2.16, 28.71 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + HB3 GLU 13 OK 100 100 100 100 2.2-2.8 1085=100, 1084/1.8=75...(16) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (8.29, 2.36, 36.01 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + HG2 GLU 13 OK 100 100 100 100 2.1-3.8 1086=99, 1087/1.8=80...(15) Violated in 1 structures by 0.00 A. Peak 2625 from cnoeabs.peaks (4.03, 2.36, 36.01 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 13 + HG2 GLU 13 OK 100 100 100 100 2.1-3.6 2610=94, 2609/2627=63...(18) Violated in 2 structures by 0.02 A. Peak 2626 from cnoeabs.peaks (2.06, 2.36, 36.01 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 13 + HG2 GLU 13 OK 100 100 100 100 2.3-3.0 2616=100, 1.8/2627=64...(21) Violated in 6 structures by 0.06 A. Peak 2627 from cnoeabs.peaks (2.16, 2.36, 36.01 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 13 + HG2 GLU 13 OK 100 100 100 100 2.3-3.0 3.0=79, 2633/1.8=72...(21) Violated in 12 structures by 0.11 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2630 from cnoeabs.peaks (8.29, 2.31, 36.01 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + HG3 GLU 13 OK 100 100 100 100 2.2-3.5 1087=100, 2624/1.8=78...(13) Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (4.03, 2.31, 36.01 ppm; 3.04 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 13 + HG3 GLU 13 OK 100 100 100 100 2.3-3.8 2625/1.8=59...(15) HA GLU 92 + HG2 GLU 92 OK 91 92 100 99 2.1-3.9 3.0/5868=50, 4.0=44...(25) HA GLU 87 - HG3 GLU 89 far 0 94 0 - 4.8-7.3 HA PHE 120 - HG3 GLU 103 far 0 42 0 - 6.2-10.3 HA3 GLY 101 - HG3 GLU 103 far 0 24 0 - 7.5-10.1 HA GLU 92 - HG3 GLU 89 far 0 98 0 - 7.9-9.3 HA GLU 87 - HG2 GLU 92 far 0 87 0 - 8.0-9.8 HA LYS 40 - HG3 GLU 48 far 0 85 0 - 8.7-11.9 HA GLU 119 - HG3 GLU 103 far 0 43 0 - 9.7-13.5 HA LYS 123 - HG3 GLU 103 far 0 43 0 - 9.7-12.7 Violated in 4 structures by 0.01 A. Peak 2632 from cnoeabs.peaks (2.06, 2.31, 36.01 ppm; 2.40 A): 2 out of 13 assignments used, quality = 0.99: * HB2 GLU 13 + HG3 GLU 13 OK 98 100 100 98 2.6-3.0 1.8/2633=56, 3.0=52...(16) HB2 GLU 92 + HG2 GLU 92 OK 79 82 100 96 2.3-3.0 3.0=51, 1.8/5863=46...(19) HB3 PHE 79 - HG3 GLU 103 far 2 34 5 - 3.7-8.7 HB2 GLU 47 - HG3 GLU 48 far 0 79 0 - 4.0-7.6 HB3 GLU 91 - HG2 GLU 92 far 0 93 0 - 4.9-6.5 HB2 GLU 92 - HG3 GLU 89 far 0 89 0 - 5.1-8.5 HB2 LYS 94 - HG2 GLU 92 far 0 92 0 - 6.1-9.4 HB3 GLU 98 - HG3 GLU 103 far 0 34 0 - 6.4-9.9 HB3 GLU 91 - HG3 GLU 89 far 0 99 0 - 8.0-9.7 HB2 LYS 94 - HG3 GLU 89 far 0 98 0 - 8.4-12.9 HB2 LYS 94 - HG3 GLU 103 far 0 40 0 - 9.3-12.3 HB3 GLN 100 - HG3 GLU 103 far 0 26 0 - 9.5-11.7 HB3 GLU 98 - HG2 GLU 92 far 0 82 0 - 9.8-12.8 Violated in 16 structures by 0.10 A. Peak 2633 from cnoeabs.peaks (2.16, 2.31, 36.01 ppm; 2.55 A): 1 out of 3 assignments used, quality = 0.99: * HB3 GLU 13 + HG3 GLU 13 OK 99 100 100 99 2.3-2.7 3.0=62, 2627/1.8=56...(17) HB2 GLU 98 - HG3 GLU 103 far 0 21 0 - 6.1-9.7 HB2 GLN 85 - HG3 GLU 89 far 0 84 0 - 7.0-9.5 Violated in 1 structures by 0.01 A. Peak 2634 from cnoeabs.peaks (2.36, 2.31, 36.01 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 13 + HG3 GLU 13 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 98 - HG3 GLU 103 far 0 26 0 - 4.0-9.8 HB3 PHE 120 - HG3 GLU 103 far 0 22 0 - 6.3-10.6 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (2.31, 2.31, 36.01 ppm; diagonal): 5 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): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HA LEU 14 OK 100 100 100 100 2.7-2.9 3.0=100 H LYS 17 + HA LEU 14 OK 97 98 100 99 3.5-4.1 1988=48, 1114/7977=43...(17) Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 100 100 2.7-3.0 3.0=100 HB ILE 18 + HA LEU 14 OK 91 100 100 91 3.8-5.6 3.2/9063=46...(12) HB3 LYS 19 - HA LEU 14 far 0 90 0 - 7.1-8.1 HB ILE 57 - HA LEU 14 far 0 100 0 - 9.0-11.3 QE MET 121 - HA LEU 14 far 0 97 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (1.50, 3.98, 57.26 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 17 + HA LEU 14 OK 59 61 100 96 2.5-4.6 3.7/7979=39, 3.7/7977=38...(15) HG2 LYS 20 - HA LEU 14 far 0 96 0 - 7.3-10.9 HG3 ARG 118 - HA LEU 14 far 0 77 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (1.38, 3.98, 57.26 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 14 + HA LEU 14 OK 100 100 100 100 3.5-3.7 3.7=100 HB3 LEU 114 - HA LEU 14 poor 12 61 20 - 3.2-6.7 HG3 LYS 16 - HA LEU 14 far 10 65 15 - 4.9-7.6 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (0.86, 3.98, 57.26 ppm; 3.22 A): 2 out of 9 assignments used, quality = 0.99: * QD1 LEU 14 + HA LEU 14 OK 96 100 100 96 1.8-2.0 2665=63, 11652/9063=28...(18) QG2 THR 9 + HA LEU 14 OK 65 99 80 82 4.2-4.9 9125/3.6=26...(12) QG2 VAL 117 - HA LEU 14 far 0 98 0 - 5.8-6.8 QG2 ILE 15 - HA LEU 14 far 0 87 0 - 6.0-6.1 QG2 ILE 57 - HA LEU 14 far 0 61 0 - 6.6-7.5 QG2 VAL 107 - HA LEU 14 far 0 94 0 - 7.2-9.2 QG2 VAL 22 - HA LEU 14 far 0 99 0 - 8.1-9.0 HG13 ILE 57 - HA LEU 14 far 0 100 0 - 8.7-11.6 QG2 ILE 5 - HA LEU 14 far 0 65 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 2642 from cnoeabs.peaks (0.76, 3.98, 57.26 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 14 + HA LEU 14 OK 100 100 100 100 2.3-2.9 4.0=100 QD1 ILE 15 - HA LEU 14 far 10 100 10 - 4.8-6.5 QG2 ILE 7 - HA LEU 14 far 6 61 10 - 5.3-6.4 QD1 ILE 7 - HA LEU 14 far 0 99 0 - 6.6-8.7 QG1 VAL 107 - HA LEU 14 far 0 100 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (7.58, 1.82, 40.10 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.2-3.5 4.0=100 H LYS 17 + HB2 LEU 14 OK 60 98 70 87 5.2-6.0 1988/3.0=38, 2664/3.1=31...(8) Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (3.98, 1.82, 40.10 ppm; 4.94 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 17 - HB2 LEU 14 far 0 97 0 - 7.2-8.3 HA GLU 111 - HB2 LEU 14 far 0 100 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 LEU 14 + HB2 LEU 14 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 17 - HB2 LEU 14 far 3 61 5 - 5.1-7.2 HG2 LYS 20 - HB2 LEU 14 far 0 96 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 2647 from cnoeabs.peaks (1.38, 1.82, 40.10 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 114 - HB2 LEU 14 far 6 61 10 - 4.6-8.7 HG3 LYS 16 - HB2 LEU 14 far 0 65 0 - 6.2-8.6 Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (0.86, 1.82, 40.10 ppm; 4.07 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.4-3.2 3.1=100 QG2 THR 9 + HB2 LEU 14 OK 98 99 100 99 1.9-2.8 10756/3.0=43...(19) QG2 ILE 15 + HB2 LEU 14 OK 62 87 80 89 5.2-5.7 3.2/9165=32, 4.1/70=31...(11) QG2 VAL 117 - HB2 LEU 14 poor 20 98 20 - 5.3-7.6 QG2 ILE 57 - HB2 LEU 14 lone 4 61 40 18 5.0-6.6 2709/9165=7, 2681/7984=7 QG2 VAL 107 - HB2 LEU 14 far 0 94 0 - 7.0-9.2 HG13 ILE 57 - HB2 LEU 14 far 0 100 0 - 7.0-11.2 QG2 VAL 22 - HB2 LEU 14 far 0 99 0 - 7.9-10.1 QG2 ILE 5 - HB2 LEU 14 far 0 65 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 2649 from cnoeabs.peaks (0.76, 1.82, 40.10 ppm; 3.86 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 ILE 15 + HB2 LEU 14 OK 75 100 80 94 3.5-5.4 2713/4.6=38, 2656/1.8=34...(14) QG2 ILE 7 - HB2 LEU 14 poor 18 61 95 31 3.6-5.4 11582/2937=11...(6) QD1 ILE 7 - HB2 LEU 14 far 0 99 0 - 5.9-8.6 QG1 VAL 107 - HB2 LEU 14 far 0 100 0 - 6.1-7.5 QD1 LEU 82 - HB2 LEU 14 far 0 77 0 - 8.6-11.3 QD2 LEU 80 - HB2 LEU 14 far 0 84 0 - 9.1-12.7 QD1 LEU 80 - HB2 LEU 14 far 0 87 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (7.58, 1.50, 40.10 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.1-3.5 4.0=100 H LYS 17 + HB3 LEU 14 OK 43 98 50 88 5.2-6.1 1988/3.0=37, 2664/3.1=30...(8) Violated in 0 structures by 0.00 A. Peak 2651 from cnoeabs.peaks (3.98, 1.50, 40.10 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 17 - HB3 LEU 14 far 0 97 0 - 7.2-8.4 HA GLU 111 - HB3 LEU 14 far 0 100 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (1.82, 1.50, 40.10 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 14 + HB3 LEU 14 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 18 + HB3 LEU 14 OK 34 100 35 96 4.3-6.7 2666/3.1=28, 2638/3.0=24...(22) HB ILE 57 - HB3 LEU 14 far 0 100 0 - 7.8-10.8 HB3 LYS 19 - HB3 LEU 14 far 0 90 0 - 7.9-9.9 QE MET 121 - HB3 LEU 14 far 0 97 0 - 9.6-15.1 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 114 - HB3 LEU 14 far 3 61 5 - 5.6-9.1 HG3 LYS 16 - HB3 LEU 14 far 0 65 0 - 5.9-8.9 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (0.86, 1.50, 40.10 ppm; 4.06 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.4-3.2 3.1=100 QG2 THR 9 + HB3 LEU 14 OK 96 99 100 97 2.0-3.3 9125/71=44, 10756/3.0=43...(14) QG2 ILE 15 - HB3 LEU 14 poor 20 87 25 91 5.2-5.9 4.1/71=51, 3.0/2656=29...(10) QG2 VAL 117 - HB3 LEU 14 far 10 98 10 - 5.1-7.8 QG2 ILE 57 - HB3 LEU 14 far 9 61 15 - 5.1-7.2 QG2 VAL 107 - HB3 LEU 14 far 0 94 0 - 6.9-9.0 HG13 ILE 57 - HB3 LEU 14 far 0 100 0 - 7.9-11.5 QG2 VAL 22 - HB3 LEU 14 far 0 99 0 - 8.4-10.5 QG2 ILE 5 - HB3 LEU 14 far 0 65 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (0.76, 1.50, 40.10 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 ILE 15 + HB3 LEU 14 OK 85 100 95 90 3.3-5.3 2713/71=48, 2649/1.8=29...(12) QG2 ILE 7 - HB3 LEU 14 poor 7 61 45 25 3.6-5.9 2649/1.8=7, 11583/3.1=6...(5) QD1 ILE 7 - HB3 LEU 14 far 0 99 0 - 5.7-8.8 QG1 VAL 107 - HB3 LEU 14 far 0 100 0 - 6.3-8.0 QD2 LEU 80 - HB3 LEU 14 far 0 84 0 - 9.2-12.7 QD1 LEU 82 - HB3 LEU 14 far 0 77 0 - 9.2-11.4 QD1 LEU 80 - HB3 LEU 14 far 0 87 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (7.58, 1.38, 27.05 ppm; 5.77 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HG LEU 14 OK 100 100 100 100 4.0-4.4 5.3=100 H LYS 17 + HG LEU 14 OK 52 98 55 96 6.9-7.6 2664/2.1=48, 2671/2.1=47...(6) Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (3.98, 1.38, 27.05 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 14 + HG LEU 14 OK 100 100 100 100 3.5-3.7 3.7=100 HA GLU 111 - HG LEU 14 far 10 100 10 - 6.3-8.1 HA GLU 112 - HG LEU 14 far 0 87 0 - 8.5-9.9 HA LYS 17 - HG LEU 14 far 0 97 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (1.82, 1.38, 27.05 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 14 + HG LEU 14 OK 100 100 100 100 2.3-2.6 3.0=100 HB ILE 18 - HG LEU 14 far 5 100 5 - 5.4-7.1 HB ILE 57 - HG LEU 14 far 0 100 0 - 8.8-12.1 QE MET 121 - HG LEU 14 far 0 97 0 - 9.3-15.3 HG2 ARG 105 - HG LEU 14 far 0 65 0 - 9.9-12.9 HB3 LYS 19 - HG LEU 14 far 0 90 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (1.50, 1.38, 27.05 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 14 + HG LEU 14 OK 100 100 100 100 2.3-2.6 3.0=100 HD3 LYS 17 - HG LEU 14 far 3 61 5 - 4.9-7.5 Violated in 0 structures by 0.00 A. 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): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + HG LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 9 + HG LEU 14 OK 88 99 100 89 3.0-4.3 10756=30, 2676/2.1=23...(11) QG2 VAL 107 - HG LEU 14 far 0 94 0 - 5.1-7.2 QG2 VAL 117 - HG LEU 14 far 0 98 0 - 5.4-6.4 QG2 ILE 57 - HG LEU 14 far 0 61 0 - 6.5-8.0 QG2 ILE 15 - HG LEU 14 far 0 87 0 - 7.1-7.3 HG13 ILE 57 - HG LEU 14 far 0 100 0 - 8.7-12.5 QG2 VAL 22 - HG LEU 14 far 0 99 0 - 9.3-10.8 QG2 ILE 5 - HG LEU 14 far 0 65 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (0.76, 1.38, 27.05 ppm; 3.19 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 14 + HG LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 107 - HG LEU 14 far 15 100 15 - 4.5-5.9 QG2 ILE 7 - HG LEU 14 poor 7 61 45 26 4.2-5.4 11582/11651=12...(5) QD1 ILE 15 - HG LEU 14 far 0 100 0 - 5.1-6.9 QD1 ILE 7 - HG LEU 14 far 0 99 0 - 6.7-8.4 QD1 LEU 82 - HG LEU 14 far 0 77 0 - 7.6-10.0 QD2 LEU 80 - HG LEU 14 far 0 84 0 - 8.9-11.6 QD1 LEU 80 - HG LEU 14 far 0 87 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (7.58, 0.86, 22.48 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + QD1 LEU 14 OK 100 100 100 100 3.5-4.0 4.3=82, 1090/3.1=71...(14) H LYS 17 + QD1 LEU 14 OK 94 98 100 95 4.6-5.2 1114/11474=40...(12) Violated in 0 structures by 0.00 A. Peak 2665 from cnoeabs.peaks (3.98, 0.86, 22.48 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.98: * HA LEU 14 + QD1 LEU 14 OK 96 100 100 96 1.8-2.0 2641=59, 9063/11652=25...(18) HA GLU 111 + QD1 LEU 14 OK 57 100 90 63 3.5-4.9 11192/11519=25...(11) HA LYS 17 - QD1 LEU 14 far 0 97 0 - 5.5-6.2 HA GLU 112 - QD1 LEU 14 far 0 87 0 - 6.0-6.8 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (1.82, 0.86, 22.48 ppm; 3.30 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.4-3.2 3.1=100 HB ILE 18 + QD1 LEU 14 OK 82 100 90 92 3.3-4.9 3.2/11652=50...(15) QE MET 121 - QD1 LEU 14 far 0 97 0 - 7.1-11.6 HB3 LYS 19 - QD1 LEU 14 far 0 90 0 - 7.3-8.1 HB ILE 57 - QD1 LEU 14 far 0 100 0 - 7.9-10.4 HG2 ARG 105 - QD1 LEU 14 far 0 65 0 - 8.1-10.5 HB3 ARG 105 - QD1 LEU 14 far 0 97 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (1.50, 0.86, 22.48 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.4-3.2 3.1=100 HD3 LYS 17 + QD1 LEU 14 OK 50 61 90 90 2.2-5.0 1.8/11478=43, ~11477=31...(10) HG2 LYS 20 - QD1 LEU 14 far 0 96 0 - 7.4-9.8 HG3 ARG 118 - QD1 LEU 14 far 0 77 0 - 7.5-11.0 Violated in 0 structures by 0.00 A. Peak 2668 from cnoeabs.peaks (1.38, 0.86, 22.48 ppm; 3.00 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 114 + QD1 LEU 14 OK 30 61 70 69 1.9-4.8 3.0/11519=39...(9) HG3 LYS 16 - QD1 LEU 14 far 0 65 0 - 5.9-8.3 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QD2 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 107 - QD1 LEU 14 far 15 100 15 - 3.8-5.0 QG2 ILE 7 - QD1 LEU 14 far 9 61 15 - 3.7-4.9 QD1 ILE 15 - QD1 LEU 14 far 0 100 0 - 4.9-6.5 QD1 ILE 7 - QD1 LEU 14 far 0 99 0 - 5.0-6.9 QD1 LEU 82 - QD1 LEU 14 far 0 77 0 - 7.1-9.8 QD2 LEU 80 - QD1 LEU 14 far 0 84 0 - 7.9-10.8 QD1 LEU 80 - QD1 LEU 14 far 0 87 0 - 8.2-10.8 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (7.58, 0.76, 24.53 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-2.8 4.3=100 H LYS 17 + QD2 LEU 14 OK 93 98 100 95 5.2-5.9 1114/11473=48...(9) Violated in 0 structures by 0.00 A. Peak 2672 from cnoeabs.peaks (3.98, 0.76, 24.53 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.3-2.9 4.0=100 HA GLU 111 + QD2 LEU 14 OK 52 100 80 65 4.5-6.1 2665/2.1=35, 3.6/7358=18...(6) HA LYS 17 - QD2 LEU 14 far 0 97 0 - 6.5-7.5 HA GLU 112 - QD2 LEU 14 far 0 87 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (1.82, 0.76, 24.53 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-3.2 3.1=100 HB ILE 18 - QD2 LEU 14 far 0 100 0 - 5.5-6.9 HB3 LYS 19 - QD2 LEU 14 far 0 90 0 - 8.6-9.5 HB ILE 57 - QD2 LEU 14 far 0 100 0 - 8.8-11.2 QE MET 121 - QD2 LEU 14 far 0 97 0 - 9.2-13.8 HG2 ARG 105 - QD2 LEU 14 far 0 65 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (1.50, 0.76, 24.53 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-3.2 3.1=100 HD3 LYS 17 + QD2 LEU 14 OK 54 61 100 88 3.1-4.5 1.8/11477=48, ~11478=33...(9) HG2 LYS 20 - QD2 LEU 14 far 0 96 0 - 8.7-11.6 HG3 ARG 118 - QD2 LEU 14 far 0 77 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 2675 from cnoeabs.peaks (1.38, 0.76, 24.53 ppm; 2.90 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 114 - QD2 LEU 14 far 3 61 5 - 4.1-7.1 HG3 LYS 16 - QD2 LEU 14 far 0 65 0 - 6.2-7.7 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (0.86, 0.76, 24.53 ppm; 2.61 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 THR 9 + QD2 LEU 14 OK 38 99 50 76 3.5-4.5 3.0/11006=19...(17) QG2 VAL 107 - QD2 LEU 14 far 0 94 0 - 4.4-6.3 QG2 VAL 117 - QD2 LEU 14 far 0 98 0 - 5.8-6.6 QG2 ILE 15 - QD2 LEU 14 far 0 87 0 - 6.5-6.7 QG2 ILE 57 - QD2 LEU 14 far 0 61 0 - 6.6-7.7 QG2 VAL 22 - QD2 LEU 14 far 0 99 0 - 8.8-9.6 HG13 ILE 57 - QD2 LEU 14 far 0 100 0 - 8.9-11.7 QG2 ILE 5 - QD2 LEU 14 far 0 65 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB ILE 15 + HA ILE 15 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 17 + HA ILE 15 OK 39 97 75 54 5.2-7.0 95/1993=48, 1097/2.9=12 HB2 LEU 81 - HA ILE 15 far 0 99 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 2681 from cnoeabs.peaks (0.85, 3.22, 66.59 ppm; 3.37 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HA ILE 15 OK 100 100 100 100 2.1-2.3 3.2=100 QG2 ILE 57 + HA ILE 15 OK 82 97 100 85 2.9-4.3 3.0/9559=33, ~9556=17...(18) QG2 THR 9 + HA ILE 15 OK 54 73 100 74 2.9-3.6 9116/3.9=23, 9125/2.9=22...(11) HG13 ILE 57 - HA ILE 15 far 4 87 5 - 4.7-7.2 QD1 LEU 14 - HA ILE 15 far 4 87 5 - 4.8-5.3 QG2 VAL 117 - HA ILE 15 far 0 65 0 - 5.9-7.7 QG2 VAL 22 - HA ILE 15 far 0 97 0 - 6.3-7.2 QG2 ILE 5 - HA ILE 15 far 0 98 0 - 7.5-9.7 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (1.73, 3.22, 66.59 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 15 + HA ILE 15 OK 100 100 100 100 3.2-3.5 3.9=100 HB2 LEU 114 - HA ILE 15 far 0 94 0 - 6.7-10.6 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (0.64, 3.22, 66.59 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 2.6-3.9 3.9=77, 2.1/2684=67...(18) QG1 VAL 22 - HA ILE 15 far 0 100 0 - 6.3-7.5 QD1 ILE 5 - HA ILE 15 far 0 87 0 - 9.4-12.3 Violated in 2 structures by 0.03 A. Peak 2684 from cnoeabs.peaks (0.76, 3.22, 66.59 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 15 + HA ILE 15 OK 100 100 100 100 2.2-3.9 2.1/2683=67, 2714=65...(17) QD1 ILE 7 - HA ILE 15 far 0 100 0 - 5.3-7.4 QD2 LEU 14 - HA ILE 15 far 0 100 0 - 6.0-6.1 QG1 VAL 107 - HA ILE 15 far 0 100 0 - 9.0-10.3 QG2 VAL 32 - HA ILE 15 far 0 100 0 - 9.7-11.1 QD2 LEU 80 - HA ILE 15 far 0 87 0 - 9.9-13.3 Violated in 18 structures by 0.25 A. 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 100 100 100 100 2.7-3.0 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HB ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 57 + HB ILE 15 OK 40 97 50 83 4.1-6.4 3.0/9556=36, 2681/3.0=16...(15) QG2 THR 9 + HB ILE 15 OK 37 73 80 63 4.2-5.3 9116/2.9=26, 9118/2.9=17...(5) HG13 ILE 57 - HB ILE 15 far 0 87 0 - 6.5-9.0 QD1 LEU 14 - HB ILE 15 far 0 87 0 - 6.5-6.8 QG2 VAL 22 - HB ILE 15 far 0 97 0 - 8.1-8.7 QG2 VAL 117 - HB ILE 15 far 0 65 0 - 8.4-10.1 QG2 ILE 5 - HB ILE 15 far 0 98 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 2689 from cnoeabs.peaks (1.73, 1.92, 37.42 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 15 + HB ILE 15 OK 100 100 100 100 2.4-2.5 2.9=100 HB2 LEU 114 - HB ILE 15 far 0 94 0 - 8.7-12.5 Violated in 0 structures by 0.00 A. Peak 2690 from cnoeabs.peaks (0.64, 1.92, 37.42 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 15 + HB ILE 15 OK 100 100 100 100 2.4-3.0 2.9=100 QG1 VAL 22 - HB ILE 15 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 2691 from cnoeabs.peaks (0.76, 1.92, 37.42 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 15 + HB ILE 15 OK 100 100 100 100 2.3-3.2 3.2=100 QD2 LEU 14 - HB ILE 15 far 0 100 0 - 6.4-6.8 QD1 ILE 7 - HB ILE 15 far 0 100 0 - 7.8-9.8 QG2 VAL 32 - HB ILE 15 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2692 from cnoeabs.peaks (8.24, 0.85, 17.08 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 15 + QG2 ILE 15 OK 100 100 100 100 3.7-3.8 4.1=100 H ILE 15 - QG2 ILE 5 far 0 95 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2693 from cnoeabs.peaks (3.22, 0.85, 17.08 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-2.3 3.2=100 HB2 PHE 120 + QG2 ILE 5 OK 94 95 100 99 2.3-3.5 2.4/4707=70, ~11352=29...(20) HA ILE 15 - QG2 ILE 5 far 0 95 0 - 7.5-9.7 Violated in 0 structures by 0.00 A. Peak 2694 from cnoeabs.peaks (1.92, 0.85, 17.08 ppm; 3.26 A): 3 out of 14 assignments used, quality = 1.00: * HB ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 MET 121 + QG2 ILE 5 OK 57 95 80 75 3.6-5.2 11535/3.2=24, ~10592=22...(13) HB2 LEU 81 + QG2 ILE 5 OK 36 93 100 38 3.7-4.7 11621/10941=16...(6) HB3 LYS 17 - QG2 ILE 15 far 0 97 0 - 6.3-7.7 HB3 LYS 123 - QG2 ILE 5 far 0 95 0 - 6.4-8.2 HB2 LYS 123 - QG2 ILE 5 far 0 54 0 - 6.7-8.4 HB2 LEU 81 - QG2 ILE 15 far 0 99 0 - 8.2-11.2 HB ILE 71 - QG2 ILE 5 far 0 54 0 - 8.4-9.7 HB2 LEU 127 - QG2 ILE 5 far 0 58 0 - 8.8-11.4 HB2 LYS 115 - QG2 ILE 5 far 0 75 0 - 9.2-10.9 HB3 LYS 115 - QG2 ILE 5 far 0 54 0 - 9.6-10.6 HB ILE 15 - QG2 ILE 5 far 0 95 0 - 9.7-12.2 HB2 GLU 128 - QG2 ILE 5 far 0 72 0 - 9.9-11.9 HB3 LYS 17 - QG2 ILE 5 far 0 90 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG12 ILE 15 + QG2 ILE 15 OK 100 100 100 100 3.2-3.2 3.2=100 HG2 ARG 118 - QG2 ILE 5 far 0 94 0 - 6.9-8.3 HB2 LEU 114 - QG2 ILE 15 far 0 94 0 - 7.8-11.0 HB2 LEU 114 - QG2 ILE 5 far 0 86 0 - 8.1-10.5 HB3 LEU 82 - QG2 ILE 5 far 0 84 0 - 8.8-10.8 HG12 ILE 15 - QG2 ILE 5 far 0 95 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (0.64, 0.85, 17.08 ppm; 2.89 A): 3 out of 11 assignments used, quality = 0.99: * HG13 ILE 15 + QG2 ILE 15 OK 96 100 100 96 2.4-2.5 3.2=74, 2.1/2698=39...(11) QD1 ILE 5 + QG2 ILE 5 OK 78 78 100 99 1.8-2.2 3.0=93, 2439/2.1=34...(25) QG1 VAL 22 + QG2 ILE 5 OK 21 95 55 40 3.7-4.9 3166=12, 10850/4707=5...(12) QD1 ILE 71 - QG2 ILE 5 far 0 58 0 - 6.0-7.6 QG1 VAL 22 - QG2 ILE 15 far 0 100 0 - 6.4-7.2 QD1 LEU 4 - QG2 ILE 5 far 0 91 0 - 6.4-6.8 QD1 ILE 54 - QG2 ILE 5 far 0 95 0 - 8.1-9.7 QD1 ILE 5 - QG2 ILE 15 far 0 87 0 - 8.4-11.3 HG13 ILE 15 - QG2 ILE 5 far 0 95 0 - 8.7-12.3 QD1 ILE 54 - QG2 ILE 15 far 0 100 0 - 9.4-11.4 QD1 ILE 71 - QG2 ILE 15 far 0 65 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2698 from cnoeabs.peaks (0.76, 0.85, 17.08 ppm; 2.69 A): 2 out of 20 assignments used, quality = 0.98: * QD1 ILE 15 + QG2 ILE 15 OK 95 100 100 95 1.9-2.1 3.0=75, 2684/3.2=28...(12) QD1 ILE 7 + QG2 ILE 5 OK 65 94 100 69 1.8-2.8 9075/3.2=19...(12) QD2 LEU 80 - QG2 ILE 5 far 0 78 0 - 5.0-7.2 QD1 ILE 7 - QG2 ILE 15 far 0 100 0 - 5.3-7.2 QD1 LEU 80 - QG2 ILE 5 far 0 81 0 - 5.4-7.0 QD2 LEU 64 - QG2 ILE 5 far 0 54 0 - 6.2-9.2 QG2 ILE 54 - QG2 ILE 5 far 0 58 0 - 6.4-7.5 QD2 LEU 14 - QG2 ILE 15 far 0 100 0 - 6.5-6.7 QG2 VAL 32 - QG2 ILE 15 far 0 100 0 - 6.7-8.0 QD1 LEU 82 - QG2 ILE 5 far 0 72 0 - 6.8-9.3 QG1 VAL 107 - QG2 ILE 5 far 0 95 0 - 7.5-9.0 QG2 ILE 54 - QG2 ILE 15 far 0 65 0 - 8.0-9.6 QD1 LEU 45 - QG2 ILE 5 far 0 84 0 - 8.4-9.8 QD2 LEU 64 - QG2 ILE 15 far 0 61 0 - 8.4-10.8 QD1 ILE 15 - QG2 ILE 5 far 0 95 0 - 8.5-10.5 QD2 LEU 80 - QG2 ILE 15 far 0 87 0 - 8.7-12.0 QD1 LEU 80 - QG2 ILE 15 far 0 90 0 - 9.0-11.4 QG2 VAL 32 - QG2 ILE 5 far 0 95 0 - 9.0-10.2 QG1 VAL 107 - QG2 ILE 15 far 0 100 0 - 9.1-10.4 QD2 LEU 14 - QG2 ILE 5 far 0 95 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (8.24, 1.73, 30.33 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HG12 ILE 15 OK 100 100 100 100 1.6-1.9 1099=100, 1100/1.8=88...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-3.5 3.9=100 Violated in 0 structures by 0.00 A. Peak 2701 from cnoeabs.peaks (1.92, 1.73, 30.33 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.4-2.5 2.9=100 HB3 LYS 17 - HG12 ILE 15 far 0 97 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 2702 from cnoeabs.peaks (0.85, 1.73, 30.33 ppm; 3.79 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HG12 ILE 15 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 THR 9 + HG12 ILE 15 OK 67 73 100 91 2.4-3.9 9116=60, 9118/1.8=31...(8) QG2 ILE 57 + HG12 ILE 15 OK 64 97 80 82 4.0-6.6 2709/1.8=24, ~9556=23...(13) QD1 LEU 14 - HG12 ILE 15 far 0 87 0 - 5.5-5.9 HG13 ILE 57 - HG12 ILE 15 far 0 87 0 - 6.9-9.8 QG2 VAL 117 - HG12 ILE 15 far 0 65 0 - 7.9-9.4 QG2 VAL 22 - HG12 ILE 15 far 0 97 0 - 9.1-9.8 QG2 ILE 5 - HG12 ILE 15 far 0 98 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG13 ILE 15 + HG12 ILE 15 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 22 - HG12 ILE 15 far 0 100 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 2705 from cnoeabs.peaks (0.76, 1.73, 30.33 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 14 + HG12 ILE 15 OK 29 100 40 72 5.0-5.4 4.0/9163=27, 74/1099=26...(7) QD1 ILE 7 - HG12 ILE 15 far 0 100 0 - 7.7-9.3 QG1 VAL 107 - HG12 ILE 15 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 2706 from cnoeabs.peaks (8.24, 0.64, 30.33 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.4-3.4 1100=100, 1099/1.8=99...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 2708 from cnoeabs.peaks (1.92, 0.64, 30.33 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 17 - HG13 ILE 15 far 0 97 0 - 6.9-8.9 HB2 LEU 81 - HG13 ILE 15 far 0 99 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 2709 from cnoeabs.peaks (0.85, 0.64, 30.33 ppm; 3.75 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.4-2.5 3.2=100 QG2 ILE 57 + HG13 ILE 15 OK 78 97 100 81 2.6-5.2 ~9556=23, 11687/2683=20...(13) QG2 THR 9 + HG13 ILE 15 OK 66 73 100 90 1.9-3.8 9116/1.8=47, 9118=38...(9) HG13 ILE 57 - HG13 ILE 15 far 0 87 0 - 5.3-8.7 QD1 LEU 14 - HG13 ILE 15 far 0 87 0 - 5.7-7.1 QG2 VAL 117 - HG13 ILE 15 far 0 65 0 - 7.3-10.5 QG2 VAL 22 - HG13 ILE 15 far 0 97 0 - 8.3-10.0 QG2 ILE 5 - HG13 ILE 15 far 0 98 0 - 8.7-12.3 Violated in 0 structures by 0.00 A. Peak 2710 from cnoeabs.peaks (1.73, 0.64, 30.33 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 15 + HG13 ILE 15 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 114 - HG13 ILE 15 far 0 94 0 - 8.6-13.6 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QD1 ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 14 - HG13 ILE 15 far 0 100 0 - 5.7-6.5 QD1 ILE 7 - HG13 ILE 15 far 0 100 0 - 6.5-9.3 QG2 VAL 32 - HG13 ILE 15 far 0 100 0 - 8.7-10.8 QG1 VAL 107 - HG13 ILE 15 far 0 100 0 - 9.0-11.3 QD2 LEU 80 - HG13 ILE 15 far 0 87 0 - 9.5-13.5 QD2 LEU 64 - HG13 ILE 15 far 0 61 0 - 9.6-11.8 QD1 LEU 80 - HG13 ILE 15 far 0 90 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 2713 from cnoeabs.peaks (8.24, 0.76, 13.07 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.9-3.6 1099/2.1=79, 1100/2.1=76...(14) Violated in 0 structures by 0.00 A. Peak 2714 from cnoeabs.peaks (3.22, 0.76, 13.07 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.2-3.9 2684=100, 2683/2.1=83...(17) Violated in 0 structures by 0.00 A. Peak 2715 from cnoeabs.peaks (1.92, 0.76, 13.07 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.3-3.2 3.2=100 HB3 LYS 17 - QD1 ILE 15 far 0 97 0 - 6.3-8.7 HB2 LEU 81 - QD1 ILE 15 far 0 99 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (0.85, 0.76, 13.07 ppm; 2.74 A): 3 out of 8 assignments used, quality = 0.99: * QG2 ILE 15 + QD1 ILE 15 OK 96 100 100 96 1.9-2.1 3.0=79, 3.2/2684=29...(12) QG2 THR 9 + QD1 ILE 15 OK 49 73 100 67 1.7-4.2 9116/2.1=22, 9118/2.1=15...(12) QG2 ILE 57 + QD1 ILE 15 OK 40 97 85 48 2.4-5.4 2709/2.1=11...(12) QD1 LEU 14 - QD1 ILE 15 far 0 87 0 - 4.9-6.5 HG13 ILE 57 - QD1 ILE 15 far 0 87 0 - 5.5-7.7 QG2 VAL 117 - QD1 ILE 15 far 0 65 0 - 7.2-8.9 QG2 VAL 22 - QD1 ILE 15 far 0 97 0 - 7.5-8.8 QG2 ILE 5 - QD1 ILE 15 far 0 98 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (1.73, 0.76, 13.07 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 114 - QD1 ILE 15 far 0 94 0 - 9.1-12.0 HB3 LEU 82 - QD1 ILE 15 far 0 92 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (0.64, 0.76, 13.07 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 22 - QD1 ILE 15 far 0 100 0 - 7.2-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 16 + HA LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 20 - HA LYS 16 far 0 92 0 - 5.2-7.5 HB2 LYS 20 - HA LYS 16 far 0 92 0 - 5.6-7.1 HB ILE 7 - HA LYS 16 far 0 87 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2723 from cnoeabs.peaks (1.88, 3.84, 60.17 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 16 + HA LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 20 - HA LYS 16 far 0 94 0 - 5.2-7.5 HB2 LYS 20 - HA LYS 16 far 0 94 0 - 5.6-7.1 HB ILE 7 - HA LYS 16 far 0 90 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.63, 3.84, 60.17 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.8-4.0 3.8=83, 1.8/2761=68...(43) Violated in 6 structures by 0.12 A. Peak 2725 from cnoeabs.peaks (1.40, 3.84, 60.17 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 16 + HA LYS 16 OK 100 100 100 100 2.8-4.0 2761=100, 1.8/2724=78...(43) HB3 LEU 114 - HA LYS 16 far 0 100 0 - 8.4-11.4 HG LEU 14 - HA LYS 16 far 0 65 0 - 9.6-10.2 QB ALA 113 - HA LYS 16 far 0 81 0 - 9.7-10.7 Violated in 14 structures by 0.14 A. Peak 2726 from cnoeabs.peaks (1.69, 3.84, 60.17 ppm; 3.49 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.3-4.8 2.9/2724=54, 2.9/2761=51...(47) HD3 LYS 16 + HA LYS 16 OK 95 100 95 100 2.8-5.2 2.9/2724=54, 2.9/2761=51...(47) HD2 LYS 20 - HA LYS 16 poor 20 100 20 - 4.8-9.1 HD3 LYS 20 - HA LYS 16 lone 7 100 45 15 3.8-8.2 6.2/2004=15 HD2 LYS 17 - HA LYS 16 far 0 99 0 - 7.1-8.4 Violated in 4 structures by 0.07 A. Peak 2727 from cnoeabs.peaks (1.69, 3.84, 60.17 ppm; 3.49 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.3-4.8 2.9/2724=54, 2.9/2761=51...(47) * HD3 LYS 16 + HA LYS 16 OK 95 100 95 100 2.8-5.2 2.9/2724=54, 2.9/2761=51...(47) HD2 LYS 20 - HA LYS 16 poor 20 100 20 - 4.8-9.1 HD3 LYS 20 - HA LYS 16 lone 7 100 45 15 3.8-8.2 6.2/2004=15 HD2 LYS 17 - HA LYS 16 far 0 96 0 - 7.1-8.4 Violated in 4 structures by 0.07 A. Peak 2730 from cnoeabs.peaks (7.60, 1.88, 32.16 ppm; 3.12 A): 3 out of 5 assignments used, quality = 1.00: H LYS 16 + HB3 LYS 16 OK 97 100 100 97 2.9-3.6 1106/3.0=51, 4.0=46...(13) * H LYS 16 + HB2 LYS 16 OK 97 100 100 97 2.8-3.5 1106/3.0=51, 4.0=46...(13) H LEU 74 + HB3 LYS 73 OK 51 60 100 85 3.1-4.1 4.3=37, 456/2.9=34...(9) H LYS 16 - HB3 LYS 20 far 0 65 0 - 7.1-9.5 H LYS 16 - HB2 LYS 20 far 0 65 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 2731 from cnoeabs.peaks (3.84, 1.88, 32.16 ppm; 3.23 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 16 - HB3 LYS 20 far 0 65 0 - 5.2-7.5 HA LYS 16 - HB2 LYS 20 far 0 65 0 - 5.6-7.1 HA2 GLY 75 - HB3 LYS 73 far 0 57 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 2732 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 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 4 assignments used, quality = 1.00: * HG2 LYS 16 + HB2 LYS 16 OK 99 100 100 99 2.2-3.0 3.0=87, 2724/3.0=34...(31) HG2 LYS 16 + HB3 LYS 16 OK 99 100 100 99 2.3-3.0 3.0=87, 2724/3.0=34...(31) HG2 LYS 16 - HB3 LYS 20 far 0 65 0 - 7.4-10.0 HG2 LYS 16 - HB2 LYS 20 far 0 65 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (1.40, 1.88, 32.16 ppm; 3.15 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 114 - HB3 LYS 20 far 0 65 0 - 6.5-11.1 HB3 LEU 114 - HB2 LYS 20 far 0 65 0 - 6.5-10.6 HB3 LEU 68 - HB3 LYS 73 far 0 41 0 - 7.9-11.2 HG3 LYS 16 - HB3 LYS 20 far 0 65 0 - 7.9-10.1 HB3 LEU 114 - HB3 LYS 16 far 0 100 0 - 8.1-12.2 HB3 LEU 114 - HB2 LYS 16 far 0 100 0 - 8.1-11.9 HG3 LYS 16 - HB2 LYS 20 far 0 65 0 - 8.4-9.8 HG LEU 14 - HB2 LYS 16 far 0 65 0 - 8.9-11.1 HG LEU 14 - HB3 LYS 16 far 0 65 0 - 9.1-11.0 QB ALA 113 - HB2 LYS 16 far 0 81 0 - 9.2-11.4 QB ALA 113 - HB3 LYS 16 far 0 80 0 - 9.5-11.6 QB ALA 113 - HB3 LYS 20 far 0 46 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2736 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 10 out of 26 assignments used, quality = 1.00: * HD2 LYS 16 + HB2 LYS 16 OK 98 100 100 98 2.3-3.6 3.6=40, 2756/3.0=21...(47) HD2 LYS 16 + HB3 LYS 16 OK 98 100 100 98 2.0-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB3 LYS 16 OK 93 100 95 98 3.2-4.2 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 88 100 90 98 2.2-4.2 3.6=40, 2756/3.0=21...(47) HD3 LYS 20 + HB3 LYS 20 OK 64 65 100 99 2.3-3.8 3.4=46, 3079/2.9=23...(76) HD2 LYS 20 + HB2 LYS 20 OK 64 65 100 99 2.2-4.2 3.4=46, 3079/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 64 65 100 99 2.2-4.0 3.4=46, 3079/2.9=23...(75) HD3 LYS 73 + HB3 LYS 73 OK 61 62 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 58 62 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD3 LYS 20 + HB2 LYS 20 OK 45 65 70 99 2.0-4.2 3.4=46, 3079/2.9=23...(76) HD3 LYS 20 - HB2 LYS 16 far 5 100 5 - 4.2-7.9 HD3 LYS 20 - HB3 LYS 16 far 5 100 5 - 4.1-7.8 HG LEU 74 - HB3 LYS 73 far 2 34 5 - 4.1-7.3 HD2 LYS 17 - HB3 LYS 16 far 0 99 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 99 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.2-9.2 HG12 ILE 71 - HB3 LYS 73 far 0 56 0 - 6.7-10.2 HD2 LYS 43 - HB3 LYS 73 far 0 57 0 - 7.0-12.3 HD2 LYS 17 - HB3 LYS 20 far 0 62 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 62 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 62 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 65 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 65 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 64 0 - 8.0-11.1 HD3 LYS 16 - HB2 LYS 20 far 0 64 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 2737 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 10 out of 26 assignments used, quality = 1.00: HD2 LYS 16 + HB2 LYS 16 OK 98 100 100 98 2.3-3.6 3.6=40, 2757/3.0=21...(47) HD2 LYS 16 + HB3 LYS 16 OK 98 100 100 98 2.0-3.6 3.6=40, 2757/3.0=21...(47) HD3 LYS 16 + HB3 LYS 16 OK 93 100 95 98 3.2-4.2 3.6=40, 2757/3.0=21...(47) * HD3 LYS 16 + HB2 LYS 16 OK 88 100 90 98 2.2-4.2 3.6=40, 2757/3.0=21...(47) HD2 LYS 20 + HB2 LYS 20 OK 64 65 100 99 2.2-4.2 3.4=46, 3078/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 64 65 100 99 2.2-4.0 3.4=46, 3078/2.9=23...(75) HD3 LYS 20 + HB3 LYS 20 OK 64 65 100 99 2.3-3.8 3.4=46, 3078/2.9=23...(76) HD3 LYS 73 + HB3 LYS 73 OK 59 60 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 57 61 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD3 LYS 20 + HB2 LYS 20 OK 45 65 70 99 2.0-4.2 3.4=46, 3078/2.9=23...(76) HD3 LYS 20 - HB2 LYS 16 far 5 100 5 - 4.2-7.9 HD3 LYS 20 - HB3 LYS 16 far 5 100 5 - 4.1-7.8 HG LEU 74 - HB3 LYS 73 far 2 41 5 - 4.1-7.3 HD2 LYS 17 - HB3 LYS 16 far 0 95 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 96 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.2-9.2 HG12 ILE 71 - HB3 LYS 73 far 0 60 0 - 6.7-10.2 HD2 LYS 43 - HB3 LYS 73 far 0 52 0 - 7.0-12.3 HD2 LYS 17 - HB3 LYS 20 far 0 58 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 60 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 58 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 64 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 64 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.0-11.1 HD3 LYS 16 - HB2 LYS 20 far 0 65 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 15 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-4.9 5.1=41, 2794/3.0=39...(51) HE3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 3.1-4.9 5.1=41, 2794/3.0=39...(49) * HE2 LYS 16 + HB2 LYS 16 OK 85 100 85 100 3.3-5.5 5.1=41, 2794/3.0=39...(51) HE2 LYS 16 + HB3 LYS 16 OK 85 100 85 100 2.5-5.5 5.1=41, 2794/3.0=39...(49) HE3 LYS 17 - HB3 LYS 16 far 5 92 5 - 4.9-9.4 HE3 LYS 17 - HB2 LYS 20 far 0 55 0 - 5.9-9.4 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 6.3-8.9 HE3 LYS 17 - HB3 LYS 20 far 0 55 0 - 7.3-10.2 HE3 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.7-11.9 HE3 LYS 115 - HB3 LYS 20 far 0 65 0 - 8.9-18.1 HE3 LYS 16 - HB2 LYS 20 far 0 65 0 - 9.0-11.6 HE2 LYS 16 - HB3 LYS 20 far 0 65 0 - 9.2-12.2 HE2 LYS 115 - HB3 LYS 20 far 0 65 0 - 9.8-18.5 HE2 LYS 16 - HB2 LYS 20 far 0 65 0 - 9.8-11.8 HE3 LYS 115 - HB2 LYS 20 far 0 65 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 2739 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 15 assignments used, quality = 1.00: * HE3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-4.9 5.1=41, 2794/3.0=39...(51) HE3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 3.1-4.9 5.1=41, 2794/3.0=39...(49) HE2 LYS 16 + HB2 LYS 16 OK 85 100 85 100 3.3-5.5 5.1=41, 2794/3.0=39...(51) HE2 LYS 16 + HB3 LYS 16 OK 85 100 85 100 2.5-5.5 5.1=41, 2794/3.0=39...(49) HE3 LYS 17 - HB3 LYS 16 far 5 92 5 - 4.9-9.4 HE3 LYS 17 - HB2 LYS 20 far 0 55 0 - 5.9-9.4 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 6.3-8.9 HE3 LYS 17 - HB3 LYS 20 far 0 55 0 - 7.3-10.2 HE3 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.7-11.9 HE3 LYS 115 - HB3 LYS 20 far 0 65 0 - 8.9-18.1 HE3 LYS 16 - HB2 LYS 20 far 0 65 0 - 9.0-11.6 HE2 LYS 16 - HB3 LYS 20 far 0 65 0 - 9.2-12.2 HE2 LYS 115 - HB3 LYS 20 far 0 65 0 - 9.8-18.5 HE2 LYS 16 - HB2 LYS 20 far 0 65 0 - 9.8-11.8 HE3 LYS 115 - HB2 LYS 20 far 0 65 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (7.60, 1.88, 32.16 ppm; 3.12 A): 4 out of 6 assignments used, quality = 1.00: * H LYS 16 + HB3 LYS 16 OK 97 100 100 97 2.9-3.6 1106/3.0=51, 4.0=46...(13) H LYS 16 + HB2 LYS 16 OK 97 100 100 97 2.8-3.5 1106/3.0=51, 4.0=46...(13) H LEU 74 + HB3 LYS 73 OK 55 65 100 85 3.1-4.1 4.3=37, 456/2.9=34...(9) H LEU 74 + HB2 LYS 73 OK 52 60 100 86 2.5-4.4 4.3=37, 456/2.9=34...(9) H LYS 16 - HB3 LYS 20 far 0 69 0 - 7.1-9.5 H LYS 16 - HB2 LYS 20 far 0 69 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 2741 from cnoeabs.peaks (3.84, 1.88, 32.16 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 16 - HB3 LYS 20 far 0 69 0 - 5.2-7.5 HA LYS 16 - HB2 LYS 20 far 0 69 0 - 5.6-7.1 HA2 GLY 75 - HB2 LYS 73 far 0 57 0 - 6.7-8.0 HA2 GLY 75 - HB3 LYS 73 far 0 62 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 2742 from cnoeabs.peaks (1.88, 1.88, 32.16 ppm; diagonal): 6 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): 6 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 4 assignments used, quality = 1.00: * HG2 LYS 16 + HB3 LYS 16 OK 99 100 100 99 2.3-3.0 3.0=87, 2724/3.0=34...(31) HG2 LYS 16 + HB2 LYS 16 OK 99 100 100 99 2.2-3.0 3.0=87, 2724/3.0=34...(31) HG2 LYS 16 - HB3 LYS 20 far 0 69 0 - 7.4-10.0 HG2 LYS 16 - HB2 LYS 20 far 0 69 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 2745 from cnoeabs.peaks (1.40, 1.88, 32.16 ppm; 3.15 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 114 - HB3 LYS 20 far 0 69 0 - 6.5-11.1 HB3 LEU 114 - HB2 LYS 20 far 0 69 0 - 6.5-10.6 HB3 LEU 68 - HB3 LYS 73 far 0 45 0 - 7.9-11.2 HG3 LYS 16 - HB3 LYS 20 far 0 69 0 - 7.9-10.1 HB3 LEU 114 - HB3 LYS 16 far 0 100 0 - 8.1-12.2 HB3 LEU 114 - HB2 LYS 16 far 0 100 0 - 8.1-11.9 HG3 LYS 16 - HB2 LYS 20 far 0 69 0 - 8.4-9.8 HG LEU 14 - HB2 LYS 16 far 0 65 0 - 8.9-11.1 HG LEU 14 - HB3 LYS 16 far 0 65 0 - 9.1-11.0 QB ALA 113 - HB2 LYS 16 far 0 80 0 - 9.2-11.4 QB ALA 113 - HB3 LYS 16 far 0 81 0 - 9.5-11.6 HB3 LEU 68 - HB2 LYS 73 far 0 41 0 - 9.5-10.8 QB ALA 113 - HB3 LYS 20 far 0 49 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 12 out of 32 assignments used, quality = 1.00: * HD2 LYS 16 + HB3 LYS 16 OK 98 100 100 98 2.0-3.6 3.6=40, 2756/3.0=21...(47) HD2 LYS 16 + HB2 LYS 16 OK 98 100 100 98 2.3-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB3 LYS 16 OK 93 100 95 98 3.2-4.2 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 88 100 90 98 2.2-4.2 3.6=40, 2756/3.0=21...(47) HD3 LYS 20 + HB3 LYS 20 OK 68 69 100 99 2.3-3.8 3.4=46, 3079/2.9=23...(76) HD2 LYS 20 + HB2 LYS 20 OK 68 69 100 99 2.2-4.2 3.4=46, 3079/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 68 69 100 99 2.2-4.0 3.4=46, 3079/2.9=23...(75) HD3 LYS 73 + HB3 LYS 73 OK 66 68 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 63 68 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB2 LYS 73 OK 61 62 100 98 2.1-3.6 3.8=33, 5177/2.9=24...(80) HD3 LYS 73 + HB2 LYS 73 OK 61 62 100 98 2.0-4.0 3.8=33, 5177/2.9=24...(80) HD3 LYS 20 + HB2 LYS 20 OK 48 69 70 99 2.0-4.2 3.4=46, 3079/2.9=23...(76) HG LEU 74 - HB2 LYS 73 poor 10 34 30 - 3.3-7.2 HD3 LYS 20 - HB3 LYS 16 far 5 100 5 - 4.1-7.8 HD3 LYS 20 - HB2 LYS 16 far 5 100 5 - 4.2-7.9 HG LEU 74 - HB3 LYS 73 far 2 37 5 - 4.1-7.3 HD2 LYS 17 - HB3 LYS 16 far 0 99 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 99 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.2-9.2 HD3 LYS 43 - HB2 LYS 73 far 0 62 0 - 6.0-10.7 HG12 ILE 71 - HB3 LYS 73 far 0 61 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 57 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 62 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 56 0 - 7.1-9.0 HD2 LYS 17 - HB3 LYS 20 far 0 66 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 68 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 66 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 69 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 69 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 68 0 - 8.0-11.1 HD3 LYS 16 - HB2 LYS 20 far 0 68 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 12 out of 32 assignments used, quality = 1.00: HD2 LYS 16 + HB3 LYS 16 OK 98 100 100 98 2.0-3.6 3.6=40, 2757/3.0=21...(47) HD2 LYS 16 + HB2 LYS 16 OK 98 100 100 98 2.3-3.6 3.6=40, 2757/3.0=21...(47) * HD3 LYS 16 + HB3 LYS 16 OK 93 100 95 98 3.2-4.2 3.6=40, 2757/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 88 100 90 98 2.2-4.2 3.6=40, 2757/3.0=21...(47) HD2 LYS 20 + HB2 LYS 20 OK 68 69 100 99 2.2-4.2 3.4=46, 3078/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 68 69 100 99 2.2-4.0 3.4=46, 3078/2.9=23...(75) HD3 LYS 20 + HB3 LYS 20 OK 68 69 100 99 2.3-3.8 3.4=46, 3078/2.9=23...(76) HD3 LYS 73 + HB3 LYS 73 OK 64 65 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 62 66 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB2 LYS 73 OK 60 61 100 98 2.1-3.6 3.8=33, 5177/2.9=24...(80) HD3 LYS 73 + HB2 LYS 73 OK 59 60 100 98 2.0-4.0 3.8=33, 5177/2.9=24...(80) HD3 LYS 20 + HB2 LYS 20 OK 47 69 70 99 2.0-4.2 3.4=46, 3078/2.9=23...(76) HG LEU 74 - HB2 LYS 73 poor 12 41 30 - 3.3-7.2 HD3 LYS 20 - HB3 LYS 16 far 5 100 5 - 4.1-7.8 HD3 LYS 20 - HB2 LYS 16 far 5 100 5 - 4.2-7.9 HG LEU 74 - HB3 LYS 73 far 2 45 5 - 4.1-7.3 HD2 LYS 17 - HB3 LYS 16 far 0 96 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 95 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.2-9.2 HD3 LYS 43 - HB2 LYS 73 far 0 60 0 - 6.0-10.7 HG12 ILE 71 - HB3 LYS 73 far 0 65 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 52 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 57 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 60 0 - 7.1-9.0 HD2 LYS 17 - HB3 LYS 20 far 0 62 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 65 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 62 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 68 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 68 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.0-11.1 HD3 LYS 16 - HB2 LYS 20 far 0 69 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 15 assignments used, quality = 1.00: HE3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 3.1-4.9 5.1=41, 2794/3.0=39...(49) HE3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-4.9 5.1=41, 2794/3.0=39...(51) * HE2 LYS 16 + HB3 LYS 16 OK 85 100 85 100 2.5-5.5 5.1=41, 2794/3.0=39...(49) HE2 LYS 16 + HB2 LYS 16 OK 85 100 85 100 3.3-5.5 5.1=41, 2794/3.0=39...(51) HE3 LYS 17 - HB3 LYS 16 far 5 92 5 - 4.9-9.4 HE3 LYS 17 - HB2 LYS 20 far 0 58 0 - 5.9-9.4 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 6.3-8.9 HE3 LYS 17 - HB3 LYS 20 far 0 58 0 - 7.3-10.2 HE3 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.7-11.9 HE3 LYS 115 - HB3 LYS 20 far 0 69 0 - 8.9-18.1 HE3 LYS 16 - HB2 LYS 20 far 0 69 0 - 9.0-11.6 HE2 LYS 16 - HB3 LYS 20 far 0 69 0 - 9.2-12.2 HE2 LYS 115 - HB3 LYS 20 far 0 69 0 - 9.8-18.5 HE2 LYS 16 - HB2 LYS 20 far 0 69 0 - 9.8-11.8 HE3 LYS 115 - HB2 LYS 20 far 0 69 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 15 assignments used, quality = 1.00: * HE3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 3.1-4.9 5.1=41, 2794/3.0=39...(49) HE3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-4.9 5.1=41, 2794/3.0=39...(51) HE2 LYS 16 + HB3 LYS 16 OK 85 100 85 100 2.5-5.5 5.1=41, 2794/3.0=39...(49) HE2 LYS 16 + HB2 LYS 16 OK 85 100 85 100 3.3-5.5 5.1=41, 2794/3.0=39...(51) HE3 LYS 17 - HB3 LYS 16 far 5 92 5 - 4.9-9.4 HE3 LYS 17 - HB2 LYS 20 far 0 58 0 - 5.9-9.4 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 6.3-8.9 HE3 LYS 17 - HB3 LYS 20 far 0 58 0 - 7.3-10.2 HE3 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.7-11.9 HE3 LYS 115 - HB3 LYS 20 far 0 69 0 - 8.9-18.1 HE3 LYS 16 - HB2 LYS 20 far 0 69 0 - 9.0-11.6 HE2 LYS 16 - HB3 LYS 20 far 0 69 0 - 9.2-12.2 HE2 LYS 115 - HB3 LYS 20 far 0 69 0 - 9.8-18.5 HE2 LYS 16 - HB2 LYS 20 far 0 69 0 - 9.8-11.8 HE3 LYS 115 - HB2 LYS 20 far 0 69 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (7.60, 1.63, 25.30 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HG2 LYS 16 OK 100 100 100 100 1.6-3.2 1106=100, 1107/1.8=77...(18) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (1.88, 1.63, 25.30 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 20 - HG2 LYS 16 far 0 92 0 - 7.4-10.0 HB2 LYS 20 - HG2 LYS 16 far 0 92 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (1.88, 1.63, 25.30 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 20 - HG2 LYS 16 far 0 94 0 - 7.4-10.0 HB2 LYS 20 - HG2 LYS 16 far 0 94 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 14 - HG2 LYS 16 far 0 65 0 - 8.2-10.4 HB3 LEU 114 - HG2 LYS 16 far 0 100 0 - 8.5-12.4 QB ALA 113 - HG2 LYS 16 far 0 81 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (1.69, 1.63, 25.30 ppm; 2.62 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 16 + HG2 LYS 16 OK 99 100 100 99 2.4-3.0 2.9=71, 2766/1.8=28...(49) HD3 LYS 16 + HG2 LYS 16 OK 99 100 100 99 2.3-3.0 2.9=71, 2766/1.8=28...(50) HD2 LYS 17 - HG2 LYS 16 far 0 99 0 - 5.0-8.5 HD2 LYS 20 - HG2 LYS 16 far 0 100 0 - 6.4-11.4 HD3 LYS 20 - HG2 LYS 16 far 0 100 0 - 6.7-10.3 Violated in 0 structures by 0.00 A. Peak 2757 from cnoeabs.peaks (1.69, 1.63, 25.30 ppm; 2.62 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 16 + HG2 LYS 16 OK 99 100 100 99 2.3-3.0 2.9=71, 2767/1.8=28...(50) HD2 LYS 16 + HG2 LYS 16 OK 99 100 100 99 2.4-3.0 2.9=71, 2767/1.8=28...(49) HD2 LYS 17 - HG2 LYS 16 far 0 96 0 - 5.0-8.5 HD2 LYS 20 - HG2 LYS 16 far 0 100 0 - 6.4-11.4 HD3 LYS 20 - HG2 LYS 16 far 0 100 0 - 6.7-10.3 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (2.91, 1.63, 25.30 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.1-3.6 3.7=100 * HE2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.2-3.7 3.7=100 HE3 LYS 17 - HG2 LYS 16 far 5 92 5 - 5.1-9.7 Violated in 0 structures by 0.00 A. Peak 2759 from cnoeabs.peaks (2.91, 1.63, 25.30 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.1-3.6 3.7=100 HE2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.2-3.7 3.7=100 HE3 LYS 17 - HG2 LYS 16 far 5 92 5 - 5.1-9.7 Violated in 0 structures by 0.00 A. Peak 2760 from cnoeabs.peaks (7.60, 1.40, 25.30 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HG3 LYS 16 OK 100 100 100 100 1.6-3.4 1107=100, 1106/1.8=97...(19) Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (3.84, 1.40, 25.30 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.8-4.0 2725=100, 2724/1.8=78...(43) Violated in 14 structures by 0.14 A. Peak 2762 from cnoeabs.peaks (1.88, 1.40, 25.30 ppm; 3.27 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 20 - HG3 LYS 16 far 0 92 0 - 7.9-10.1 HB2 LYS 20 - HG3 LYS 16 far 0 92 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 2763 from cnoeabs.peaks (1.88, 1.40, 25.30 ppm; 3.27 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 20 - HG3 LYS 16 far 0 94 0 - 7.9-10.1 HB2 LYS 20 - HG3 LYS 16 far 0 94 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-3.0 2.9=90, 2756/1.8=36...(53) HD3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-3.0 2.9=90, 2756/1.8=36...(54) HD2 LYS 17 - HG3 LYS 16 far 0 99 0 - 5.4-8.5 HD3 LYS 20 - HG3 LYS 16 far 0 100 0 - 6.3-10.0 HD2 LYS 20 - HG3 LYS 16 far 0 100 0 - 7.5-11.3 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (1.69, 1.40, 25.30 ppm; 2.83 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-3.0 2.9=90, 2757/1.8=36...(54) HD2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-3.0 2.9=90, 2757/1.8=36...(53) HD2 LYS 17 - HG3 LYS 16 far 0 96 0 - 5.4-8.5 HD3 LYS 20 - HG3 LYS 16 far 0 100 0 - 6.3-10.0 HD2 LYS 20 - HG3 LYS 16 far 0 100 0 - 7.5-11.3 Violated in 0 structures by 0.00 A. Peak 2768 from cnoeabs.peaks (2.91, 1.40, 25.30 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-4.2 3.7=100 * HE2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.5-4.1 3.7=100 HE3 LYS 17 - HG3 LYS 16 far 0 92 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 2769 from cnoeabs.peaks (2.91, 1.40, 25.30 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.3-4.2 3.7=100 HE2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.5-4.1 3.7=100 HE3 LYS 17 - HG3 LYS 16 far 0 92 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (7.60, 1.69, 29.24 ppm; 4.08 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 16 + HD2 LYS 16 OK 100 100 100 100 2.3-4.3 1106/2.9=80, 1107/2.9=67...(19) H LYS 16 + HD3 LYS 16 OK 99 99 100 100 2.0-4.4 1106/2.9=80, 1107/2.9=67...(20) H ASP 34 - HD3 LYS 40 far 0 76 0 - 8.3-12.2 H ASP 34 - HD2 LYS 40 far 0 78 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (3.84, 1.69, 29.24 ppm; 4.25 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 16 + HD2 LYS 16 OK 100 100 100 100 2.3-4.8 2724/2.9=75, 2761/2.9=72...(47) HA LYS 16 + HD3 LYS 16 OK 99 99 100 100 2.8-5.2 2724/2.9=75, 2761/2.9=72...(47) HA LYS 39 + HD3 LYS 40 OK 48 93 70 74 4.5-7.4 3.6/1256=24, 2043/235=11...(24) HA LYS 39 - HD2 LYS 40 poor 17 95 25 72 4.6-7.9 3.6/1256=24, 2043/235=11...(25) HA LYS 39 - HD2 LYS 44 far 0 52 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 2772 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.80 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 16 + HD2 LYS 16 OK 99 100 100 99 2.3-3.6 3.6=46, 3.0/2756=24...(57) HB3 LYS 16 + HD2 LYS 16 OK 99 100 100 99 2.0-3.6 3.6=46, 3.0/2756=24...(55) HB2 LYS 16 + HD3 LYS 16 OK 98 99 100 99 2.2-4.2 3.6=46, 3.0/2756=24...(57) HB3 LYS 16 + HD3 LYS 16 OK 98 99 100 99 3.2-4.2 3.6=46, 3.0/2756=24...(55) HG LEU 45 - HD2 LYS 44 poor 10 52 20 - 3.7-7.3 HB2 LYS 49 - HD2 LYS 44 far 0 26 0 - 4.9-13.9 QE MET 42 - HD2 LYS 44 far 0 36 0 - 6.0-9.1 QE MET 42 - HD3 LYS 40 far 0 70 0 - 7.3-10.2 HB3 LYS 20 - HD2 LYS 16 far 0 92 0 - 7.6-10.2 HB2 LYS 20 - HD2 LYS 16 far 0 92 0 - 7.7-9.9 QE MET 67 - HD3 LYS 40 far 0 93 0 - 7.8-10.6 HG LEU 45 - HD3 LYS 40 far 0 93 0 - 7.8-10.3 HG LEU 45 - HD2 LYS 40 far 0 95 0 - 7.9-10.7 HB3 LYS 20 - HD3 LYS 16 far 0 90 0 - 8.0-11.1 QE MET 67 - HD2 LYS 40 far 0 95 0 - 8.2-11.9 QE MET 42 - HD2 LYS 40 far 0 72 0 - 8.2-10.0 HB2 LYS 20 - HD3 LYS 16 far 0 90 0 - 8.4-10.7 HB2 LYS 49 - HD2 LYS 40 far 0 54 0 - 8.8-18.3 QE MET 67 - HD2 LYS 44 far 0 52 0 - 8.8-11.1 HB ILE 7 - HD3 LYS 16 far 0 85 0 - 9.4-14.1 HB2 LYS 49 - HD3 LYS 40 far 0 52 0 - 9.5-17.9 Violated in 0 structures by 0.00 A. Peak 2773 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.80 A): 4 out of 21 assignments used, quality = 1.00: HB2 LYS 16 + HD2 LYS 16 OK 99 100 100 99 2.3-3.6 3.6=46, 3.0/2756=24...(57) * HB3 LYS 16 + HD2 LYS 16 OK 99 100 100 99 2.0-3.6 3.6=46, 3.0/2756=24...(55) HB2 LYS 16 + HD3 LYS 16 OK 98 99 100 99 2.2-4.2 3.6=46, 3.0/2756=24...(57) HB3 LYS 16 + HD3 LYS 16 OK 98 99 100 99 3.2-4.2 3.6=46, 3.0/2756=24...(55) HG LEU 45 - HD2 LYS 44 poor 10 52 20 - 3.7-7.3 HB2 LYS 49 - HD2 LYS 44 far 0 28 0 - 4.9-13.9 QE MET 42 - HD2 LYS 44 far 0 34 0 - 6.0-9.1 QE MET 42 - HD3 LYS 40 far 0 67 0 - 7.3-10.2 HB3 LYS 20 - HD2 LYS 16 far 0 94 0 - 7.6-10.2 HB2 LYS 20 - HD2 LYS 16 far 0 94 0 - 7.7-9.9 QE MET 67 - HD3 LYS 40 far 0 93 0 - 7.8-10.6 HG LEU 45 - HD3 LYS 40 far 0 93 0 - 7.8-10.3 HG LEU 45 - HD2 LYS 40 far 0 95 0 - 7.9-10.7 HB3 LYS 20 - HD3 LYS 16 far 0 92 0 - 8.0-11.1 QE MET 67 - HD2 LYS 40 far 0 95 0 - 8.2-11.9 QE MET 42 - HD2 LYS 40 far 0 69 0 - 8.2-10.0 HB2 LYS 20 - HD3 LYS 16 far 0 92 0 - 8.4-10.7 HB2 LYS 49 - HD2 LYS 40 far 0 58 0 - 8.8-18.3 QE MET 67 - HD2 LYS 44 far 0 52 0 - 8.8-11.1 HB ILE 7 - HD3 LYS 16 far 0 88 0 - 9.4-14.1 HB2 LYS 49 - HD3 LYS 40 far 0 56 0 - 9.5-17.9 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (1.63, 1.69, 29.24 ppm; 2.40 A): 4 out of 5 assignments used, quality = 1.00: * HG2 LYS 16 + HD2 LYS 16 OK 97 100 100 97 2.4-3.0 2.9=55, 2757/1.8=27...(47) HG2 LYS 16 + HD3 LYS 16 OK 97 99 100 97 2.3-3.0 2.9=55, 2756/1.8=27...(47) HG3 LYS 40 + HD2 LYS 40 OK 88 90 100 98 2.3-3.0 2.9=55, 3695/1.8=29...(49) HG3 LYS 40 + HD3 LYS 40 OK 86 88 100 98 2.3-3.0 2.9=55, 3694/1.8=29...(50) HG3 LYS 40 - HD2 LYS 44 far 0 48 0 - 4.1-8.8 Violated in 0 structures by 0.00 A. Peak 2775 from cnoeabs.peaks (1.40, 1.69, 29.24 ppm; 2.61 A): 4 out of 8 assignments used, quality = 1.00: * HG3 LYS 16 + HD2 LYS 16 OK 99 100 100 99 2.3-3.0 2.9=70, 1.8/2756=31...(47) HG3 LYS 16 + HD3 LYS 16 OK 98 99 100 99 2.3-3.0 2.9=70, 1.8/2756=31...(48) HG2 LYS 40 + HD2 LYS 40 OK 61 62 100 99 2.3-3.0 2.9=70, 1.8/3694=34...(48) HG2 LYS 40 + HD3 LYS 40 OK 59 60 100 99 2.3-3.0 2.9=70, 1.8/3694=34...(48) HG2 LYS 40 - HD2 LYS 44 far 1 30 5 - 3.5-8.6 HG LEU 14 - HD3 LYS 16 far 0 64 0 - 9.1-11.9 HB3 LEU 114 - HD3 LYS 16 far 0 99 0 - 9.5-13.0 QB ALA 113 - HD3 LYS 16 far 0 79 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2776 from cnoeabs.peaks (1.69, 1.69, 29.24 ppm; diagonal): 5 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): 5 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 8 assignments used, quality = 1.00: HE3 LYS 16 + HD2 LYS 16 OK 97 100 100 97 2.3-3.0 3.0=77, 2794/2.9=23...(30) * HE2 LYS 16 + HD2 LYS 16 OK 97 100 100 97 2.6-3.0 3.0=77, 2794/2.9=23...(30) HE3 LYS 16 + HD3 LYS 16 OK 97 99 100 97 2.6-3.0 3.0=77, 2794/2.9=23...(30) HE2 LYS 16 + HD3 LYS 16 OK 97 99 100 97 2.3-3.0 3.0=77, 2794/2.9=23...(30) HE3 LYS 17 - HD3 LYS 16 far 0 90 0 - 6.9-10.5 HE3 LYS 17 - HD2 LYS 16 far 0 92 0 - 7.7-10.4 HB2 ASP 34 - HD3 LYS 40 far 0 93 0 - 7.9-12.6 HB2 ASP 34 - HD2 LYS 40 far 0 95 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 2.74 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 16 + HD2 LYS 16 OK 97 100 100 97 2.3-3.0 3.0=77, 2794/2.9=23...(30) HE2 LYS 16 + HD2 LYS 16 OK 97 100 100 97 2.6-3.0 3.0=77, 2794/2.9=23...(30) HE3 LYS 16 + HD3 LYS 16 OK 97 99 100 97 2.6-3.0 3.0=77, 2794/2.9=23...(30) HE2 LYS 16 + HD3 LYS 16 OK 97 99 100 97 2.3-3.0 3.0=77, 2794/2.9=23...(30) HE3 LYS 17 - HD3 LYS 16 far 0 90 0 - 6.9-10.5 HE3 LYS 17 - HD2 LYS 16 far 0 92 0 - 7.7-10.4 HB2 ASP 34 - HD3 LYS 40 far 0 93 0 - 7.9-12.6 HB2 ASP 34 - HD2 LYS 40 far 0 95 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 2780 from cnoeabs.peaks (7.60, 1.69, 29.24 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 16 + HD3 LYS 16 OK 100 100 100 100 2.0-4.4 1106/2.9=80, 1107/2.9=68...(21) H LYS 16 + HD2 LYS 16 OK 99 99 100 100 2.3-4.3 1106/2.9=80, 1107/2.9=68...(19) H ASP 34 - HD3 LYS 40 far 0 68 0 - 8.3-12.2 H ASP 34 - HD2 LYS 40 far 0 71 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (3.84, 1.69, 29.24 ppm; 4.15 A): 3 out of 6 assignments used, quality = 1.00: * HA LYS 16 + HD3 LYS 16 OK 100 100 100 100 2.8-5.2 2724/2.9=72, 2761/2.9=69...(47) HA LYS 16 + HD2 LYS 16 OK 99 99 100 100 2.3-4.8 2724/2.9=72, 2761/2.9=69...(47) HA LYS 39 + HD3 LYS 40 OK 42 85 70 71 4.5-7.4 3.6/1255=22, ~3691=10...(24) HA LYS 39 - HD2 LYS 40 poor 15 88 25 70 4.6-7.9 3.6/1255=22, ~3691=10...(24) HA LYS 39 - HD3 LYS 44 far 0 57 0 - 7.2-10.6 HA LYS 39 - HD2 LYS 44 far 0 67 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.77 A): 4 out of 25 assignments used, quality = 1.00: * HB2 LYS 16 + HD3 LYS 16 OK 99 100 100 99 2.2-4.2 3.6=44, 3.0/2757=23...(57) HB3 LYS 16 + HD3 LYS 16 OK 99 100 100 99 3.2-4.2 3.6=44, 3.0/2757=23...(55) HB2 LYS 16 + HD2 LYS 16 OK 98 99 100 99 2.3-3.6 3.6=44, 3.0/2757=23...(57) HB3 LYS 16 + HD2 LYS 16 OK 98 99 100 99 2.0-3.6 3.6=44, 3.0/2757=23...(55) HG LEU 45 - HD2 LYS 44 poor 13 67 20 - 3.7-7.3 HG LEU 45 - HD3 LYS 44 far 3 57 5 - 3.9-8.0 HB2 LYS 49 - HD3 LYS 44 far 1 29 5 - 3.4-14.4 HB2 LYS 49 - HD2 LYS 44 far 0 34 0 - 4.9-13.9 QE MET 42 - HD2 LYS 44 far 0 48 0 - 6.0-9.1 QE MET 42 - HD3 LYS 44 far 0 40 0 - 6.0-9.1 QE MET 42 - HD3 LYS 40 far 0 62 0 - 7.3-10.2 HB3 LYS 20 - HD2 LYS 16 far 0 90 0 - 7.6-10.2 HB2 LYS 20 - HD2 LYS 16 far 0 90 0 - 7.7-9.9 QE MET 67 - HD3 LYS 44 far 0 58 0 - 7.8-11.9 QE MET 67 - HD3 LYS 40 far 0 85 0 - 7.8-10.6 HG LEU 45 - HD3 LYS 40 far 0 85 0 - 7.8-10.3 HG LEU 45 - HD2 LYS 40 far 0 88 0 - 7.9-10.7 HB3 LYS 20 - HD3 LYS 16 far 0 92 0 - 8.0-11.1 QE MET 67 - HD2 LYS 40 far 0 89 0 - 8.2-11.9 QE MET 42 - HD2 LYS 40 far 0 65 0 - 8.2-10.0 HB2 LYS 20 - HD3 LYS 16 far 0 92 0 - 8.4-10.7 HB2 LYS 49 - HD2 LYS 40 far 0 48 0 - 8.8-18.3 QE MET 67 - HD2 LYS 44 far 0 68 0 - 8.8-11.1 HB ILE 7 - HD3 LYS 16 far 0 87 0 - 9.4-14.1 HB2 LYS 49 - HD3 LYS 40 far 0 46 0 - 9.5-17.9 Violated in 0 structures by 0.00 A. Peak 2783 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.77 A): 4 out of 25 assignments used, quality = 1.00: HB2 LYS 16 + HD3 LYS 16 OK 99 100 100 99 2.2-4.2 3.6=44, 3.0/2757=23...(57) * HB3 LYS 16 + HD3 LYS 16 OK 99 100 100 99 3.2-4.2 3.6=44, 3.0/2757=23...(55) HB2 LYS 16 + HD2 LYS 16 OK 98 99 100 99 2.3-3.6 3.6=44, 3.0/2757=23...(57) HB3 LYS 16 + HD2 LYS 16 OK 98 99 100 99 2.0-3.6 3.6=44, 3.0/2757=23...(55) HG LEU 45 - HD2 LYS 44 poor 14 68 20 - 3.7-7.3 HG LEU 45 - HD3 LYS 44 far 3 58 5 - 3.9-8.0 HB2 LYS 49 - HD3 LYS 44 far 2 31 5 - 3.4-14.4 HB2 LYS 49 - HD2 LYS 44 far 0 37 0 - 4.9-13.9 QE MET 42 - HD2 LYS 44 far 0 45 0 - 6.0-9.1 QE MET 42 - HD3 LYS 44 far 0 38 0 - 6.0-9.1 QE MET 42 - HD3 LYS 40 far 0 59 0 - 7.3-10.2 HB3 LYS 20 - HD2 LYS 16 far 0 92 0 - 7.6-10.2 HB2 LYS 20 - HD2 LYS 16 far 0 92 0 - 7.7-9.9 QE MET 67 - HD3 LYS 44 far 0 58 0 - 7.8-11.9 QE MET 67 - HD3 LYS 40 far 0 85 0 - 7.8-10.6 HG LEU 45 - HD3 LYS 40 far 0 85 0 - 7.8-10.3 HG LEU 45 - HD2 LYS 40 far 0 88 0 - 7.9-10.7 HB3 LYS 20 - HD3 LYS 16 far 0 94 0 - 8.0-11.1 QE MET 67 - HD2 LYS 40 far 0 88 0 - 8.2-11.9 QE MET 42 - HD2 LYS 40 far 0 62 0 - 8.2-10.0 HB2 LYS 20 - HD3 LYS 16 far 0 94 0 - 8.4-10.7 HB2 LYS 49 - HD2 LYS 40 far 0 52 0 - 8.8-18.3 QE MET 67 - HD2 LYS 44 far 0 68 0 - 8.8-11.1 HB ILE 7 - HD3 LYS 16 far 0 90 0 - 9.4-14.1 HB2 LYS 49 - HD3 LYS 40 far 0 49 0 - 9.5-17.9 Violated in 0 structures by 0.00 A. Peak 2784 from cnoeabs.peaks (1.63, 1.69, 29.24 ppm; 2.40 A): 4 out of 6 assignments used, quality = 1.00: * HG2 LYS 16 + HD3 LYS 16 OK 97 100 100 97 2.3-3.0 2.9=55, 2756/1.8=27...(47) HG2 LYS 16 + HD2 LYS 16 OK 97 99 100 97 2.4-3.0 2.9=55, 2757/1.8=27...(47) HG3 LYS 40 + HD2 LYS 40 OK 81 83 100 98 2.3-3.0 2.9=55, 3695/1.8=29...(49) HG3 LYS 40 + HD3 LYS 40 OK 78 80 100 98 2.3-3.0 2.9=55, 3694/1.8=29...(49) HG3 LYS 40 - HD2 LYS 44 far 0 62 0 - 4.1-8.8 HG3 LYS 40 - HD3 LYS 44 far 0 53 0 - 4.5-8.8 Violated in 0 structures by 0.00 A. Peak 2785 from cnoeabs.peaks (1.40, 1.69, 29.24 ppm; 2.54 A): 4 out of 9 assignments used, quality = 1.00: * HG3 LYS 16 + HD3 LYS 16 OK 98 100 100 98 2.3-3.0 2.9=65, 1.8/2757=30...(47) HG3 LYS 16 + HD2 LYS 16 OK 98 99 100 98 2.3-3.0 2.9=65, 1.8/2757=30...(47) HG2 LYS 40 + HD2 LYS 40 OK 55 55 100 99 2.3-3.0 2.9=65, 1.8/3694=32...(48) HG2 LYS 40 + HD3 LYS 40 OK 52 53 100 99 2.3-3.0 2.9=65, 1.8/3694=32...(48) HG2 LYS 40 - HD3 LYS 44 far 5 33 15 - 3.8-8.1 HG2 LYS 40 - HD2 LYS 44 far 2 40 5 - 3.5-8.6 HG LEU 14 - HD3 LYS 16 far 0 65 0 - 9.1-11.9 HB3 LEU 114 - HD3 LYS 16 far 0 100 0 - 9.5-13.0 QB ALA 113 - HD3 LYS 16 far 0 81 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2786 from cnoeabs.peaks (1.69, 1.69, 29.24 ppm; diagonal): 6 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): 6 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 8 assignments used, quality = 1.00: HE3 LYS 16 + HD3 LYS 16 OK 98 100 100 98 2.6-3.0 3.0=81, 2794/2.9=23...(30) * HE2 LYS 16 + HD3 LYS 16 OK 98 100 100 98 2.3-3.0 3.0=81, 2794/2.9=23...(30) HE3 LYS 16 + HD2 LYS 16 OK 97 99 100 98 2.3-3.0 3.0=81, 2794/2.9=23...(30) HE2 LYS 16 + HD2 LYS 16 OK 97 99 100 98 2.6-3.0 3.0=81, 2794/2.9=23...(30) HE3 LYS 17 - HD3 LYS 16 far 0 92 0 - 6.9-10.5 HE3 LYS 17 - HD2 LYS 16 far 0 90 0 - 7.7-10.4 HB2 ASP 34 - HD3 LYS 40 far 0 85 0 - 7.9-12.6 HB2 ASP 34 - HD2 LYS 40 far 0 88 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 2.79 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 16 + HD3 LYS 16 OK 98 100 100 98 2.6-3.0 3.0=81, 2794/2.9=23...(30) HE2 LYS 16 + HD3 LYS 16 OK 98 100 100 98 2.3-3.0 3.0=81, 2794/2.9=23...(30) HE3 LYS 16 + HD2 LYS 16 OK 97 99 100 98 2.3-3.0 3.0=81, 2794/2.9=23...(30) HE2 LYS 16 + HD2 LYS 16 OK 97 99 100 98 2.6-3.0 3.0=81, 2794/2.9=23...(30) HE3 LYS 17 - HD3 LYS 16 far 0 92 0 - 6.9-10.5 HE3 LYS 17 - HD2 LYS 16 far 0 90 0 - 7.7-10.4 HB2 ASP 34 - HD3 LYS 40 far 0 85 0 - 7.9-12.6 HB2 ASP 34 - HD2 LYS 40 far 0 88 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 2791 from cnoeabs.peaks (3.84, 2.91, 41.78 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 16 + HE3 LYS 16 OK 100 100 100 100 3.6-6.1 2724/3.7=97, 2761/3.7=96...(38) * HA LYS 16 + HE2 LYS 16 OK 100 100 100 100 4.0-5.9 2724/3.7=97, 2761/3.7=96...(38) HA LYS 16 - HE3 LYS 17 far 4 83 5 - 6.8-9.3 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 32 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 100 100 100 100 2.5-4.9 3.0/2804=36, 5.1=35...(51) HB3 LYS 16 + HE3 LYS 16 OK 100 100 100 100 3.1-4.9 3.0/2794=36, 5.1=35...(49) * HB2 LYS 16 + HE2 LYS 16 OK 80 100 80 100 3.3-5.5 3.0/2804=36, 5.1=35...(51) HB3 LYS 16 + HE2 LYS 16 OK 75 100 75 100 2.5-5.5 3.0/2794=36, 5.1=35...(49) HB3 ARG 118 - HE2 LYS 115 far 14 94 15 - 4.4-9.0 HB3 ARG 118 - HE3 LYS 115 far 9 94 10 - 4.2-8.7 HB3 LYS 16 - HE3 LYS 17 far 4 83 5 - 4.9-9.4 HG2 ARG 95 - HE3 LYS 94 lone 3 92 25 12 3.7-9.2 10097/6.9=11 HB2 ARG 95 - HE3 LYS 94 far 0 60 0 - 5.3-9.0 HB2 LYS 20 - HE3 LYS 17 far 0 71 0 - 5.9-9.4 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.3-8.9 HB3 LYS 20 - HE3 LYS 17 far 0 71 0 - 7.3-10.2 HB2 LEU 63 - HE3 LYS 65 far 0 87 0 - 7.5-11.0 HB2 ARG 95 - HE2 LYS 65 far 0 62 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 62 0 - 7.8-15.4 QE MET 67 - HE2 LYS 65 far 0 96 0 - 7.9-10.1 QE MET 67 - HE3 LYS 65 far 0 96 0 - 8.0-10.5 HG2 ARG 95 - HE3 LYS 65 far 0 94 0 - 8.0-16.5 HB2 LEU 63 - HE2 LYS 65 far 0 87 0 - 8.0-10.8 HB ILE 71 - HE2 LYS 65 far 0 66 0 - 8.4-14.7 HB3 LYS 20 - HE3 LYS 16 far 0 92 0 - 8.7-11.9 HB ILE 71 - HE3 LYS 65 far 0 66 0 - 8.9-14.5 HB3 LYS 20 - HE3 LYS 115 far 0 92 0 - 8.9-18.1 HG2 ARG 95 - HE2 LYS 65 far 0 94 0 - 9.0-16.5 HB2 LYS 20 - HE3 LYS 16 far 0 92 0 - 9.0-11.6 QE MET 42 - HE2 LYS 65 far 0 73 0 - 9.1-13.2 HB3 LYS 20 - HE2 LYS 16 far 0 92 0 - 9.2-12.2 QE MET 42 - HE3 LYS 65 far 0 73 0 - 9.8-13.4 HB3 LYS 20 - HE2 LYS 115 far 0 92 0 - 9.8-18.5 HB2 LYS 20 - HE2 LYS 16 far 0 92 0 - 9.8-11.8 HB2 LYS 20 - HE3 LYS 115 far 0 92 0 - 9.8-19.3 HB3 ARG 118 - HE3 LYS 17 far 0 73 0 - 10.0-13.5 Violated in 7 structures by 0.04 A. Peak 2793 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 32 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 100 100 100 100 2.5-4.9 3.0/2804=36, 5.1=35...(51) HB3 LYS 16 + HE3 LYS 16 OK 100 100 100 100 3.1-4.9 3.0/2794=36, 5.1=35...(49) HB2 LYS 16 + HE2 LYS 16 OK 80 100 80 100 3.3-5.5 3.0/2794=36, 5.1=35...(51) * HB3 LYS 16 + HE2 LYS 16 OK 75 100 75 100 2.5-5.5 3.0/2794=36, 5.1=35...(49) HB3 ARG 118 - HE2 LYS 115 far 14 92 15 - 4.4-9.0 HB3 ARG 118 - HE3 LYS 115 far 9 92 10 - 4.2-8.7 HB3 LYS 16 - HE3 LYS 17 far 4 83 5 - 4.9-9.4 HG2 ARG 95 - HE3 LYS 94 lone 3 91 25 11 3.7-9.2 10097/6.9=11 HB2 ARG 95 - HE3 LYS 94 far 0 63 0 - 5.3-9.0 HB2 LYS 20 - HE3 LYS 17 far 0 73 0 - 5.9-9.4 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.3-8.9 HB3 LYS 20 - HE3 LYS 17 far 0 73 0 - 7.3-10.2 HB2 LEU 63 - HE3 LYS 65 far 0 84 0 - 7.5-11.0 HB2 ARG 95 - HE2 LYS 65 far 0 66 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 66 0 - 7.8-15.4 QE MET 67 - HE2 LYS 65 far 0 96 0 - 7.9-10.1 QE MET 67 - HE3 LYS 65 far 0 96 0 - 8.0-10.5 HG2 ARG 95 - HE3 LYS 65 far 0 93 0 - 8.0-16.5 HB2 LEU 63 - HE2 LYS 65 far 0 84 0 - 8.0-10.8 HB ILE 71 - HE2 LYS 65 far 0 70 0 - 8.4-14.7 HB3 LYS 20 - HE3 LYS 16 far 0 94 0 - 8.7-11.9 HB ILE 71 - HE3 LYS 65 far 0 70 0 - 8.9-14.5 HB3 LYS 20 - HE3 LYS 115 far 0 94 0 - 8.9-18.1 HG2 ARG 95 - HE2 LYS 65 far 0 93 0 - 9.0-16.5 HB2 LYS 20 - HE3 LYS 16 far 0 94 0 - 9.0-11.6 QE MET 42 - HE2 LYS 65 far 0 70 0 - 9.1-13.2 HB3 LYS 20 - HE2 LYS 16 far 0 94 0 - 9.2-12.2 QE MET 42 - HE3 LYS 65 far 0 70 0 - 9.8-13.4 HB3 LYS 20 - HE2 LYS 115 far 0 94 0 - 9.8-18.5 HB2 LYS 20 - HE2 LYS 16 far 0 94 0 - 9.8-11.8 HB2 LYS 20 - HE3 LYS 115 far 0 94 0 - 9.8-19.3 HB3 ARG 118 - HE3 LYS 17 far 0 71 0 - 10.0-13.5 Violated in 7 structures by 0.04 A. Peak 2794 from cnoeabs.peaks (1.63, 2.91, 41.78 ppm; 2.63 A): 2 out of 16 assignments used, quality = 1.00: * HG2 LYS 16 + HE2 LYS 16 OK 94 100 100 94 2.2-3.7 3.7=37, 1.8/2805=23...(34) HG2 LYS 16 + HE3 LYS 16 OK 94 100 100 94 2.1-3.6 3.7=37, 1.8/2795=23...(34) HG LEU 90 - HE3 LYS 94 far 4 76 5 - 4.0-9.5 HB ILE 116 - HE3 LYS 115 far 0 100 0 - 4.2-9.6 HB2 LEU 82 - HE3 LYS 94 far 0 89 0 - 4.3-11.5 HB3 LEU 64 - HE3 LYS 65 far 0 95 0 - 4.5-9.5 HB ILE 116 - HE2 LYS 115 far 0 100 0 - 4.6-9.5 HG2 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.1-9.7 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 5.5-9.8 HB3 LEU 64 - HE2 LYS 65 far 0 95 0 - 6.1-9.3 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 6.5-10.4 HG LEU 63 - HE3 LYS 65 far 0 90 0 - 7.4-12.2 HG LEU 63 - HE2 LYS 65 far 0 90 0 - 7.7-12.1 HB2 LEU 82 - HE3 LYS 65 far 0 92 0 - 9.6-16.0 HB ILE 116 - HE3 LYS 94 far 0 92 0 - 9.9-14.9 HB2 LEU 82 - HE2 LYS 65 far 0 92 0 - 9.9-16.4 Violated in 10 structures by 0.02 A. Peak 2795 from cnoeabs.peaks (1.40, 2.91, 41.78 ppm; 3.23 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 16 + HE2 LYS 16 OK 100 100 100 100 2.5-4.1 3.7=68, 1.8/2794=43...(41) HG3 LYS 16 + HE3 LYS 16 OK 100 100 100 100 2.3-4.2 3.7=68, 1.8/2804=43...(41) HB3 LEU 114 - HE2 LYS 115 far 10 100 10 - 4.4-10.4 HB3 LEU 114 - HE3 LYS 115 far 5 100 5 - 4.5-10.5 HB3 LEU 114 - HE3 LYS 17 far 4 83 5 - 4.4-7.6 HB3 LEU 68 - HE2 LYS 65 far 3 70 5 - 4.3-9.6 HB3 LEU 68 - HE3 LYS 65 far 3 70 5 - 4.7-9.1 HG3 LYS 106 - HE3 LYS 94 lone 3 89 75 4 2.1-7.5 HG LEU 14 - HE3 LYS 17 far 0 47 0 - 5.2-9.4 QB ALA 113 - HE3 LYS 17 far 0 60 0 - 6.0-8.3 QB ALA 113 - HE2 LYS 115 far 0 80 0 - 6.2-8.9 HG3 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.3-9.4 QB ALA 113 - HE3 LYS 115 far 0 80 0 - 6.8-9.1 QB ALA 113 - HE3 LYS 94 far 0 70 0 - 9.3-13.3 HG LEU 14 - HE2 LYS 16 far 0 65 0 - 9.9-12.6 Violated in 3 structures by 0.01 A. Peak 2796 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 31 assignments used, quality = 1.00: HD2 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.3-3.0 3.0=63, 2.9/2795=16...(27) * HD2 LYS 16 + HE2 LYS 16 OK 93 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD3 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD3 LYS 16 + HE2 LYS 16 OK 92 100 100 93 2.3-3.0 3.0=63, 2.9/2805=16...(27) HD2 LYS 17 + HE3 LYS 17 OK 69 80 100 87 2.3-3.0 2.9=66, 2864/3.8=26...(7) HG3 ARG 95 - HE3 LYS 94 far 12 82 15 - 3.5-10.1 HD3 LYS 96 - HE3 LYS 65 far 0 95 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 93 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 93 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 95 0 - 5.5-11.2 HD2 LYS 17 - HE2 LYS 16 far 0 99 0 - 6.1-11.1 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.1-12.0 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 6.4-12.4 HD3 LYS 16 - HE3 LYS 17 far 0 82 0 - 6.9-10.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.9-13.4 HD2 LYS 17 - HE3 LYS 16 far 0 99 0 - 7.3-10.9 HD3 LYS 20 - HE3 LYS 17 far 0 83 0 - 7.5-9.5 HD2 LYS 20 - HE3 LYS 17 far 0 82 0 - 7.6-10.2 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.7-13.8 HG3 ARG 95 - HE2 LYS 65 far 0 84 0 - 7.7-17.7 HD2 LYS 16 - HE3 LYS 17 far 0 83 0 - 7.7-10.4 HD2 LYS 96 - HE3 LYS 94 far 0 91 0 - 7.9-11.3 HD2 LYS 17 - HE2 LYS 115 far 0 99 0 - 8.0-14.6 HG3 ARG 95 - HE3 LYS 65 far 0 84 0 - 8.3-17.4 HG12 ILE 71 - HE2 LYS 65 far 0 89 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 92 0 - 8.5-10.9 HD3 LYS 39 - HE2 LYS 65 far 0 55 0 - 8.8-19.6 HD3 LYS 20 - HE3 LYS 115 far 0 100 0 - 9.1-20.1 HD2 LYS 17 - HE3 LYS 115 far 0 99 0 - 9.2-14.7 HG12 ILE 71 - HE3 LYS 65 far 0 89 0 - 9.3-12.9 HD3 LYS 39 - HE3 LYS 65 far 0 55 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 2797 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 32 assignments used, quality = 1.00: HD3 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) * HD3 LYS 16 + HE2 LYS 16 OK 93 100 100 93 2.3-3.0 3.0=63, 2.9/2805=16...(27) HD2 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.3-3.0 3.0=63, 2.9/2795=16...(27) HD2 LYS 16 + HE2 LYS 16 OK 92 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD2 LYS 17 + HE3 LYS 17 OK 65 75 100 87 2.3-3.0 2.9=66, 2864/3.8=25...(7) HG3 ARG 95 - HE3 LYS 94 far 11 73 15 - 3.5-10.1 HD3 LYS 96 - HE3 LYS 65 far 0 92 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 89 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 89 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 92 0 - 5.5-11.2 HD2 LYS 17 - HE2 LYS 16 far 0 96 0 - 6.1-11.1 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.1-12.0 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 6.4-12.4 HD3 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.9-10.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.9-13.4 HD2 LYS 17 - HE3 LYS 16 far 0 96 0 - 7.3-10.9 HD3 LYS 20 - HE3 LYS 17 far 0 82 0 - 7.5-9.5 HD2 LYS 20 - HE3 LYS 17 far 0 83 0 - 7.6-10.2 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.7-13.8 HG3 ARG 95 - HE2 LYS 65 far 0 76 0 - 7.7-17.7 HD2 LYS 16 - HE3 LYS 17 far 0 82 0 - 7.7-10.4 HD2 LYS 96 - HE3 LYS 94 far 0 86 0 - 7.9-11.3 HD2 LYS 17 - HE2 LYS 115 far 0 95 0 - 8.0-14.6 HG3 ARG 95 - HE3 LYS 65 far 0 76 0 - 8.3-17.4 HG12 ILE 71 - HE2 LYS 65 far 0 93 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 89 0 - 8.5-10.9 HD3 LYS 39 - HE2 LYS 65 far 0 66 0 - 8.8-19.6 HD3 LYS 20 - HE3 LYS 115 far 0 100 0 - 9.1-20.1 HD2 LYS 17 - HE3 LYS 115 far 0 95 0 - 9.2-14.7 HG12 ILE 71 - HE3 LYS 65 far 0 93 0 - 9.3-12.9 HD2 LYS 39 - HE2 LYS 65 far 0 62 0 - 9.4-19.8 HD3 LYS 39 - HE3 LYS 65 far 0 66 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LYS 16 + HE3 LYS 16 OK 100 100 100 100 3.6-6.1 2724/3.7=97, 2761/3.7=96...(38) HA LYS 16 + HE2 LYS 16 OK 100 100 100 100 4.0-5.9 2724/3.7=97, 2761/3.7=96...(38) HA LYS 16 - HE3 LYS 17 far 4 83 5 - 6.8-9.3 Violated in 0 structures by 0.00 A. Peak 2802 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 32 assignments used, quality = 1.00: * HB2 LYS 16 + HE3 LYS 16 OK 100 100 100 100 2.5-4.9 3.0/2804=36, 5.1=35...(51) HB3 LYS 16 + HE3 LYS 16 OK 100 100 100 100 3.1-4.9 3.0/2794=36, 5.1=35...(49) HB2 LYS 16 + HE2 LYS 16 OK 80 100 80 100 3.3-5.5 3.0/2804=36, 5.1=35...(51) HB3 LYS 16 + HE2 LYS 16 OK 75 100 75 100 2.5-5.5 3.0/2794=36, 5.1=35...(49) HB3 ARG 118 - HE2 LYS 115 far 14 94 15 - 4.4-9.0 HB3 ARG 118 - HE3 LYS 115 far 9 94 10 - 4.2-8.7 HB3 LYS 16 - HE3 LYS 17 far 4 83 5 - 4.9-9.4 HG2 ARG 95 - HE3 LYS 94 lone 3 92 25 12 3.7-9.2 10097/6.9=11 HB2 ARG 95 - HE3 LYS 94 far 0 60 0 - 5.3-9.0 HB2 LYS 20 - HE3 LYS 17 far 0 71 0 - 5.9-9.4 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.3-8.9 HB3 LYS 20 - HE3 LYS 17 far 0 71 0 - 7.3-10.2 HB2 LEU 63 - HE3 LYS 65 far 0 87 0 - 7.5-11.0 HB2 ARG 95 - HE2 LYS 65 far 0 62 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 62 0 - 7.8-15.4 QE MET 67 - HE2 LYS 65 far 0 96 0 - 7.9-10.1 QE MET 67 - HE3 LYS 65 far 0 96 0 - 8.0-10.5 HG2 ARG 95 - HE3 LYS 65 far 0 94 0 - 8.0-16.5 HB2 LEU 63 - HE2 LYS 65 far 0 87 0 - 8.0-10.8 HB ILE 71 - HE2 LYS 65 far 0 66 0 - 8.4-14.7 HB3 LYS 20 - HE3 LYS 16 far 0 92 0 - 8.7-11.9 HB ILE 71 - HE3 LYS 65 far 0 66 0 - 8.9-14.5 HB3 LYS 20 - HE3 LYS 115 far 0 92 0 - 8.9-18.1 HG2 ARG 95 - HE2 LYS 65 far 0 94 0 - 9.0-16.5 HB2 LYS 20 - HE3 LYS 16 far 0 92 0 - 9.0-11.6 QE MET 42 - HE2 LYS 65 far 0 73 0 - 9.1-13.2 HB3 LYS 20 - HE2 LYS 16 far 0 92 0 - 9.2-12.2 QE MET 42 - HE3 LYS 65 far 0 73 0 - 9.8-13.4 HB3 LYS 20 - HE2 LYS 115 far 0 92 0 - 9.8-18.5 HB2 LYS 20 - HE2 LYS 16 far 0 92 0 - 9.8-11.8 HB2 LYS 20 - HE3 LYS 115 far 0 92 0 - 9.8-19.3 HB3 ARG 118 - HE3 LYS 17 far 0 73 0 - 10.0-13.5 Violated in 7 structures by 0.04 A. Peak 2803 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 32 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 100 100 100 100 2.5-4.9 3.0/2804=36, 5.1=35...(51) * HB3 LYS 16 + HE3 LYS 16 OK 100 100 100 100 3.1-4.9 3.0/2794=36, 5.1=35...(49) HB2 LYS 16 + HE2 LYS 16 OK 80 100 80 100 3.3-5.5 3.0/2794=36, 5.1=35...(51) HB3 LYS 16 + HE2 LYS 16 OK 75 100 75 100 2.5-5.5 3.0/2794=36, 5.1=35...(49) HB3 ARG 118 - HE2 LYS 115 far 14 92 15 - 4.4-9.0 HB3 ARG 118 - HE3 LYS 115 far 9 92 10 - 4.2-8.7 HB3 LYS 16 - HE3 LYS 17 far 4 83 5 - 4.9-9.4 HG2 ARG 95 - HE3 LYS 94 lone 3 91 25 11 3.7-9.2 10097/6.9=11 HB2 ARG 95 - HE3 LYS 94 far 0 63 0 - 5.3-9.0 HB2 LYS 20 - HE3 LYS 17 far 0 73 0 - 5.9-9.4 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.3-8.9 HB3 LYS 20 - HE3 LYS 17 far 0 73 0 - 7.3-10.2 HB2 LEU 63 - HE3 LYS 65 far 0 84 0 - 7.5-11.0 HB2 ARG 95 - HE2 LYS 65 far 0 66 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 66 0 - 7.8-15.4 QE MET 67 - HE2 LYS 65 far 0 96 0 - 7.9-10.1 QE MET 67 - HE3 LYS 65 far 0 96 0 - 8.0-10.5 HG2 ARG 95 - HE3 LYS 65 far 0 93 0 - 8.0-16.5 HB2 LEU 63 - HE2 LYS 65 far 0 84 0 - 8.0-10.8 HB ILE 71 - HE2 LYS 65 far 0 70 0 - 8.4-14.7 HB3 LYS 20 - HE3 LYS 16 far 0 94 0 - 8.7-11.9 HB ILE 71 - HE3 LYS 65 far 0 70 0 - 8.9-14.5 HB3 LYS 20 - HE3 LYS 115 far 0 94 0 - 8.9-18.1 HG2 ARG 95 - HE2 LYS 65 far 0 93 0 - 9.0-16.5 HB2 LYS 20 - HE3 LYS 16 far 0 94 0 - 9.0-11.6 QE MET 42 - HE2 LYS 65 far 0 70 0 - 9.1-13.2 HB3 LYS 20 - HE2 LYS 16 far 0 94 0 - 9.2-12.2 QE MET 42 - HE3 LYS 65 far 0 70 0 - 9.8-13.4 HB3 LYS 20 - HE2 LYS 115 far 0 94 0 - 9.8-18.5 HB2 LYS 20 - HE2 LYS 16 far 0 94 0 - 9.8-11.8 HB2 LYS 20 - HE3 LYS 115 far 0 94 0 - 9.8-19.3 HB3 ARG 118 - HE3 LYS 17 far 0 71 0 - 10.0-13.5 Violated in 7 structures by 0.04 A. Peak 2804 from cnoeabs.peaks (1.63, 2.91, 41.78 ppm; 2.63 A): 2 out of 16 assignments used, quality = 1.00: HG2 LYS 16 + HE2 LYS 16 OK 94 100 100 94 2.2-3.7 3.7=37, 1.8/2805=23...(34) * HG2 LYS 16 + HE3 LYS 16 OK 94 100 100 94 2.1-3.6 3.7=37, 1.8/2795=23...(34) HG LEU 90 - HE3 LYS 94 far 4 76 5 - 4.0-9.5 HB ILE 116 - HE3 LYS 115 far 0 100 0 - 4.2-9.6 HB2 LEU 82 - HE3 LYS 94 far 0 89 0 - 4.3-11.5 HB3 LEU 64 - HE3 LYS 65 far 0 95 0 - 4.5-9.5 HB ILE 116 - HE2 LYS 115 far 0 100 0 - 4.6-9.5 HG2 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.1-9.7 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 5.5-9.8 HB3 LEU 64 - HE2 LYS 65 far 0 95 0 - 6.1-9.3 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 6.5-10.4 HG LEU 63 - HE3 LYS 65 far 0 90 0 - 7.4-12.2 HG LEU 63 - HE2 LYS 65 far 0 90 0 - 7.7-12.1 HB2 LEU 82 - HE3 LYS 65 far 0 92 0 - 9.6-16.0 HB ILE 116 - HE3 LYS 94 far 0 92 0 - 9.9-14.9 HB2 LEU 82 - HE2 LYS 65 far 0 92 0 - 9.9-16.4 Violated in 10 structures by 0.02 A. Peak 2805 from cnoeabs.peaks (1.40, 2.91, 41.78 ppm; 3.23 A): 2 out of 15 assignments used, quality = 1.00: HG3 LYS 16 + HE2 LYS 16 OK 100 100 100 100 2.5-4.1 3.7=68, 1.8/2794=43...(41) * HG3 LYS 16 + HE3 LYS 16 OK 100 100 100 100 2.3-4.2 3.7=68, 1.8/2804=43...(41) HB3 LEU 114 - HE2 LYS 115 far 10 100 10 - 4.4-10.4 HB3 LEU 114 - HE3 LYS 115 far 5 100 5 - 4.5-10.5 HB3 LEU 114 - HE3 LYS 17 far 4 83 5 - 4.4-7.6 HB3 LEU 68 - HE2 LYS 65 far 3 70 5 - 4.3-9.6 HB3 LEU 68 - HE3 LYS 65 far 3 70 5 - 4.7-9.1 HG3 LYS 106 - HE3 LYS 94 lone 3 89 75 4 2.1-7.5 HG LEU 14 - HE3 LYS 17 far 0 47 0 - 5.2-9.4 QB ALA 113 - HE3 LYS 17 far 0 60 0 - 6.0-8.3 QB ALA 113 - HE2 LYS 115 far 0 80 0 - 6.2-8.9 HG3 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.3-9.4 QB ALA 113 - HE3 LYS 115 far 0 80 0 - 6.8-9.1 QB ALA 113 - HE3 LYS 94 far 0 70 0 - 9.3-13.3 HG LEU 14 - HE2 LYS 16 far 0 65 0 - 9.9-12.6 Violated in 3 structures by 0.01 A. Peak 2806 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 31 assignments used, quality = 1.00: * HD2 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.3-3.0 3.0=63, 2.9/2795=16...(27) HD2 LYS 16 + HE2 LYS 16 OK 93 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD3 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD3 LYS 16 + HE2 LYS 16 OK 92 100 100 93 2.3-3.0 3.0=63, 2.9/2805=16...(27) HD2 LYS 17 + HE3 LYS 17 OK 69 80 100 87 2.3-3.0 2.9=66, 2864/3.8=26...(7) HG3 ARG 95 - HE3 LYS 94 far 12 82 15 - 3.5-10.1 HD3 LYS 96 - HE3 LYS 65 far 0 95 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 93 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 93 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 95 0 - 5.5-11.2 HD2 LYS 17 - HE2 LYS 16 far 0 99 0 - 6.1-11.1 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.1-12.0 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 6.4-12.4 HD3 LYS 16 - HE3 LYS 17 far 0 82 0 - 6.9-10.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.9-13.4 HD2 LYS 17 - HE3 LYS 16 far 0 99 0 - 7.3-10.9 HD3 LYS 20 - HE3 LYS 17 far 0 83 0 - 7.5-9.5 HD2 LYS 20 - HE3 LYS 17 far 0 82 0 - 7.6-10.2 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.7-13.8 HG3 ARG 95 - HE2 LYS 65 far 0 84 0 - 7.7-17.7 HD2 LYS 16 - HE3 LYS 17 far 0 83 0 - 7.7-10.4 HD2 LYS 96 - HE3 LYS 94 far 0 91 0 - 7.9-11.3 HD2 LYS 17 - HE2 LYS 115 far 0 99 0 - 8.0-14.6 HG3 ARG 95 - HE3 LYS 65 far 0 84 0 - 8.3-17.4 HG12 ILE 71 - HE2 LYS 65 far 0 89 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 92 0 - 8.5-10.9 HD3 LYS 39 - HE2 LYS 65 far 0 55 0 - 8.8-19.6 HD3 LYS 20 - HE3 LYS 115 far 0 100 0 - 9.1-20.1 HD2 LYS 17 - HE3 LYS 115 far 0 99 0 - 9.2-14.7 HG12 ILE 71 - HE3 LYS 65 far 0 89 0 - 9.3-12.9 HD3 LYS 39 - HE3 LYS 65 far 0 55 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 32 assignments used, quality = 1.00: * HD3 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD3 LYS 16 + HE2 LYS 16 OK 93 100 100 93 2.3-3.0 3.0=63, 2.9/2805=16...(27) HD2 LYS 16 + HE3 LYS 16 OK 93 100 100 93 2.3-3.0 3.0=63, 2.9/2795=16...(27) HD2 LYS 16 + HE2 LYS 16 OK 92 100 100 93 2.6-3.0 3.0=63, 2.9/2795=16...(27) HD2 LYS 17 + HE3 LYS 17 OK 65 75 100 87 2.3-3.0 2.9=66, 2864/3.8=25...(7) HG3 ARG 95 - HE3 LYS 94 far 11 73 15 - 3.5-10.1 HD3 LYS 96 - HE3 LYS 65 far 0 92 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 89 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 89 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 92 0 - 5.5-11.2 HD2 LYS 17 - HE2 LYS 16 far 0 96 0 - 6.1-11.1 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.1-12.0 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 6.4-12.4 HD3 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.9-10.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.9-13.4 HD2 LYS 17 - HE3 LYS 16 far 0 96 0 - 7.3-10.9 HD3 LYS 20 - HE3 LYS 17 far 0 82 0 - 7.5-9.5 HD2 LYS 20 - HE3 LYS 17 far 0 83 0 - 7.6-10.2 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.7-13.8 HG3 ARG 95 - HE2 LYS 65 far 0 76 0 - 7.7-17.7 HD2 LYS 16 - HE3 LYS 17 far 0 82 0 - 7.7-10.4 HD2 LYS 96 - HE3 LYS 94 far 0 86 0 - 7.9-11.3 HD2 LYS 17 - HE2 LYS 115 far 0 95 0 - 8.0-14.6 HG3 ARG 95 - HE3 LYS 65 far 0 76 0 - 8.3-17.4 HG12 ILE 71 - HE2 LYS 65 far 0 93 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 89 0 - 8.5-10.9 HD3 LYS 39 - HE2 LYS 65 far 0 66 0 - 8.8-19.6 HD3 LYS 20 - HE3 LYS 115 far 0 100 0 - 9.1-20.1 HD2 LYS 17 - HE3 LYS 115 far 0 95 0 - 9.2-14.7 HG12 ILE 71 - HE3 LYS 65 far 0 93 0 - 9.3-12.9 HD2 LYS 39 - HE2 LYS 65 far 0 62 0 - 9.4-19.8 HD3 LYS 39 - HE3 LYS 65 far 0 66 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 17 + HA LYS 17 OK 100 100 100 100 2.8-2.8 3.0=100 H LEU 14 - HA LYS 17 far 0 98 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 LYS 17 + HA LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 22 - HA LYS 17 far 0 94 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2813 from cnoeabs.peaks (1.92, 3.99, 59.84 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 17 + HA LYS 17 OK 100 100 100 100 2.6-3.0 3.0=100 HB ILE 15 - HA LYS 17 far 0 97 0 - 7.2-7.5 HB2 LYS 115 - HA LYS 17 far 0 98 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (1.75, 3.99, 59.84 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HA LYS 17 OK 100 100 100 100 2.6-3.9 3.9=87, 1.8/2815=79...(23) HG12 ILE 18 - HA LYS 17 poor 16 92 25 71 4.9-6.2 2921/3.6=37, 2834/3.0=22...(6) HB2 LEU 114 - HA LYS 17 far 3 57 5 - 4.6-7.8 Violated in 1 structures by 0.01 A. Peak 2815 from cnoeabs.peaks (1.43, 3.99, 59.84 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 17 + HA LYS 17 OK 100 100 100 100 2.3-3.4 3.9=72, 1.8/2814=57...(21) QB ALA 113 - HA LYS 17 far 0 61 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (1.68, 3.99, 59.84 ppm; 3.78 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HA LYS 17 OK 100 100 100 100 4.2-5.0 2863/3.0=69, 2862/3.0=64...(24) HD3 LYS 20 + HA LYS 17 OK 72 98 80 92 4.3-6.0 3.0/11542=43...(10) HD2 LYS 20 + HA LYS 17 OK 31 97 35 92 4.2-6.9 3.0/11542=43...(10) HD2 LYS 16 - HA LYS 17 far 0 99 0 - 6.6-7.0 HD3 LYS 16 - HA LYS 17 far 0 96 0 - 6.7-7.6 Violated in 20 structures by 0.21 A. Peak 2817 from cnoeabs.peaks (1.52, 3.99, 59.84 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HA LYS 17 OK 100 100 100 100 4.3-5.4 3.0/2815=72, 4.8=64...(27) HG2 LYS 20 + HA LYS 17 OK 80 90 90 99 2.4-6.2 1.8/11543=63, 11542=61...(12) HB3 LEU 14 - HA LYS 17 far 0 61 0 - 7.2-8.4 Violated in 6 structures by 0.05 A. Peak 2820 from cnoeabs.peaks (7.58, 1.99, 33.06 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.2-3.6 4.0=100 H LEU 14 - HB2 LYS 17 far 15 98 15 - 4.3-6.8 Violated in 0 structures by 0.00 A. Peak 2821 from cnoeabs.peaks (3.99, 1.99, 33.06 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 14 + HB2 LYS 17 OK 97 97 100 100 2.2-4.5 7977=70, 7979/1.8=62...(17) HA GLU 111 - HB2 LYS 17 far 10 99 10 - 4.9-7.0 HA GLU 112 - HB2 LYS 17 far 0 99 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 LYS 17 + HB2 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 15 - HB2 LYS 17 far 0 97 0 - 6.2-8.3 HB2 LYS 115 - HB2 LYS 17 far 0 98 0 - 7.5-11.7 HB3 LYS 115 - HB2 LYS 17 far 0 87 0 - 7.8-11.6 Violated in 0 structures by 0.00 A. Peak 2824 from cnoeabs.peaks (1.75, 1.99, 33.06 ppm; 3.83 A): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 18 + HB2 LYS 17 OK 75 92 100 81 3.3-5.3 4.6/94=37...(6) HB2 LEU 114 + HB2 LYS 17 OK 35 57 70 88 2.2-6.8 3.1/10915=44, ~10914=32...(13) Violated in 0 structures by 0.00 A. Peak 2825 from cnoeabs.peaks (1.43, 1.99, 33.06 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 113 - HB2 LYS 17 far 3 61 5 - 5.5-8.1 HB3 GLN 83 - HB2 LYS 17 far 0 94 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (1.68, 1.99, 33.06 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.2-3.6 3.7=100 HD3 LYS 20 - HB2 LYS 17 far 0 98 0 - 6.6-8.4 HD3 LYS 16 - HB2 LYS 17 far 0 96 0 - 6.6-8.9 HD2 LYS 20 - HB2 LYS 17 far 0 97 0 - 6.6-8.6 HD2 LYS 16 - HB2 LYS 17 far 0 99 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (1.52, 1.99, 33.06 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.2-3.9 3.7=100 HG2 LYS 20 + HB2 LYS 17 OK 49 90 60 91 4.7-7.8 11542/3.0=46, ~11543=37...(12) HB3 LEU 14 - HB2 LYS 17 far 9 61 15 - 4.5-7.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.6 4.9=100 Violated in 0 structures by 0.00 A. Peak 2830 from cnoeabs.peaks (7.58, 1.92, 33.06 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.1-3.6 4.0=100 H LEU 14 + HB3 LYS 17 OK 83 98 85 99 4.3-6.4 3.0/7979=64, 9162=60...(13) Violated in 0 structures by 0.00 A. Peak 2831 from cnoeabs.peaks (3.99, 1.92, 33.06 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 14 + HB3 LYS 17 OK 97 97 100 100 2.1-3.9 7979=71, 7977/1.8=59...(16) HA GLU 111 - HB3 LYS 17 far 0 99 0 - 5.5-7.4 HA GLU 112 - HB3 LYS 17 far 0 99 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 18 + HB3 LYS 17 OK 71 92 100 77 3.2-5.0 4.6/95=32...(6) HB2 LEU 114 - HB3 LYS 17 poor 19 57 40 84 3.3-6.4 3.1/10914=42, ~10915=26...(13) Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (1.43, 1.92, 33.06 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 113 - HB3 LYS 17 far 0 61 0 - 5.6-7.7 HB3 GLN 83 - HB3 LYS 17 far 0 94 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 2836 from cnoeabs.peaks (1.68, 1.92, 33.06 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.1-2.9 3.7=100 HD3 LYS 16 - HB3 LYS 17 far 0 96 0 - 6.2-8.3 HD3 LYS 20 - HB3 LYS 17 far 0 98 0 - 6.7-9.0 HD2 LYS 16 - HB3 LYS 17 far 0 99 0 - 6.7-8.7 HD2 LYS 20 - HB3 LYS 17 far 0 97 0 - 7.2-9.7 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.52, 1.92, 33.06 ppm; 4.15 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.4-3.8 3.7=100 HB3 LEU 14 + HB3 LYS 17 OK 46 61 75 99 4.7-6.8 3.1/11476=62...(12) HG2 LYS 20 + HB3 LYS 17 OK 45 90 55 91 4.9-8.8 11542/3.0=45, ~11543=36...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.9 4.9=100 Violated in 0 structures by 0.00 A. Peak 2840 from cnoeabs.peaks (7.58, 1.75, 25.82 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.0-4.2 1117/1.8=87, 1116=80...(18) H LEU 14 + HG2 LYS 17 OK 77 98 80 98 4.6-6.8 9162/3.0=53, 3.0/2841=31...(15) Violated in 0 structures by 0.00 A. Peak 2841 from cnoeabs.peaks (3.99, 1.75, 25.82 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.6-3.9 3.9=100 HA LEU 14 + HG2 LYS 17 OK 96 97 100 99 2.0-5.0 7979/3.0=57, 7977/3.0=56...(18) HA GLU 111 - HG2 LYS 17 far 15 99 15 - 5.0-8.3 HA GLU 112 - HG2 LYS 17 far 0 99 0 - 9.0-12.8 Violated in 0 structures by 0.00 A. Peak 2842 from cnoeabs.peaks (1.99, 1.75, 25.82 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 22 - HG2 LYS 17 far 0 94 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (1.92, 1.75, 25.82 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 15 - HG2 LYS 17 far 0 97 0 - 6.4-8.8 HB2 LYS 115 - HG2 LYS 17 far 0 98 0 - 8.4-13.2 HB3 LYS 115 - HG2 LYS 17 far 0 87 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 113 - HG2 LYS 17 far 0 61 0 - 6.1-8.4 HB3 GLN 83 - HG2 LYS 17 far 0 94 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (1.68, 1.75, 25.82 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 16 - HG2 LYS 17 far 0 99 0 - 5.2-8.9 HD3 LYS 16 - HG2 LYS 17 far 0 96 0 - 5.4-8.7 HD3 LYS 20 - HG2 LYS 17 far 0 98 0 - 6.2-8.9 HD2 LYS 20 - HG2 LYS 17 far 0 97 0 - 6.2-9.8 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (1.52, 1.75, 25.82 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HG2 LYS 17 OK 24 90 45 60 4.9-8.0 11542/3.9=33...(5) HB3 LEU 14 - HG2 LYS 17 far 3 61 5 - 4.8-7.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 2849 from cnoeabs.peaks (2.90, 1.75, 25.82 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: * HE3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.1-3.7 3.8=100 HE2 LYS 16 - HG2 LYS 17 far 5 92 5 - 4.7-10.5 HE3 LYS 16 - HG2 LYS 17 far 5 92 5 - 5.5-9.7 HE3 LYS 115 - HG2 LYS 17 far 0 94 0 - 7.8-17.1 HE2 LYS 115 - HG2 LYS 17 far 0 94 0 - 8.8-16.7 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (7.58, 1.43, 25.82 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.0-4.0 1117=100, 1114/3.0=79...(15) H LEU 14 - HG3 LYS 17 far 15 98 15 - 4.5-6.9 Violated in 0 structures by 0.00 A. Peak 2851 from cnoeabs.peaks (3.99, 1.43, 25.82 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.3-3.4 2815=100, 2814/1.8=66...(21) HA LEU 14 + HG3 LYS 17 OK 86 97 90 98 3.6-5.5 7979/3.0=49, 7977/3.0=48...(17) HA GLU 111 - HG3 LYS 17 far 0 99 0 - 5.9-7.8 HA GLU 112 - HG3 LYS 17 far 0 99 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2852 from cnoeabs.peaks (1.99, 1.43, 25.82 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 22 - HG3 LYS 17 far 0 94 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (1.92, 1.43, 25.82 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 15 - HG3 LYS 17 far 0 97 0 - 6.5-8.7 HB3 LYS 115 - HG3 LYS 17 far 0 87 0 - 8.9-13.0 HB2 LYS 115 - HG3 LYS 17 far 0 98 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 2854 from cnoeabs.peaks (1.75, 1.43, 25.82 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HG3 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 18 - HG3 LYS 17 far 5 92 5 - 3.0-7.1 HB2 LEU 114 - HG3 LYS 17 far 3 57 5 - 3.7-7.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD2 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 20 - HG3 LYS 17 far 0 97 0 - 5.5-8.4 HD3 LYS 20 - HG3 LYS 17 far 0 98 0 - 5.9-7.7 HD3 LYS 16 - HG3 LYS 17 far 0 96 0 - 6.1-9.0 HD2 LYS 16 - HG3 LYS 17 far 0 99 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (1.52, 1.43, 25.82 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 20 - HG3 LYS 17 far 13 90 15 - 4.5-8.4 HB3 LEU 14 - HG3 LYS 17 far 0 61 0 - 6.0-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 2859 from cnoeabs.peaks (2.90, 1.43, 25.82 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HE3 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.1-3.1 3.8=100 HE2 LYS 16 - HG3 LYS 17 far 0 92 0 - 6.0-10.4 HE3 LYS 16 - HG3 LYS 17 far 0 92 0 - 6.7-10.4 HE2 LYS 115 - HG3 LYS 17 far 0 94 0 - 8.1-16.1 HE3 LYS 115 - HG3 LYS 17 far 0 94 0 - 9.4-16.3 Violated in 0 structures by 0.00 A. Peak 2860 from cnoeabs.peaks (7.58, 1.68, 29.70 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HD2 LYS 17 OK 100 100 100 100 3.6-5.0 1114/2862=79...(19) H LEU 14 + HD2 LYS 17 OK 98 98 100 100 3.9-5.9 4.3/11478=56...(14) Violated in 1 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (3.99, 1.68, 29.70 ppm; 4.03 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HD2 LYS 17 OK 100 100 100 100 4.2-5.0 3.0/2863=76, 3.0/2862=72...(24) HA LEU 14 + HD2 LYS 17 OK 96 97 100 99 2.5-4.5 7979/2863=53...(16) HA GLU 111 + HD2 LYS 17 OK 46 99 70 66 4.0-6.1 11423/10919=39...(7) HA GLU 112 - HD2 LYS 17 far 0 99 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 2862 from cnoeabs.peaks (1.99, 1.68, 29.70 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HD2 LYS 17 OK 100 100 100 100 2.2-3.6 1.8/2863=78, 3.7=75...(26) Violated in 4 structures by 0.04 A. Peak 2863 from cnoeabs.peaks (1.92, 1.68, 29.70 ppm; 3.09 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 17 + HD2 LYS 17 OK 100 100 100 100 2.1-2.9 1.8/2862=61, 3.7=59...(22) HB ILE 15 - HD2 LYS 17 far 0 97 0 - 7.2-9.1 HB3 LYS 115 - HD2 LYS 17 far 0 87 0 - 8.3-11.7 HB2 LYS 115 - HD2 LYS 17 far 0 98 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (1.75, 1.68, 29.70 ppm; 2.80 A): 1 out of 3 assignments used, quality = 0.99: * HG2 LYS 17 + HD2 LYS 17 OK 99 100 100 99 2.3-3.0 3.0=85, 3.0/2863=40...(21) HB2 LEU 114 - HD2 LYS 17 far 6 57 10 - 3.4-6.6 HG12 ILE 18 - HD2 LYS 17 far 0 92 0 - 4.5-6.4 Violated in 9 structures by 0.08 A. Peak 2865 from cnoeabs.peaks (1.43, 1.68, 29.70 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + HD2 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 113 - HD2 LYS 17 far 0 61 0 - 5.3-7.3 HB3 GLN 83 - HD2 LYS 17 far 0 94 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD3 LYS 17 + HD2 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 14 - HD2 LYS 17 far 0 61 0 - 5.0-7.2 HG2 LYS 20 - HD2 LYS 17 far 0 90 0 - 6.8-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2869 from cnoeabs.peaks (2.90, 1.68, 29.70 ppm; 3.35 A): 1 out of 5 assignments used, quality = 1.00: * HE3 LYS 17 + HD2 LYS 17 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 16 - HD2 LYS 17 far 0 92 0 - 6.1-11.1 HE3 LYS 16 - HD2 LYS 17 far 0 92 0 - 7.3-10.9 HE2 LYS 115 - HD2 LYS 17 far 0 94 0 - 8.0-14.6 HE3 LYS 115 - HD2 LYS 17 far 0 94 0 - 9.2-14.7 Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (7.58, 1.52, 29.70 ppm; 5.02 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HD3 LYS 17 OK 100 100 100 100 3.6-5.4 1117/3.0=88, 1114/3.7=84...(17) H LEU 14 + HD3 LYS 17 OK 97 98 100 99 3.9-5.8 9162/3.7=64...(13) Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (3.99, 1.52, 29.70 ppm; 4.16 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HD3 LYS 17 OK 100 100 100 100 4.3-5.4 2815/3.0=72, 4.8=65...(27) HA LEU 14 + HD3 LYS 17 OK 96 97 100 99 2.5-4.6 7979/3.7=49, 7977/3.7=49...(17) HA GLU 111 + HD3 LYS 17 OK 29 99 40 73 3.5-7.2 11423/11514=34...(8) HA GLU 112 - HD3 LYS 17 far 0 99 0 - 7.9-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (1.92, 1.52, 29.70 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 17 + HD3 LYS 17 OK 100 100 100 100 2.4-3.8 3.7=100 HB3 LYS 115 - HD3 LYS 17 far 0 87 0 - 6.9-12.8 HB ILE 15 - HD3 LYS 17 far 0 97 0 - 7.2-8.8 HB2 LYS 115 - HD3 LYS 17 far 0 98 0 - 7.9-12.5 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (1.75, 1.52, 29.70 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HD3 LYS 17 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 18 - HD3 LYS 17 poor 18 92 20 - 3.6-7.8 HB2 LEU 114 - HD3 LYS 17 poor 14 57 25 - 1.8-7.7 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.43, 1.52, 29.70 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + HD3 LYS 17 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 113 - HD3 LYS 17 far 3 61 5 - 5.0-7.6 HB3 GLN 83 - HD3 LYS 17 far 0 94 0 - 8.2-11.3 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.68, 1.52, 29.70 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HD3 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 16 - HD3 LYS 17 far 0 99 0 - 6.3-9.9 HD3 LYS 16 - HD3 LYS 17 far 0 96 0 - 7.3-10.1 HD2 LYS 20 - HD3 LYS 17 far 0 97 0 - 8.0-11.2 HD3 LYS 20 - HD3 LYS 17 far 0 98 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.90, 1.52, 29.70 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HE3 LYS 17 + HD3 LYS 17 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 115 - HD3 LYS 17 far 0 94 0 - 6.8-15.8 HE2 LYS 16 - HD3 LYS 17 far 0 92 0 - 7.4-11.2 HE3 LYS 16 - HD3 LYS 17 far 0 92 0 - 8.0-11.9 HE3 LYS 115 - HD3 LYS 17 far 0 94 0 - 8.0-16.0 Violated in 0 structures by 0.00 A. Peak 2881 from cnoeabs.peaks (3.99, 2.85, 41.78 ppm; 6.20 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 17 + HE2 LYS 17 OK 100 100 100 100 4.2-6.0 2815/3.8=97, 3.0/2883=96...(22) HA LEU 14 + HE2 LYS 17 OK 97 97 100 100 2.3-6.3 10769=93, 7979/2883=81...(12) HA GLU 111 + HE2 LYS 17 OK 44 99 100 45 3.1-7.4 2861/2.9=19, 2891/1.8=15...(5) HA GLU 112 - HE2 LYS 17 far 5 99 5 - 7.5-12.1 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (1.99, 2.85, 41.78 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HE2 LYS 17 OK 100 100 100 100 2.1-4.6 2892/1.8=95, 2862/2.9=87...(22) Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (1.92, 2.85, 41.78 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 17 + HE2 LYS 17 OK 100 100 100 100 2.4-4.9 2863/2.9=86, 4.9=73...(17) HB3 LYS 115 - HE2 LYS 17 far 0 87 0 - 6.8-13.0 HB2 LYS 115 - HE2 LYS 17 far 0 98 0 - 7.8-13.0 HB ILE 15 - HE2 LYS 17 far 0 97 0 - 8.0-10.7 Violated in 13 structures by 0.10 A. Peak 2884 from cnoeabs.peaks (1.75, 2.85, 41.78 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HE2 LYS 17 OK 100 100 100 100 2.7-4.2 3.8=100 HB2 LEU 114 - HE2 LYS 17 poor 16 57 35 78 3.8-8.2 ~11218=35, ~10919=25...(9) HG12 ILE 18 - HE2 LYS 17 far 5 92 5 - 4.5-8.7 Violated in 3 structures by 0.02 A. Peak 2885 from cnoeabs.peaks (1.43, 2.85, 41.78 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + HE2 LYS 17 OK 100 100 100 100 2.4-4.0 3.8=100 QB ALA 113 - HE2 LYS 17 far 3 61 5 - 5.1-8.6 HB3 GLN 83 - HE2 LYS 17 far 0 94 0 - 8.6-12.7 Violated in 2 structures by 0.01 A. Peak 2886 from cnoeabs.peaks (1.68, 2.85, 41.78 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HE2 LYS 17 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 20 - HE2 LYS 17 far 0 97 0 - 7.1-11.6 HD3 LYS 16 - HE2 LYS 17 far 0 96 0 - 7.4-10.9 HD2 LYS 16 - HE2 LYS 17 far 0 99 0 - 7.8-11.4 HD3 LYS 20 - HE2 LYS 17 far 0 98 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 2887 from cnoeabs.peaks (1.52, 2.85, 41.78 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HE2 LYS 17 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 14 - HE2 LYS 17 far 3 61 5 - 4.9-8.9 HG2 LYS 20 - HE2 LYS 17 far 0 90 0 - 6.7-11.4 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HE3 LYS 17 + HE2 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 16 - HE2 LYS 17 far 0 92 0 - 6.1-12.7 HE3 LYS 16 - HE2 LYS 17 far 0 92 0 - 7.2-12.1 HE2 LYS 115 - HE2 LYS 17 far 0 94 0 - 7.4-16.3 HE3 LYS 115 - HE2 LYS 17 far 0 94 0 - 8.2-16.6 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (3.99, 2.90, 41.78 ppm; 6.20 A): 7 out of 15 assignments used, quality = 1.00: * HA LYS 17 + HE3 LYS 17 OK 100 100 100 100 4.0-5.2 2815/2895=99...(19) HA LEU 14 + HE3 LYS 17 OK 97 97 100 100 2.0-6.6 10769/1.8=87...(12) HA GLU 111 + HE3 LYS 17 OK 91 99 100 92 3.9-6.6 11422/11218=86...(4) HA GLU 112 + HE3 LYS 115 OK 83 84 100 99 3.0-6.4 10462/3.7=63...(9) HA GLU 112 + HE2 LYS 115 OK 83 84 100 99 2.0-5.8 10462/3.7=63...(8) HA GLU 111 + HE2 LYS 115 OK 24 85 55 50 4.1-10.1 10462/3.7=16...(6) HA GLU 111 + HE3 LYS 115 OK 20 85 50 47 4.5-10.5 10462/3.7=16...(5) HA LYS 17 - HE2 LYS 16 far 8 83 10 - 6.2-9.1 HA LYS 17 - HE3 LYS 16 far 8 83 10 - 6.2-8.8 HA LEU 14 - HE2 LYS 16 far 4 77 5 - 7.2-10.0 HA LEU 14 - HE3 LYS 16 far 0 77 0 - 7.9-9.6 HA GLU 112 - HE3 LYS 17 far 0 99 0 - 8.5-11.3 HA LYS 17 - HE3 LYS 115 far 0 87 0 - 8.7-16.9 HA LYS 17 - HE2 LYS 115 far 0 87 0 - 9.5-16.5 HA LEU 14 - HE2 LYS 115 far 0 81 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 2892 from cnoeabs.peaks (1.99, 2.90, 41.78 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 17 + HE3 LYS 17 OK 100 100 100 100 2.2-4.0 3.0/2895=67, 2862/2.9=66...(17) HB2 LYS 17 - HE3 LYS 115 far 0 87 0 - 7.4-15.7 HB2 LYS 17 - HE2 LYS 16 far 0 83 0 - 7.5-10.7 HB2 LYS 17 - HE2 LYS 115 far 0 87 0 - 8.0-15.1 HB2 LYS 17 - HE3 LYS 16 far 0 83 0 - 8.0-10.3 Violated in 10 structures by 0.03 A. Peak 2893 from cnoeabs.peaks (1.92, 2.90, 41.78 ppm; 3.34 A): 5 out of 16 assignments used, quality = 1.00: * HB3 LYS 17 + HE3 LYS 17 OK 100 100 100 100 2.6-4.7 1.8/2892=58, 2863/2.9=57...(17) HB2 LYS 115 + HE2 LYS 115 OK 69 83 85 98 3.6-5.3 4.8=33, 3.0/6774=18...(60) HB3 LYS 115 + HE3 LYS 115 OK 65 70 95 98 2.0-5.0 4.8=33, 3.0/6784=18...(60) HB3 LYS 115 + HE2 LYS 115 OK 61 70 90 98 2.0-4.9 4.8=33, 3.0/6784=18...(60) HB2 LYS 115 + HE3 LYS 115 OK 57 83 70 98 3.1-5.0 4.8=33, 3.0/6774=18...(60) HB ILE 15 - HE2 LYS 16 lone 7 77 75 13 3.5-6.6 77/7.4=10, 3952/3.0=1 HB ILE 15 - HE3 LYS 16 lone 7 77 70 13 4.0-6.5 77/7.4=10, 3952/3.0=1 HB3 LYS 17 - HE2 LYS 16 far 0 83 0 - 6.4-10.4 HB ILE 15 - HE3 LYS 17 far 0 97 0 - 6.7-10.5 HB3 LYS 17 - HE3 LYS 16 far 0 83 0 - 7.0-10.0 HB3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.0-13.4 HB2 LEU 81 - HE3 LYS 115 far 0 86 0 - 8.3-13.6 HB2 LYS 115 - HE3 LYS 17 far 0 98 0 - 8.3-12.2 HB3 LYS 17 - HE3 LYS 115 far 0 87 0 - 8.3-14.8 HB2 LEU 81 - HE2 LYS 115 far 0 86 0 - 8.9-13.4 HB3 LYS 17 - HE2 LYS 115 far 0 87 0 - 9.2-14.9 Violated in 8 structures by 0.03 A. Peak 2894 from cnoeabs.peaks (1.75, 2.90, 41.78 ppm; 3.64 A): 1 out of 16 assignments used, quality = 1.00: * HG2 LYS 17 + HE3 LYS 17 OK 100 100 100 100 2.1-3.7 3.8=91, 1.8/2895=82...(13) HB2 LEU 114 - HE3 LYS 17 far 9 57 15 - 4.1-8.2 HB2 LEU 114 - HE3 LYS 115 far 7 44 15 - 4.6-10.9 HB2 LEU 114 - HE2 LYS 115 far 4 44 10 - 5.1-10.3 HG2 LYS 17 - HE2 LYS 16 far 4 83 5 - 4.7-10.5 HG12 ILE 18 - HE3 LYS 17 far 0 92 0 - 5.2-8.0 HG2 LYS 17 - HE3 LYS 16 far 0 83 0 - 5.5-9.7 HG3 ARG 105 - HE2 LYS 115 far 0 86 0 - 6.2-13.6 HG3 ARG 105 - HE3 LYS 115 far 0 86 0 - 6.3-13.8 HG2 LYS 17 - HE3 LYS 115 far 0 87 0 - 7.8-17.1 HG12 ILE 18 - HE2 LYS 115 far 0 75 0 - 8.1-13.5 HG12 ILE 18 - HE3 LYS 115 far 0 75 0 - 8.2-13.9 HG2 LYS 17 - HE2 LYS 115 far 0 87 0 - 8.8-16.7 HG12 ILE 18 - HE2 LYS 16 far 0 71 0 - 9.3-12.0 HG12 ILE 18 - HE3 LYS 16 far 0 71 0 - 9.6-11.9 HD3 LYS 123 - HE3 LYS 115 far 0 81 0 - 9.9-16.6 Violated in 4 structures by 0.00 A. Peak 2895 from cnoeabs.peaks (1.43, 2.90, 41.78 ppm; 3.27 A): 1 out of 10 assignments used, quality = 0.99: * HG3 LYS 17 + HE3 LYS 17 OK 99 100 100 99 2.1-3.1 3.8=66, 1.8/2894=60...(13) QB ALA 113 - HE3 LYS 17 far 0 61 0 - 6.0-8.3 HG3 LYS 17 - HE2 LYS 16 far 0 83 0 - 6.0-10.4 QB ALA 113 - HE2 LYS 115 far 0 47 0 - 6.2-8.9 HG3 LYS 17 - HE3 LYS 16 far 0 83 0 - 6.7-10.4 QB ALA 113 - HE3 LYS 115 far 0 47 0 - 6.8-9.1 HG3 LYS 17 - HE2 LYS 115 far 0 87 0 - 8.1-16.1 HB3 GLN 83 - HE3 LYS 17 far 0 94 0 - 9.2-12.6 HB3 GLN 83 - HE2 LYS 115 far 0 77 0 - 9.4-13.4 HG3 LYS 17 - HE3 LYS 115 far 0 87 0 - 9.4-16.3 Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (1.68, 2.90, 41.78 ppm; 2.57 A): 5 out of 18 assignments used, quality = 1.00: * HD2 LYS 17 + HE3 LYS 17 OK 90 100 100 90 2.3-3.0 2.9=66, 3.0/2895=31...(7) HD2 LYS 16 + HE3 LYS 16 OK 74 80 100 92 2.3-3.0 3.0=63, 2778/1.8=14...(27) HD2 LYS 16 + HE2 LYS 16 OK 73 80 100 92 2.6-3.0 3.0=63, 2778/1.8=14...(27) HD3 LYS 16 + HE3 LYS 16 OK 69 75 100 92 2.6-3.0 3.0=63, 2779/1.8=14...(27) HD3 LYS 16 + HE2 LYS 16 OK 69 75 100 92 2.3-3.0 3.0=63, 2779/1.8=14...(27) HD2 LYS 17 - HE2 LYS 16 far 0 83 0 - 6.1-11.1 HD3 LYS 20 - HE3 LYS 16 far 0 78 0 - 6.1-12.0 HD3 LYS 20 - HE2 LYS 16 far 0 78 0 - 6.4-12.4 HD3 LYS 16 - HE3 LYS 17 far 0 96 0 - 6.9-10.5 HD2 LYS 20 - HE3 LYS 16 far 0 77 0 - 6.9-13.4 HD2 LYS 17 - HE3 LYS 16 far 0 83 0 - 7.3-10.9 HD3 LYS 20 - HE3 LYS 17 far 0 98 0 - 7.5-9.5 HD2 LYS 20 - HE3 LYS 17 far 0 97 0 - 7.6-10.2 HD2 LYS 20 - HE2 LYS 16 far 0 77 0 - 7.7-13.8 HD2 LYS 16 - HE3 LYS 17 far 0 99 0 - 7.7-10.4 HD2 LYS 17 - HE2 LYS 115 far 0 87 0 - 8.0-14.6 HD3 LYS 20 - HE3 LYS 115 far 0 83 0 - 9.1-20.1 HD2 LYS 17 - HE3 LYS 115 far 0 87 0 - 9.2-14.7 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (1.52, 2.90, 41.78 ppm; 3.28 A): 1 out of 13 assignments used, quality = 1.00: * HD3 LYS 17 + HE3 LYS 17 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 14 - HE3 LYS 17 far 3 61 5 - 4.3-9.2 HG2 LYS 20 - HE3 LYS 17 far 0 90 0 - 6.1-9.9 HG2 LYS 20 - HE3 LYS 16 far 0 68 0 - 6.5-13.1 HD3 LYS 17 - HE2 LYS 115 far 0 87 0 - 6.8-15.8 HG2 LYS 20 - HE2 LYS 16 far 0 68 0 - 7.2-13.3 HD3 LYS 17 - HE2 LYS 16 far 0 83 0 - 7.4-11.2 HB3 LEU 14 - HE2 LYS 16 far 0 44 0 - 7.6-10.2 HB3 LEU 14 - HE3 LYS 16 far 0 44 0 - 7.8-10.6 HD3 LYS 17 - HE3 LYS 16 far 0 83 0 - 8.0-11.9 HD3 LYS 17 - HE3 LYS 115 far 0 87 0 - 8.0-16.0 HG2 LYS 20 - HE3 LYS 115 far 0 72 0 - 8.5-18.1 HG2 LYS 20 - HE2 LYS 115 far 0 72 0 - 9.3-18.0 Violated in 0 structures by 0.00 A. Peak 2898 from cnoeabs.peaks (2.85, 2.90, 41.78 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HE2 LYS 17 + HE3 LYS 17 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 17 - HE2 LYS 16 far 0 83 0 - 6.1-12.7 HE2 LYS 17 - HE3 LYS 16 far 0 83 0 - 7.2-12.1 HE2 LYS 17 - HE2 LYS 115 far 0 87 0 - 7.4-16.3 HE2 LYS 17 - HE3 LYS 115 far 0 87 0 - 8.2-16.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB ILE 18 + HA ILE 18 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LYS 19 - HA ILE 18 far 0 84 0 - 5.5-5.6 QE MET 121 - HA ILE 18 far 0 94 0 - 5.6-10.6 HB2 LEU 14 - HA ILE 18 far 0 100 0 - 6.0-7.9 HB ILE 57 - HA ILE 18 far 0 100 0 - 8.4-10.6 HG12 ILE 5 - HA ILE 18 far 0 81 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 2903 from cnoeabs.peaks (0.72, 3.37, 65.47 ppm; 3.17 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 18 + HA ILE 18 OK 100 100 100 100 2.3-2.9 3.2=98, 2920/2906=41...(23) HG13 ILE 18 + HA ILE 18 OK 88 90 100 99 2.4-3.0 3.8=58, 2.1/2906=48...(24) QG1 VAL 117 - HA ILE 18 poor 16 100 25 64 4.4-5.8 2.1/10514=29, 10517=21...(8) QD2 LEU 55 - HA ILE 18 far 3 65 5 - 4.5-6.9 QD2 LEU 81 - HA ILE 18 far 0 87 0 - 5.3-6.1 QD1 ILE 57 - HA ILE 18 far 0 90 0 - 5.5-7.1 Violated in 0 structures by 0.00 A. Peak 2904 from cnoeabs.peaks (1.76, 3.37, 65.47 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 18 + HA ILE 18 OK 100 100 100 100 2.1-3.1 3.8=100 HG2 LYS 17 - HA ILE 18 far 5 92 5 - 3.7-6.6 HB2 LEU 55 - HA ILE 18 far 0 99 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 2905 from cnoeabs.peaks (0.73, 3.37, 65.47 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 18 + HA ILE 18 OK 99 100 100 99 2.4-3.0 3.8=58, 2.1/2906=48...(25) QG2 ILE 18 + HA ILE 18 OK 89 90 100 100 2.3-2.9 3.2=98, 2.9/2906=40...(23) QG1 VAL 117 - HA ILE 18 poor 15 96 25 63 4.4-5.8 2.1/10514=29, 10517=20...(8) QD2 LEU 55 - HA ILE 18 far 5 97 5 - 4.5-6.9 QG2 ILE 7 - HA ILE 18 far 0 77 0 - 5.4-6.2 Violated in 0 structures by 0.00 A. Peak 2906 from cnoeabs.peaks (0.61, 3.37, 65.47 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 18 + HA ILE 18 OK 100 100 100 100 3.6-3.9 2936=89, 2920/3.2=72...(20) QD1 ILE 5 - HA ILE 18 far 0 90 0 - 7.4-10.4 Violated in 7 structures by 0.02 A. Peak 2907 from cnoeabs.peaks (8.79, 1.82, 37.56 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 18 + HB ILE 18 OK 100 100 100 100 2.1-2.7 3.9=84, 1128/3.2=53...(14) H VAL 29 - HB ILE 18 far 0 94 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 4 out of 8 assignments used, quality = 1.00: * QG2 ILE 18 + HB ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 18 + HB ILE 18 OK 90 90 100 100 3.0-3.0 2.9=100 QD1 ILE 57 + HB ILE 18 OK 34 90 70 54 3.4-5.5 9559/7985=18, 4532=17...(10) QG1 VAL 117 + HB ILE 18 OK 25 100 30 84 3.9-6.1 10510=25, 10517/3.0=21...(14) QD2 LEU 55 - HB ILE 18 poor 20 65 30 - 3.7-6.0 QD2 LEU 81 - HB ILE 18 far 13 87 15 - 4.5-5.6 QD1 LEU 6 - HB ILE 18 far 0 100 0 - 8.3-9.0 QD2 LEU 6 - HB ILE 18 far 0 70 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (1.76, 1.82, 37.56 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 18 + HB ILE 18 OK 100 100 100 100 2.4-2.7 2.9=100 HG2 LYS 17 - HB ILE 18 far 5 92 5 - 3.8-7.6 HB2 LEU 55 - HB ILE 18 far 0 99 0 - 6.8-9.5 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (0.73, 1.82, 37.56 ppm; 3.14 A): 4 out of 8 assignments used, quality = 1.00: * HG13 ILE 18 + HB ILE 18 OK 100 100 100 100 3.0-3.0 2.9=100 QG2 ILE 18 + HB ILE 18 OK 90 90 100 100 2.1-2.1 2.1=100 QG2 ILE 7 + HB ILE 18 OK 42 77 90 60 3.7-4.7 11582/3.2=30...(7) QG1 VAL 117 + HB ILE 18 OK 24 96 30 83 3.9-6.1 10510=24, ~10520=21...(14) QD2 LEU 55 - HB ILE 18 poor 10 97 30 34 3.7-6.0 9504/2945=8, 11487=8...(7) QD1 LEU 6 - HB ILE 18 far 0 81 0 - 8.3-9.0 QD2 LEU 6 - HB ILE 18 far 0 98 0 - 9.8-10.9 QG2 ILE 54 - HB ILE 18 far 0 70 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 2913 from cnoeabs.peaks (0.61, 1.82, 37.56 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 18 + HB ILE 18 OK 100 100 100 100 2.1-2.5 3.2=100 QD1 ILE 5 - HB ILE 18 far 0 90 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 2914 from cnoeabs.peaks (8.79, 0.72, 17.36 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 18 + QG2 ILE 18 OK 100 100 100 100 3.4-3.8 4.0=100 H ILE 5 - QG2 ILE 18 far 0 57 0 - 7.0-8.1 H VAL 29 - QG2 ILE 18 far 0 94 0 - 7.1-9.0 H ASN 59 - QG2 ILE 18 far 0 94 0 - 8.9-11.2 H ILE 54 - QG2 ILE 18 far 0 61 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 3.2=100 Violated in 0 structures by 0.00 A. Peak 2916 from cnoeabs.peaks (1.82, 0.72, 17.36 ppm; 3.35 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 18 + QG2 ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 19 + QG2 ILE 18 OK 36 84 60 72 4.0-5.4 3.0/9191=31, 104/3.7=21...(11) HB2 LEU 14 - QG2 ILE 18 poor 20 100 20 - 4.6-6.8 QE MET 121 - QG2 ILE 18 poor 12 94 35 37 4.1-8.3 10601=14, 10861/11119=11...(7) HB ILE 57 - QG2 ILE 18 far 10 100 10 - 4.4-7.5 HG12 ILE 5 - QG2 ILE 18 far 0 81 0 - 5.7-8.4 HG2 ARG 105 - QG2 ILE 18 far 0 73 0 - 9.2-11.5 HB3 ARG 105 - QG2 ILE 18 far 0 99 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG12 ILE 18 + QG2 ILE 18 OK 100 100 100 100 3.1-3.2 3.2=100 HB2 LEU 55 - QG2 ILE 18 far 15 99 15 - 4.5-6.3 HG2 LYS 17 - QG2 ILE 18 far 5 92 5 - 4.9-7.5 HB3 GLN 28 - QG2 ILE 18 far 0 65 0 - 8.8-10.3 HB VAL 32 - QG2 ILE 18 far 0 90 0 - 9.5-11.6 HB2 LEU 80 - QG2 ILE 18 far 0 87 0 - 10.0-11.3 HG3 ARG 105 - QG2 ILE 18 far 0 84 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 0.98: * QD1 ILE 18 + QG2 ILE 18 OK 98 100 100 98 1.8-2.4 2.9=89, 2906/3.2=28...(17) QD1 ILE 5 - QG2 ILE 18 far 0 90 0 - 4.6-7.4 QG1 VAL 78 - QG2 ILE 18 far 0 100 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (8.79, 1.76, 29.49 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HG12 ILE 18 OK 100 100 100 100 1.8-3.4 1128/2.1=87, 4.6=84...(21) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.1 3.8=100 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (1.82, 1.76, 29.49 ppm; 2.81 A): 2 out of 5 assignments used, quality = 0.99: * HB ILE 18 + HG12 ILE 18 OK 99 100 100 99 2.4-2.7 2.9=93, ~2920=26...(15) HB2 LEU 14 + HG12 ILE 18 OK 49 100 60 82 3.3-5.2 2937/2.1=18...(19) QE MET 121 - HG12 ILE 18 far 0 94 0 - 5.8-12.1 HB3 LYS 19 - HG12 ILE 18 far 0 84 0 - 6.1-7.1 HB ILE 57 - HG12 ILE 18 far 0 100 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 2924 from cnoeabs.peaks (0.72, 1.76, 29.49 ppm; 3.33 A): 4 out of 7 assignments used, quality = 1.00: * QG2 ILE 18 + HG12 ILE 18 OK 100 100 100 100 3.1-3.2 3.2=100 HG13 ILE 18 + HG12 ILE 18 OK 90 90 100 100 1.8-1.8 1.8=100 QD2 LEU 81 + HG12 ILE 18 OK 47 87 100 54 3.9-4.7 10419/11010=26...(5) QG1 VAL 117 + HG12 ILE 18 OK 35 100 40 88 4.1-5.9 2.1/10520=37, ~10524=36...(10) QD2 LEU 55 - HG12 ILE 18 far 0 65 0 - 5.3-7.8 QD1 ILE 57 - HG12 ILE 18 far 0 90 0 - 5.6-7.1 QD1 LEU 6 - HG12 ILE 18 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. 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): 4 out of 6 assignments used, quality = 1.00: * HG13 ILE 18 + HG12 ILE 18 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 18 + HG12 ILE 18 OK 90 90 100 100 3.1-3.2 3.2=100 QG2 ILE 7 + HG12 ILE 18 OK 62 77 100 80 4.1-4.8 11582/2.1=45, 11076=25...(9) QG1 VAL 117 + HG12 ILE 18 OK 33 96 40 87 4.1-5.9 2.1/10520=37, ~10524=36...(10) QD2 LEU 55 - HG12 ILE 18 far 0 97 0 - 5.3-7.8 QD1 LEU 6 - HG12 ILE 18 far 0 81 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 2927 from cnoeabs.peaks (0.61, 1.76, 29.49 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 18 + HG12 ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 5 - HG12 ILE 18 far 0 90 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (8.79, 0.73, 29.49 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 18 + HG13 ILE 18 OK 100 100 100 100 3.1-4.4 4.6=100 H ILE 5 - HG13 ILE 18 far 0 57 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 2930 from cnoeabs.peaks (1.82, 0.73, 29.49 ppm; 4.27 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 18 + HG13 ILE 18 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LEU 14 + HG13 ILE 18 OK 65 100 65 100 4.6-6.6 ~11652=44, ~11651=43...(18) QE MET 121 - HG13 ILE 18 poor 19 94 20 - 4.7-10.7 HB3 LYS 19 - HG13 ILE 18 far 0 84 0 - 7.1-7.6 HB ILE 57 - HG13 ILE 18 far 0 100 0 - 7.5-10.4 HG12 ILE 5 - HG13 ILE 18 far 0 81 0 - 8.4-11.4 HG2 ARG 105 - HG13 ILE 18 far 0 73 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG12 ILE 18 + HG13 ILE 18 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 17 - HG13 ILE 18 far 5 92 5 - 4.3-8.7 HB2 LEU 55 - HG13 ILE 18 far 0 99 0 - 7.7-10.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD1 ILE 18 + HG13 ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 5 - HG13 ILE 18 far 0 90 0 - 7.1-9.9 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (8.79, 0.61, 13.41 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: * H ILE 18 + QD1 ILE 18 OK 100 100 100 100 3.0-3.8 1128=100, 3.0/2906=57...(17) H ILE 5 + QD1 ILE 5 OK 29 38 100 77 2.4-4.3 5.0=43, 3.9/2439=25...(9) H ILE 54 - QD1 ILE 5 poor 8 41 20 - 4.8-7.6 H VAL 29 - QD1 ILE 5 far 0 69 0 - 8.0-11.5 H ASN 59 - QD1 ILE 18 far 0 94 0 - 8.4-10.1 H ILE 5 - QD1 ILE 18 far 0 57 0 - 8.4-9.4 H ILE 18 - QD1 ILE 5 far 0 78 0 - 9.1-12.2 H VAL 29 - QD1 ILE 18 far 0 94 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (3.37, 0.61, 13.41 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 18 + QD1 ILE 18 OK 100 100 100 100 3.6-3.9 2906=100, 3.2/2920=77...(20) HA ILE 18 - QD1 ILE 5 far 0 78 0 - 7.4-10.4 Violated in 0 structures by 0.00 A. Peak 2937 from cnoeabs.peaks (1.82, 0.61, 13.41 ppm; 2.92 A): 4 out of 16 assignments used, quality = 1.00: * HB ILE 18 + QD1 ILE 18 OK 99 100 100 99 2.1-2.5 3.2=74, 2.1/2920=64...(19) HB2 LEU 14 + QD1 ILE 18 OK 89 100 100 89 2.0-4.2 3.1/11652=37...(16) HG12 ILE 5 + QD1 ILE 5 OK 56 56 100 100 2.1-2.1 2.1=100 QE MET 121 + QD1 ILE 5 OK 25 69 55 65 2.8-6.0 3.4/10592=24...(10) HB ILE 3 - QD1 ILE 5 poor 15 53 50 58 3.7-6.1 ~10739=17, ~2337=12...(11) HB ILE 57 - QD1 ILE 18 far 0 100 0 - 4.7-7.7 QE MET 121 - QD1 ILE 18 far 0 94 0 - 5.1-9.6 HB3 LYS 19 - QD1 ILE 18 far 0 84 0 - 5.7-6.7 HB ILE 18 - QD1 ILE 5 far 0 78 0 - 7.3-10.7 HG12 ILE 5 - QD1 ILE 18 far 0 81 0 - 7.5-9.4 HB3 ARG 105 - QD1 ILE 5 far 0 75 0 - 7.8-9.8 HB3 ARG 105 - QD1 ILE 18 far 0 99 0 - 7.9-9.8 HG2 ARG 105 - QD1 ILE 18 far 0 73 0 - 8.3-10.0 HG2 ARG 105 - QD1 ILE 5 far 0 50 0 - 8.5-10.8 HB ILE 57 - QD1 ILE 5 far 0 78 0 - 9.4-11.5 HB3 LYS 19 - QD1 ILE 5 far 0 59 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (0.72, 0.61, 13.41 ppm; 2.40 A): 4 out of 19 assignments used, quality = 1.00: HG13 ILE 18 + QD1 ILE 18 OK 90 90 100 100 2.1-2.1 2.1=100 * QG2 ILE 18 + QD1 ILE 18 OK 89 100 100 89 1.8-2.4 2920=65, 3.2/2906=20...(15) QG1 VAL 117 + QD1 ILE 18 OK 67 100 95 71 2.3-4.2 2.1/10524=35, ~10520=14...(13) QD2 LEU 81 + QD1 ILE 18 OK 40 87 100 46 1.8-2.7 10419/10421=17...(7) QG1 VAL 117 - QD1 ILE 5 poor 13 77 35 47 2.5-5.0 4708/4709=11...(9) QD2 LEU 55 - QD1 ILE 5 far 7 44 15 - 2.8-5.7 QD1 ILE 57 - QD1 ILE 18 far 4 90 5 - 3.8-5.4 QG2 VAL 78 - QD1 ILE 5 far 4 72 5 - 3.6-6.2 QD2 LEU 55 - QD1 ILE 18 far 3 65 5 - 3.7-5.5 QG2 ILE 18 - QD1 ILE 5 far 0 78 0 - 4.6-7.4 QD2 LEU 81 - QD1 ILE 5 far 0 62 0 - 5.7-7.5 QD2 LEU 6 - QD1 ILE 5 far 0 47 0 - 5.9-7.1 QD1 LEU 6 - QD1 ILE 18 far 0 100 0 - 6.1-6.8 QD1 LEU 6 - QD1 ILE 5 far 0 77 0 - 6.6-7.1 QD1 ILE 57 - QD1 ILE 5 far 0 64 0 - 6.8-8.9 HG13 ILE 18 - QD1 ILE 5 far 0 64 0 - 7.1-9.9 QD2 LEU 6 - QD1 ILE 18 far 0 70 0 - 7.5-8.6 QD2 LEU 45 - QD1 ILE 5 far 0 72 0 - 7.9-10.7 QG2 VAL 78 - QD1 ILE 18 far 0 97 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (1.76, 0.61, 13.41 ppm; 2.98 A): 1 out of 11 assignments used, quality = 1.00: * HG12 ILE 18 + QD1 ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 17 - QD1 ILE 18 far 5 92 5 - 4.0-7.3 HB2 LEU 55 - QD1 ILE 5 far 0 76 0 - 4.7-7.5 HB2 LEU 55 - QD1 ILE 18 far 0 99 0 - 6.6-8.8 HB2 LEU 80 - QD1 ILE 5 far 0 62 0 - 7.4-9.4 HD3 LYS 123 - QD1 ILE 5 far 0 47 0 - 7.6-8.7 HB3 GLN 28 - QD1 ILE 5 far 0 44 0 - 7.6-11.1 HG12 ILE 18 - QD1 ILE 5 far 0 78 0 - 8.4-10.9 HG3 ARG 105 - QD1 ILE 18 far 0 84 0 - 8.4-11.0 HB2 LEU 80 - QD1 ILE 18 far 0 87 0 - 9.3-10.1 HG3 ARG 105 - QD1 ILE 5 far 0 59 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (0.73, 0.61, 13.41 ppm; 2.40 A): 4 out of 20 assignments used, quality = 1.00: * HG13 ILE 18 + QD1 ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 18 + QD1 ILE 18 OK 78 90 100 87 1.8-2.4 2.9=57, 3.2/2906=20...(15) QG1 VAL 117 + QD1 ILE 18 OK 64 96 95 70 2.3-4.2 2.1/10524=35, ~10520=14...(13) QG2 ILE 7 + QD1 ILE 18 OK 49 77 100 63 1.8-2.1 11582=25, 3.2/11580=19...(9) QG1 VAL 117 - QD1 ILE 5 poor 11 71 35 45 2.5-5.0 4708/4709=12...(8) QD2 LEU 55 - QD1 ILE 5 far 11 72 15 - 2.8-5.7 QD2 LEU 55 - QD1 ILE 18 far 5 97 5 - 3.7-5.5 QG2 VAL 78 - QD1 ILE 5 far 4 76 5 - 3.6-6.2 QG2 ILE 18 - QD1 ILE 5 far 0 64 0 - 4.6-7.4 QG2 ILE 54 - QD1 ILE 5 far 0 47 0 - 5.7-7.8 QD2 LEU 6 - QD1 ILE 5 far 0 74 0 - 5.9-7.1 QG2 ILE 7 - QD1 ILE 5 far 0 53 0 - 6.0-7.5 QD1 LEU 6 - QD1 ILE 18 far 0 81 0 - 6.1-6.8 QD1 LEU 6 - QD1 ILE 5 far 0 56 0 - 6.6-7.1 HG13 ILE 18 - QD1 ILE 5 far 0 78 0 - 7.1-9.9 QD2 LEU 6 - QD1 ILE 18 far 0 98 0 - 7.5-8.6 QD2 LEU 45 - QD1 ILE 5 far 0 76 0 - 7.9-10.7 QG2 ILE 54 - QD1 ILE 18 far 0 70 0 - 8.8-10.2 QD1 LEU 63 - QD1 ILE 18 far 0 87 0 - 9.4-10.9 QG2 VAL 78 - QD1 ILE 18 far 0 99 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 19 + HA LYS 19 OK 100 100 100 100 2.7-2.8 3.0=100 H ILE 57 - HA LYS 19 far 0 94 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 GLN 28 - HA LYS 19 far 0 99 0 - 8.3-10.5 HG12 ILE 5 - HA LYS 19 far 0 61 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (1.83, 3.68, 60.85 ppm; 3.74 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.9-3.0 3.0=100 HB ILE 18 + HA LYS 19 OK 75 84 100 89 4.1-5.0 2.1/9191=44, 7384/3.0=38...(13) HB ILE 57 - HA LYS 19 far 0 90 0 - 6.5-8.8 QE MET 121 - HA LYS 19 far 0 99 0 - 6.5-11.3 HB2 LEU 14 - HA LYS 19 far 0 90 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.60, 3.68, 60.85 ppm; 3.86 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-3.5 3.8=100 HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.2-4.6 5.4=35, 3004/3.0=33...(35) HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-4.7 5.4=35, 2994/3.0=33...(35) Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (1.59, 3.68, 60.85 ppm; 3.86 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-3.5 3.8=100 HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.2-4.6 5.4=35, 3004/3.0=33...(35) * HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-4.7 5.4=35, 3004/3.0=33...(35) Violated in 0 structures by 0.00 A. Peak 2949 from cnoeabs.peaks (1.59, 3.68, 60.85 ppm; 3.86 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-3.5 3.8=100 * HD3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.2-4.6 5.4=35, 3004/3.0=33...(35) HD2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-4.7 5.4=35, 3004/3.0=33...(35) Violated in 0 structures by 0.00 A. Peak 2950 from cnoeabs.peaks (2.70, 3.68, 60.85 ppm; 5.76 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 19 + HA LYS 19 OK 100 100 100 100 1.8-6.0 6.3=77, 3024/3.0=44...(33) * HE2 LYS 19 + HA LYS 19 OK 100 100 100 100 2.6-5.9 6.3=77, 3024/3.0=44...(32) Violated in 0 structures by 0.00 A. Peak 2952 from cnoeabs.peaks (8.53, 1.79, 32.33 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.4-3.6 4.0=100 H ILE 57 - HB2 LYS 19 far 0 94 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 18 - HB2 LYS 19 far 0 84 0 - 5.9-6.6 HB ILE 57 - HB2 LYS 19 far 0 90 0 - 7.4-9.8 QE MET 121 - HB2 LYS 19 far 0 99 0 - 8.5-13.2 HB2 LEU 14 - HB2 LYS 19 far 0 90 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.60, 1.79, 32.33 ppm; 3.43 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.4-4.1 3.6=84, 1.8/3004=36...(33) HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.6-4.0 3.6=84, 1.8/3004=36...(33) Violated in 0 structures by 0.00 A. Peak 2958 from cnoeabs.peaks (1.59, 1.79, 32.33 ppm; 3.43 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.4-4.1 3.6=84, 1.8/2994=36...(34) * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.6-4.0 3.6=84, 1.8/2994=36...(34) Violated in 0 structures by 0.00 A. Peak 2959 from cnoeabs.peaks (1.59, 1.79, 32.33 ppm; 3.43 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.4-4.1 3.6=84, 1.8/2994=36...(34) HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.6-4.0 3.6=84, 1.8/2994=36...(34) Violated in 0 structures by 0.00 A. Peak 2961 from cnoeabs.peaks (2.70, 1.79, 32.33 ppm; 5.66 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-5.0 5.0=100 * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.3-5.4 5.0=100 Violated in 0 structures by 0.00 A. Peak 2962 from cnoeabs.peaks (8.53, 1.83, 32.33 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-2.5 4.0=100 H ILE 57 - HB3 LYS 19 far 0 94 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (1.79, 1.83, 32.33 ppm; 2.63 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 3 - HB3 LYS 77 far 0 51 0 - 4.7-6.8 HB ILE 3 - HB2 LYS 77 far 0 46 0 - 5.8-8.6 HG12 ILE 5 - HB3 LYS 77 far 0 47 0 - 7.0-10.0 HG12 ILE 5 - HB2 LYS 77 far 0 43 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 53 - HB3 LYS 77 far 0 73 0 - 7.9-14.0 HG2 LYS 53 - HB2 LYS 77 far 0 66 0 - 9.6-15.2 Violated in 0 structures by 0.00 A. Peak 2967 from cnoeabs.peaks (1.60, 1.83, 32.33 ppm; 3.26 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HD3 LYS 19 + HB3 LYS 19 OK 99 100 100 99 2.0-3.6 3.6=72, 2994/1.8=33...(33) HD2 LYS 19 + HB3 LYS 19 OK 99 100 100 99 2.2-4.2 3.6=72, 2994/1.8=33...(34) HB3 LEU 127 - HB3 LYS 77 far 8 54 15 - 3.9-6.0 HB3 LEU 127 - HB2 LYS 77 far 5 49 10 - 3.9-5.9 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (1.59, 1.83, 32.33 ppm; 3.26 A): 3 out of 7 assignments used, quality = 1.00: HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HD3 LYS 19 + HB3 LYS 19 OK 99 100 100 99 2.0-3.6 3.6=72, 2994/1.8=33...(33) * HD2 LYS 19 + HB3 LYS 19 OK 99 100 100 99 2.2-4.2 3.6=72, 2994/1.8=33...(34) HB3 LEU 127 - HB3 LYS 77 far 7 47 15 - 3.9-6.0 HB3 LEU 127 - HB2 LYS 77 far 4 43 10 - 3.9-5.9 HG2 LYS 123 - HB3 LYS 77 far 0 47 0 - 6.7-9.9 HG2 LYS 123 - HB2 LYS 77 far 0 43 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. Peak 2969 from cnoeabs.peaks (1.59, 1.83, 32.33 ppm; 3.26 A): 3 out of 7 assignments used, quality = 1.00: HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 * HD3 LYS 19 + HB3 LYS 19 OK 99 100 100 99 2.0-3.6 3.6=72, 2994/1.8=33...(33) HD2 LYS 19 + HB3 LYS 19 OK 99 100 100 99 2.2-4.2 3.6=72, 2994/1.8=33...(34) HB3 LEU 127 - HB3 LYS 77 far 7 47 15 - 3.9-6.0 HB3 LEU 127 - HB2 LYS 77 far 4 43 10 - 3.9-5.9 HG2 LYS 123 - HB3 LYS 77 far 0 47 0 - 6.7-9.9 HG2 LYS 123 - HB2 LYS 77 far 0 43 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (8.53, 1.10, 27.09 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + HG2 LYS 19 OK 100 100 100 100 3.6-4.3 5.0=100 H ILE 57 - HG2 LYS 19 far 0 94 0 - 7.1-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 2974 from cnoeabs.peaks (1.79, 1.10, 27.09 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 GLN 28 - HG2 LYS 19 far 0 99 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (1.83, 1.10, 27.09 ppm; 4.29 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 18 + HG2 LYS 19 OK 25 84 35 85 5.3-6.5 4.5/1133=45...(8) HB ILE 57 + HG2 LYS 19 OK 21 90 40 60 5.1-7.9 3.2/10785=22, ~9555=13...(8) QE MET 121 - HG2 LYS 19 far 0 99 0 - 7.8-13.3 HB2 LEU 14 - HG2 LYS 19 far 0 90 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (1.59, 1.10, 27.09 ppm; 3.22 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (1.59, 1.10, 27.09 ppm; 3.22 A): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (2.70, 1.10, 27.09 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2981 from cnoeabs.peaks (2.70, 1.10, 27.09 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.2-4.2 4.0=100 * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2982 from cnoeabs.peaks (8.53, 1.60, 27.09 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-4.4 1131/3.0=90, 1133/1.8=88...(19) H ILE 57 - HG3 LYS 19 far 0 94 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (1.79, 1.60, 27.09 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 28 - HG3 LYS 19 far 0 99 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 2985 from cnoeabs.peaks (1.83, 1.60, 27.09 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HB ILE 18 + HG3 LYS 19 OK 47 84 90 62 3.9-6.5 4.5/2982=28, 2945/3.8=18...(8) HB ILE 57 - HG3 LYS 19 poor 11 90 25 51 4.9-7.6 3.2/9555=12, ~10785=10...(10) HB2 LEU 14 - HG3 LYS 19 far 0 90 0 - 7.0-10.3 QE MET 121 - HG3 LYS 19 far 0 99 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 4.0=100 * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2992 from cnoeabs.peaks (8.53, 1.59, 29.87 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-4.7 1131/3.6=77, 1133/3.0=69...(22) H LYS 19 + HD3 LYS 19 OK 100 100 100 100 3.3-5.2 1131/3.6=77, 1133/3.0=69...(21) H ILE 57 - HD2 LYS 19 far 0 94 0 - 6.6-9.6 H ILE 57 - HD3 LYS 19 far 0 94 0 - 7.2-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.6 5.4=64, 3.0/2994=43...(35) * HA LYS 19 + HD2 LYS 19 OK 100 100 100 100 3.0-4.7 5.4=64, 3.0/3004=43...(35) Violated in 0 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (1.79, 1.59, 29.87 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-4.1 3.6=82, 1.8/2995=34...(34) * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.6-4.0 3.6=82, 1.8/2995=34...(34) HB3 GLN 28 - HD3 LYS 19 far 0 99 0 - 7.0-13.2 HB3 GLN 28 - HD2 LYS 19 far 0 99 0 - 7.6-12.9 HB VAL 32 - HD3 LYS 19 far 0 87 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (1.83, 1.59, 29.87 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-3.6 3.6=91, 1.8/2994=38...(34) * HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-4.2 3.6=91, 1.8/3004=38...(35) HB ILE 57 - HD2 LYS 19 poor 18 90 20 - 4.7-7.2 HB ILE 18 - HD2 LYS 19 far 13 84 15 - 3.8-6.8 HB ILE 18 - HD3 LYS 19 far 4 84 5 - 4.8-7.4 HB ILE 57 - HD3 LYS 19 far 0 90 0 - 5.5-8.3 HB2 LEU 14 - HD2 LYS 19 far 0 90 0 - 7.4-9.9 HB2 LEU 14 - HD3 LYS 19 far 0 90 0 - 7.7-11.2 QE MET 121 - HD2 LYS 19 far 0 99 0 - 8.5-14.7 QE MET 121 - HD3 LYS 19 far 0 99 0 - 8.8-15.0 Violated in 0 structures by 0.00 A. 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 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASN 33 - HD3 LYS 19 far 0 92 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 3001 from cnoeabs.peaks (2.70, 1.59, 29.87 ppm; 3.60 A): 4 out of 5 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASN 33 - HD3 LYS 19 far 0 92 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 3002 from cnoeabs.peaks (8.53, 1.59, 29.87 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: H LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-4.7 1131/3.6=77, 1133/3.0=69...(22) * H LYS 19 + HD3 LYS 19 OK 100 100 100 100 3.3-5.2 1131/3.6=77, 1133/3.0=69...(21) H ILE 57 - HD2 LYS 19 far 0 94 0 - 6.6-9.6 H ILE 57 - HD3 LYS 19 far 0 94 0 - 7.2-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.6 5.4=64, 3.0/2994=43...(35) HA LYS 19 + HD2 LYS 19 OK 100 100 100 100 3.0-4.7 5.4=64, 3.0/3004=43...(35) Violated in 0 structures by 0.00 A. Peak 3004 from cnoeabs.peaks (1.79, 1.59, 29.87 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-4.1 3.6=82, 1.8/2995=34...(34) HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.6-4.0 3.6=82, 1.8/2995=34...(34) HB3 GLN 28 - HD3 LYS 19 far 0 99 0 - 7.0-13.2 HB3 GLN 28 - HD2 LYS 19 far 0 99 0 - 7.6-12.9 HB VAL 32 - HD3 LYS 19 far 0 87 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 3005 from cnoeabs.peaks (1.83, 1.59, 29.87 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.0-3.6 3.6=91, 1.8/2994=38...(34) HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-4.2 3.6=91, 1.8/3004=38...(35) HB ILE 57 - HD2 LYS 19 poor 18 90 20 - 4.7-7.2 HB ILE 18 - HD2 LYS 19 far 13 84 15 - 3.8-6.8 HB ILE 18 - HD3 LYS 19 far 4 84 5 - 4.8-7.4 HB ILE 57 - HD3 LYS 19 far 0 90 0 - 5.5-8.3 HB2 LEU 14 - HD2 LYS 19 far 0 90 0 - 7.4-9.9 HB2 LEU 14 - HD3 LYS 19 far 0 90 0 - 7.7-11.2 QE MET 121 - HD2 LYS 19 far 0 99 0 - 8.5-14.7 QE MET 121 - HD3 LYS 19 far 0 99 0 - 8.8-15.0 Violated in 0 structures by 0.00 A. 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 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASN 33 - HD3 LYS 19 far 0 92 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (2.70, 1.59, 29.87 ppm; 3.60 A): 4 out of 5 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASN 33 - HD3 LYS 19 far 0 92 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (8.53, 2.70, 41.78 ppm; 6.20 A): 4 out of 4 assignments used, quality = 1.00: * H LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-6.5 1131/5.0=89, 1133/4.0=88...(19) H LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-6.0 1131/5.0=89, 1133/4.0=88...(20) H ILE 57 + HE3 LYS 19 OK 33 94 55 64 6.1-8.9 4.9/9558=39...(3) H ILE 57 + HE2 LYS 19 OK 29 94 50 61 6.2-10.0 4.9/9558=39...(3) Violated in 0 structures by 0.00 A. Peak 3014 from cnoeabs.peaks (1.79, 2.70, 41.78 ppm; 4.63 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-5.0 5.0=80, 2994/3.0=43...(32) HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.3-5.4 5.0=80, 3004/3.0=43...(32) HB2 LEU 64 - HE2 LYS 61 far 0 68 0 - 7.3-11.1 HB3 GLN 28 - HE2 LYS 19 far 0 99 0 - 7.5-11.7 HB VAL 32 - HE3 LYS 19 far 0 87 0 - 8.5-11.7 HB3 GLN 28 - HE3 LYS 19 far 0 99 0 - 8.6-12.7 HB VAL 32 - HE2 LYS 19 far 0 87 0 - 8.6-13.2 HB2 LEU 90 - HE2 LYS 61 far 0 53 0 - 8.9-15.9 HG12 ILE 5 - HE2 LYS 19 far 0 61 0 - 9.5-15.8 HG12 ILE 5 - HE3 LYS 19 far 0 61 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.83, 2.70, 41.78 ppm; 4.71 A): 5 out of 10 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-5.2 5.0=85, 2995/3.0=42...(33) HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.9-4.6 5.0=85, 2995/3.0=42...(33) HB ILE 57 + HE3 LYS 19 OK 68 90 85 89 3.5-6.5 3.2/9558=36...(12) HB ILE 57 + HE2 LYS 19 OK 59 90 75 89 4.1-7.8 3.2/9558=36, ~9558=26...(12) HB ILE 18 + HE3 LYS 19 OK 22 84 40 66 3.1-8.5 7384/7.1=21, 2985/4.0=21...(9) HB ILE 18 - HE2 LYS 19 poor 17 84 20 - 2.9-8.0 HB2 LEU 14 - HE3 LYS 19 far 0 90 0 - 6.9-10.7 HB2 LEU 14 - HE2 LYS 19 far 0 90 0 - 7.0-11.4 QE MET 121 - HE2 LYS 19 far 0 99 0 - 7.7-15.9 QE MET 121 - HE3 LYS 19 far 0 99 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 3016 from cnoeabs.peaks (1.10, 2.70, 41.78 ppm; 3.74 A): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 19 + HE2 LYS 19 OK 99 100 100 99 2.2-4.2 4.0=83, 3.0/3014=21...(28) HG2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.4-3.8 4.0=83, 3.0/3024=21...(28) HD3 LYS 61 + HE2 LYS 61 OK 68 68 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3017 from cnoeabs.peaks (1.60, 2.70, 41.78 ppm; 3.28 A): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 95 100 100 95 2.4-4.2 4.0=56, 1.8/3016=21...(26) * HG3 LYS 19 + HE2 LYS 19 OK 95 100 100 95 2.5-3.8 4.0=56, 1.8/3026=21...(26) HG LEU 82 - HE2 LYS 61 far 0 68 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 95 100 100 95 2.4-4.2 4.0=56, 1.8/3016=21...(26) HG3 LYS 19 + HE2 LYS 19 OK 95 100 100 95 2.5-3.8 4.0=56, 1.8/3026=21...(26) HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 6 out of 7 assignments used, quality = 1.00: * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 95 100 100 95 2.4-4.2 4.0=56, 1.8/3016=21...(26) HG3 LYS 19 + HE2 LYS 19 OK 95 100 100 95 2.5-3.8 4.0=56, 1.8/3026=21...(26) HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. 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): 4 out of 4 assignments used, quality = 1.00: H LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-6.5 1131/5.0=89, 1133/4.0=88...(19) * H LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-6.0 1131/5.0=89, 1133/4.0=88...(20) H ILE 57 + HE3 LYS 19 OK 33 94 55 64 6.1-8.9 4.9/9558=39...(3) H ILE 57 + HE2 LYS 19 OK 29 94 50 61 6.2-10.0 4.9/9558=39...(3) Violated in 0 structures by 0.00 A. Peak 3024 from cnoeabs.peaks (1.79, 2.70, 41.78 ppm; 4.63 A): 2 out of 10 assignments used, quality = 1.00: HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-5.0 5.0=80, 2994/3.0=43...(32) * HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.3-5.4 5.0=80, 3004/3.0=43...(32) HB2 LEU 64 - HE2 LYS 61 far 0 68 0 - 7.3-11.1 HB3 GLN 28 - HE2 LYS 19 far 0 99 0 - 7.5-11.7 HB VAL 32 - HE3 LYS 19 far 0 87 0 - 8.5-11.7 HB3 GLN 28 - HE3 LYS 19 far 0 99 0 - 8.6-12.7 HB VAL 32 - HE2 LYS 19 far 0 87 0 - 8.6-13.2 HB2 LEU 90 - HE2 LYS 61 far 0 53 0 - 8.9-15.9 HG12 ILE 5 - HE2 LYS 19 far 0 61 0 - 9.5-15.8 HG12 ILE 5 - HE3 LYS 19 far 0 61 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.83, 2.70, 41.78 ppm; 4.71 A): 5 out of 10 assignments used, quality = 1.00: HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.9-5.2 5.0=85, 2995/3.0=42...(33) * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 3.9-4.6 5.0=85, 2995/3.0=42...(33) HB ILE 57 + HE3 LYS 19 OK 68 90 85 89 3.5-6.5 3.2/9558=36...(12) HB ILE 57 + HE2 LYS 19 OK 59 90 75 89 4.1-7.8 3.2/9558=36, ~9558=26...(12) HB ILE 18 + HE3 LYS 19 OK 22 84 40 66 3.1-8.5 7384/7.1=21, 2985/4.0=21...(9) HB ILE 18 - HE2 LYS 19 poor 17 84 20 - 2.9-8.0 HB2 LEU 14 - HE3 LYS 19 far 0 90 0 - 6.9-10.7 HB2 LEU 14 - HE2 LYS 19 far 0 90 0 - 7.0-11.4 QE MET 121 - HE2 LYS 19 far 0 99 0 - 7.7-15.9 QE MET 121 - HE3 LYS 19 far 0 99 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 3026 from cnoeabs.peaks (1.10, 2.70, 41.78 ppm; 3.74 A): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 19 + HE2 LYS 19 OK 99 100 100 99 2.2-4.2 4.0=83, 3.0/3014=21...(28) * HG2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.4-3.8 4.0=83, 3.0/3024=21...(28) HD3 LYS 61 + HE2 LYS 61 OK 68 68 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3027 from cnoeabs.peaks (1.60, 2.70, 41.78 ppm; 3.28 A): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 * HG3 LYS 19 + HE3 LYS 19 OK 95 100 100 95 2.4-4.2 4.0=56, 1.8/3016=21...(26) HG3 LYS 19 + HE2 LYS 19 OK 95 100 100 95 2.5-3.8 4.0=56, 1.8/3026=21...(26) HG LEU 82 - HE2 LYS 61 far 0 68 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. Peak 3028 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 95 100 100 95 2.4-4.2 4.0=56, 1.8/3016=21...(26) HG3 LYS 19 + HE2 LYS 19 OK 95 100 100 95 2.5-3.8 4.0=56, 1.8/3026=21...(26) HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. Peak 3029 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 95 100 100 95 2.4-4.2 4.0=56, 1.8/3016=21...(26) HG3 LYS 19 + HE2 LYS 19 OK 95 100 100 95 2.5-3.8 4.0=56, 1.8/3026=21...(26) HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.2-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LYS 20 + HA LYS 20 OK 99 100 100 99 2.3-3.0 3.0=80, 2.9/3063=36...(28) HB3 LYS 20 + HA LYS 20 OK 99 100 100 99 2.3-3.0 3.0=80, 2.9/3063=36...(28) HB2 LYS 16 - HA LYS 20 far 0 92 0 - 7.2-8.3 HB3 LYS 16 - HA LYS 20 far 0 94 0 - 7.5-8.2 HB3 ARG 118 - HA LYS 20 far 0 61 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 3035 from cnoeabs.peaks (1.89, 4.09, 58.54 ppm; 2.79 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 20 + HA LYS 20 OK 99 100 100 99 2.3-3.0 3.0=80, 2.9/3063=36...(28) * HB3 LYS 20 + HA LYS 20 OK 99 100 100 99 2.3-3.0 3.0=80, 2.9/3063=36...(28) HB2 LYS 16 - HA LYS 20 far 0 92 0 - 7.2-8.3 HB3 LYS 16 - HA LYS 20 far 0 94 0 - 7.5-8.2 HB3 ARG 118 - HA LYS 20 far 0 61 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (1.51, 4.09, 58.54 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.9-3.8 3063=100, 1.8/3037=75...(54) HD3 LYS 17 - HA LYS 20 far 0 90 0 - 9.7-10.9 Violated in 14 structures by 0.10 A. Peak 3037 from cnoeabs.peaks (1.48, 4.09, 58.54 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.7-3.9 3073=89, 1.8/3063=72...(49) HG3 ARG 118 - HA LYS 20 far 0 97 0 - 8.3-14.7 HG12 ILE 57 - HA LYS 20 far 0 73 0 - 9.8-12.2 Violated in 12 structures by 0.28 A. Peak 3038 from cnoeabs.peaks (1.69, 4.09, 58.54 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 20 + HA LYS 20 OK 99 100 100 99 2.2-4.6 3.0/3063=51, 3.0/3037=50...(64) HD3 LYS 20 + HA LYS 20 OK 99 100 100 99 2.8-4.7 3.0/3063=51, 3.0/3037=50...(64) HD2 LYS 16 - HA LYS 20 far 0 100 0 - 8.5-10.7 HD3 LYS 16 - HA LYS 20 far 0 100 0 - 9.3-11.0 HD2 LYS 17 - HA LYS 20 far 0 97 0 - 9.9-10.7 Violated in 10 structures by 0.17 A. Peak 3039 from cnoeabs.peaks (1.69, 4.09, 58.54 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 20 + HA LYS 20 OK 99 100 100 99 2.2-4.6 3.0/3063=51, 3.0/3037=50...(64) * HD3 LYS 20 + HA LYS 20 OK 99 100 100 99 2.8-4.7 3.0/3063=51, 3.0/3037=50...(64) HD2 LYS 16 - HA LYS 20 far 0 100 0 - 8.5-10.7 HD3 LYS 16 - HA LYS 20 far 0 100 0 - 9.3-11.0 HD2 LYS 17 - HA LYS 20 far 0 98 0 - 9.9-10.7 Violated in 10 structures by 0.17 A. Peak 3042 from cnoeabs.peaks (7.30, 1.89, 31.98 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.8-3.6 3.9=58, 1144/2.9=42...(26) H LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.1-3.6 3.9=58, 1144/2.9=42...(26) HE21 GLN 100 - HB2 LYS 96 far 4 44 10 - 4.4-9.8 H LYS 20 - HB2 LYS 16 far 0 65 0 - 5.3-6.1 HE21 GLN 100 - HB3 LYS 73 far 0 53 0 - 5.4-14.3 H LYS 20 - HB3 LYS 16 far 0 69 0 - 5.7-6.3 HE21 GLN 100 - HB2 LYS 73 far 0 52 0 - 6.5-14.1 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (4.09, 1.89, 31.98 ppm; 2.70 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 20 + HB2 LYS 20 OK 99 100 100 99 2.3-3.0 3.0=73, 3063/2.9=34...(27) HA LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-3.0 3.0=73, 3063/2.9=34...(27) HA LYS 43 + HB3 LYS 43 OK 76 78 100 98 2.5-2.6 3.0=73, 3814/3.0=35...(20) HA LYS 43 - HB2 LYS 73 far 0 84 0 - 7.1-11.4 HA LYS 20 - HB2 LYS 16 far 0 65 0 - 7.2-8.3 HA LYS 20 - HB3 LYS 16 far 0 69 0 - 7.5-8.2 HA GLU 91 - HB2 LYS 96 far 0 53 0 - 8.0-9.7 HA LYS 43 - HB3 LYS 73 far 0 86 0 - 8.2-11.0 HA GLN 62 - HB2 LYS 96 far 0 41 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. 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 16 assignments used, quality = 1.00: HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 43 + HB3 LYS 43 OK 72 72 100 100 2.7-3.0 3.0=100 HG2 LYS 20 - HB2 LYS 16 far 3 65 5 - 4.1-9.0 HG2 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.7-8.9 HD3 LYS 17 - HB2 LYS 16 far 0 52 0 - 4.7-8.0 HD3 LYS 17 - HB3 LYS 16 far 0 56 0 - 4.9-9.2 HB2 LYS 61 - HB2 LYS 96 far 0 60 0 - 7.0-9.7 HD3 LYS 17 - HB2 LYS 20 far 0 90 0 - 7.2-9.7 HB3 LEU 14 - HB3 LYS 16 far 0 62 0 - 7.2-9.1 HB3 LEU 14 - HB2 LYS 16 far 0 58 0 - 7.2-9.3 HD3 LYS 17 - HB3 LYS 20 far 0 90 0 - 7.3-10.0 HG2 LYS 43 - HB2 LYS 73 far 0 78 0 - 7.5-11.3 HG2 LYS 43 - HB3 LYS 73 far 0 80 0 - 8.3-10.9 HG LEU 38 - HB3 LYS 43 far 0 53 0 - 8.3-9.0 HB3 LEU 14 - HB3 LYS 20 far 0 96 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (1.48, 1.89, 31.98 ppm; 2.82 A): 4 out of 17 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-3.0 2.9=92, 3037/3.0=35...(65) HG3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.2-3.0 2.9=92, 3037/3.0=35...(64) HG3 LYS 73 + HB3 LYS 73 OK 86 86 100 100 2.3-3.0 2.9=96, 5128/3.0=31...(60) HG3 LYS 73 + HB2 LYS 73 OK 84 84 100 100 2.3-3.0 2.9=96, 5128/3.0=31...(62) HB2 LEU 74 - HB2 LYS 73 far 0 72 0 - 4.5-6.8 HG3 LYS 20 - HB2 LYS 16 far 0 65 0 - 4.6-9.3 HG3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.9-9.2 HB2 LEU 74 - HB3 LYS 73 far 0 74 0 - 4.9-7.2 HG2 LYS 39 - HB3 LYS 43 far 0 41 0 - 6.2-8.7 HG3 ARG 118 - HB2 LYS 20 far 0 97 0 - 7.6-15.7 HB3 LEU 45 - HB3 LYS 43 far 0 66 0 - 8.2-8.6 HG3 ARG 118 - HB3 LYS 20 far 0 97 0 - 8.3-14.4 HB2 LEU 74 - HB3 LYS 43 far 0 66 0 - 9.0-11.1 HG3 LYS 73 - HB3 LYS 43 far 0 78 0 - 9.3-12.6 HB3 LEU 45 - HB2 LYS 73 far 0 72 0 - 9.5-13.8 HG2 LYS 106 - HB2 LYS 96 far 0 47 0 - 9.9-14.6 HG2 LYS 49 - HB3 LYS 43 far 0 44 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. Peak 3048 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 47 assignments used, quality = 1.00: * HD2 LYS 20 + HB2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=46, 3078/2.9=23...(76) HD3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=46, 3078/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=46, 3078/2.9=23...(76) HD3 LYS 73 + HB3 LYS 73 OK 83 84 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB2 LYS 73 OK 82 83 100 98 2.1-3.6 3.8=33, 5177/2.9=24...(80) HD3 LYS 73 + HB2 LYS 73 OK 81 82 100 98 2.0-4.0 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 80 85 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD3 LYS 43 + HB3 LYS 43 OK 74 76 100 97 2.7-3.7 3.8=34, 3847/3.0=21...(74) HD3 LYS 96 + HB2 LYS 96 OK 71 71 100 99 3.5-4.1 3.4=46, 6098/1.8=31...(76) HD3 LYS 20 + HB2 LYS 20 OK 69 100 70 99 2.0-4.2 3.4=46, 3078/2.9=23...(76) HD2 LYS 96 + HB2 LYS 96 OK 68 68 100 100 3.5-3.8 3.4=46, 6098/1.8=30...(77) HD2 LYS 16 + HB3 LYS 16 OK 67 69 100 98 2.0-3.6 3.6=40, 2756/3.0=21...(47) HD2 LYS 43 + HB3 LYS 43 OK 67 68 100 97 2.0-3.3 3.8=34, 3847/3.0=21...(75) HD3 LYS 16 + HB3 LYS 16 OK 64 69 95 98 3.2-4.2 3.6=40, 2757/3.0=21...(47) HD2 LYS 16 + HB2 LYS 16 OK 64 65 100 98 2.3-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 57 65 90 98 2.2-4.2 3.6=40, 2757/3.0=21...(47) HG LEU 74 - HB2 LYS 73 poor 17 55 30 - 3.3-7.2 HD2 LYS 40 - HB3 LYS 43 poor 15 74 20 - 3.7-7.2 HD3 LYS 40 - HB3 LYS 43 lone 4 72 45 12 3.8-7.6 3654/8066=7, 1279/4.0=3 HD3 LYS 20 - HB3 LYS 16 far 3 69 5 - 4.1-7.8 HD3 LYS 20 - HB2 LYS 16 far 3 65 5 - 4.2-7.9 HG LEU 74 - HB3 LYS 73 far 3 57 5 - 4.1-7.3 HD2 LYS 39 - HB3 LYS 43 far 0 44 0 - 4.5-9.9 HG3 ARG 95 - HB2 LYS 96 far 0 58 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 63 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 60 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.2-9.2 HD3 LYS 39 - HB3 LYS 43 far 0 47 0 - 5.6-9.3 HD3 LYS 43 - HB2 LYS 73 far 0 82 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 64 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 53 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 59 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 82 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 75 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 76 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 80 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 50 0 - 7.2-9.4 HD2 LYS 17 - HB3 LYS 20 far 0 97 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 84 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 97 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 76 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 8.4-10.7 HD2 LYS 73 - HB3 LYS 43 far 0 77 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 47 assignments used, quality = 1.00: HD2 LYS 20 + HB2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=46, 3079/2.9=23...(76) HD3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=46, 3079/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=46, 3079/2.9=23...(76) HD3 LYS 73 + HB3 LYS 73 OK 84 85 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB2 LYS 73 OK 82 84 100 98 2.1-3.6 3.8=33, 5177/2.9=24...(80) HD3 LYS 73 + HB2 LYS 73 OK 82 83 100 98 2.0-4.0 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 80 86 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD3 LYS 43 + HB3 LYS 43 OK 75 77 100 97 2.7-3.7 3.8=34, 3847/3.0=21...(74) HD3 LYS 96 + HB2 LYS 96 OK 72 72 100 100 3.5-4.1 3.4=46, 6098/1.8=31...(76) HD2 LYS 96 + HB2 LYS 96 OK 70 70 100 100 3.5-3.8 3.4=46, 6098/1.8=31...(77) * HD3 LYS 20 + HB2 LYS 20 OK 69 100 70 99 2.0-4.2 3.4=46, 3079/2.9=23...(76) HD2 LYS 43 + HB3 LYS 43 OK 68 70 100 97 2.0-3.3 3.8=34, 3847/3.0=21...(75) HD2 LYS 16 + HB3 LYS 16 OK 68 69 100 98 2.0-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB3 LYS 16 OK 64 69 95 98 3.2-4.2 3.6=40, 2757/3.0=21...(47) HD2 LYS 16 + HB2 LYS 16 OK 64 65 100 98 2.3-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 57 65 90 98 2.2-4.2 3.6=40, 2757/3.0=21...(47) HG LEU 74 - HB2 LYS 73 poor 16 52 30 - 3.3-7.2 HD2 LYS 40 - HB3 LYS 43 poor 15 75 20 - 3.7-7.2 HD3 LYS 40 - HB3 LYS 43 lone 4 74 45 12 3.8-7.6 3654/8066=7, 1279/4.0=3 HD3 LYS 20 - HB3 LYS 16 far 3 69 5 - 4.1-7.8 HD3 LYS 20 - HB2 LYS 16 far 3 65 5 - 4.2-7.9 HG LEU 74 - HB3 LYS 73 far 3 53 5 - 4.1-7.3 HD2 LYS 39 - HB3 LYS 43 far 0 41 0 - 4.5-9.9 HG3 ARG 95 - HB2 LYS 96 far 0 60 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 65 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 61 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.2-9.2 HD3 LYS 39 - HB3 LYS 43 far 0 44 0 - 5.6-9.3 HD3 LYS 43 - HB2 LYS 73 far 0 83 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 61 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 50 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 56 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 80 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 77 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 78 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 78 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 47 0 - 7.2-9.4 HD2 LYS 17 - HB3 LYS 20 far 0 98 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 85 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 98 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 77 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 8.4-10.7 HD2 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 3051 from cnoeabs.peaks (2.96, 1.89, 31.98 ppm; 3.94 A): 10 out of 30 assignments used, quality = 1.00: HE3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.1-5.1 4.8=54, 3071/2.9=34...(101) HE2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.2-5.1 4.8=54, 3071/2.9=34...(101) * HE3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 3.2-5.1 4.8=54, 3071/2.9=34...(101) HE2 LYS 20 + HB2 LYS 20 OK 95 100 95 100 2.4-5.5 4.8=54, 3071/2.9=34...(101) HE3 LYS 73 + HB3 LYS 73 OK 66 66 100 100 3.8-5.1 4.9=52, 5207/2.9=31...(75) HE3 LYS 73 + HB2 LYS 73 OK 64 64 100 100 3.5-5.0 4.9=52, 5207/2.9=31...(77) HE3 LYS 43 + HB3 LYS 43 OK 64 64 100 100 2.5-4.5 4.7=60, 3884/3.0=24...(77) HE2 LYS 43 + HB3 LYS 43 OK 50 50 100 100 1.9-4.6 4.7=60, 3884/3.0=25...(80) HE2 LYS 73 + HB3 LYS 73 OK 50 50 100 100 3.8-5.1 4.9=52, 5207/2.9=30...(78) HE2 LYS 73 + HB2 LYS 73 OK 44 48 90 100 2.6-5.5 4.9=52, 5207/2.9=30...(80) HE3 LYS 20 - HB2 LYS 16 poor 16 65 25 - 3.1-10.7 HE3 LYS 20 - HB3 LYS 16 poor 14 69 20 - 3.5-10.4 HE2 LYS 20 - HB3 LYS 16 poor 14 69 20 - 4.2-10.6 HE2 LYS 20 - HB2 LYS 16 poor 13 65 20 - 3.3-10.6 HE2 LYS 40 - HB3 LYS 43 far 11 76 15 - 5.3-8.5 HE3 LYS 39 - HB3 LYS 43 far 7 47 15 - 3.6-10.4 HE2 LYS 39 - HB3 LYS 43 far 5 53 10 - 4.2-10.6 HB2 ASN 24 - HB3 LYS 20 far 5 100 5 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 5 100 5 - 5.3-9.9 HE3 LYS 40 - HB3 LYS 43 far 4 78 5 - 5.4-8.7 HB3 ASN 24 - HB3 LYS 20 far 0 100 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 100 0 - 6.2-10.6 HE3 LYS 73 - HB3 LYS 43 far 0 59 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 55 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 44 0 - 6.9-13.8 HD3 ARG 118 - HB2 LYS 20 far 0 97 0 - 7.5-15.9 HE3 LYS 43 - HB3 LYS 73 far 0 72 0 - 7.6-12.8 HE2 LYS 43 - HB3 LYS 73 far 0 57 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 70 0 - 7.9-13.6 HD3 ARG 118 - HB3 LYS 20 far 0 97 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 3052 from cnoeabs.peaks (7.30, 1.89, 31.98 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: H LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.8-3.6 3.9=58, 1144/2.9=42...(26) * H LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.1-3.6 3.9=58, 1144/2.9=42...(26) HE21 GLN 100 - HB2 LYS 96 far 4 44 10 - 4.4-9.8 H LYS 20 - HB2 LYS 16 far 0 65 0 - 5.3-6.1 HE21 GLN 100 - HB3 LYS 73 far 0 53 0 - 5.4-14.3 H LYS 20 - HB3 LYS 16 far 0 69 0 - 5.7-6.3 HE21 GLN 100 - HB2 LYS 73 far 0 52 0 - 6.5-14.1 Violated in 0 structures by 0.00 A. Peak 3053 from cnoeabs.peaks (4.09, 1.89, 31.98 ppm; 2.70 A): 3 out of 9 assignments used, quality = 1.00: HA LYS 20 + HB2 LYS 20 OK 99 100 100 99 2.3-3.0 3.0=73, 3063/2.9=34...(27) * HA LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-3.0 3.0=73, 3063/2.9=34...(27) HA LYS 43 + HB3 LYS 43 OK 76 78 100 98 2.5-2.6 3.0=73, 3814/3.0=35...(20) HA LYS 43 - HB2 LYS 73 far 0 84 0 - 7.1-11.4 HA LYS 20 - HB2 LYS 16 far 0 65 0 - 7.2-8.3 HA LYS 20 - HB3 LYS 16 far 0 69 0 - 7.5-8.2 HA GLU 91 - HB2 LYS 96 far 0 53 0 - 8.0-9.7 HA LYS 43 - HB3 LYS 73 far 0 86 0 - 8.2-11.0 HA GLN 62 - HB2 LYS 96 far 0 41 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. 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 16 assignments used, quality = 1.00: * HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 43 + HB3 LYS 43 OK 72 72 100 100 2.7-3.0 3.0=100 HG2 LYS 20 - HB2 LYS 16 far 3 65 5 - 4.1-9.0 HG2 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.7-8.9 HD3 LYS 17 - HB2 LYS 16 far 0 52 0 - 4.7-8.0 HD3 LYS 17 - HB3 LYS 16 far 0 56 0 - 4.9-9.2 HB2 LYS 61 - HB2 LYS 96 far 0 60 0 - 7.0-9.7 HD3 LYS 17 - HB2 LYS 20 far 0 90 0 - 7.2-9.7 HB3 LEU 14 - HB3 LYS 16 far 0 62 0 - 7.2-9.1 HB3 LEU 14 - HB2 LYS 16 far 0 58 0 - 7.2-9.3 HD3 LYS 17 - HB3 LYS 20 far 0 90 0 - 7.3-10.0 HG2 LYS 43 - HB2 LYS 73 far 0 78 0 - 7.5-11.3 HG2 LYS 43 - HB3 LYS 73 far 0 80 0 - 8.3-10.9 HG LEU 38 - HB3 LYS 43 far 0 53 0 - 8.3-9.0 HB3 LEU 14 - HB3 LYS 20 far 0 96 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (1.48, 1.89, 31.98 ppm; 2.82 A): 4 out of 17 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-3.0 2.9=92, 3037/3.0=35...(65) * HG3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.2-3.0 2.9=92, 3037/3.0=35...(64) HG3 LYS 73 + HB3 LYS 73 OK 86 86 100 100 2.3-3.0 2.9=96, 5128/3.0=31...(60) HG3 LYS 73 + HB2 LYS 73 OK 84 84 100 100 2.3-3.0 2.9=96, 5128/3.0=31...(62) HB2 LEU 74 - HB2 LYS 73 far 0 72 0 - 4.5-6.8 HG3 LYS 20 - HB2 LYS 16 far 0 65 0 - 4.6-9.3 HG3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.9-9.2 HB2 LEU 74 - HB3 LYS 73 far 0 74 0 - 4.9-7.2 HG2 LYS 39 - HB3 LYS 43 far 0 41 0 - 6.2-8.7 HG3 ARG 118 - HB2 LYS 20 far 0 97 0 - 7.6-15.7 HB3 LEU 45 - HB3 LYS 43 far 0 66 0 - 8.2-8.6 HG3 ARG 118 - HB3 LYS 20 far 0 97 0 - 8.3-14.4 HB2 LEU 74 - HB3 LYS 43 far 0 66 0 - 9.0-11.1 HG3 LYS 73 - HB3 LYS 43 far 0 78 0 - 9.3-12.6 HB3 LEU 45 - HB2 LYS 73 far 0 72 0 - 9.5-13.8 HG2 LYS 106 - HB2 LYS 96 far 0 47 0 - 9.9-14.6 HG2 LYS 49 - HB3 LYS 43 far 0 44 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 47 assignments used, quality = 1.00: HD2 LYS 20 + HB2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=46, 3078/2.9=23...(76) HD3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=46, 3078/2.9=23...(76) * HD2 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=46, 3078/2.9=23...(76) HD3 LYS 73 + HB3 LYS 73 OK 83 84 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB2 LYS 73 OK 82 83 100 98 2.1-3.6 3.8=33, 5177/2.9=24...(80) HD3 LYS 73 + HB2 LYS 73 OK 81 82 100 98 2.0-4.0 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 80 85 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD3 LYS 43 + HB3 LYS 43 OK 74 76 100 97 2.7-3.7 3.8=34, 3847/3.0=21...(74) HD3 LYS 96 + HB2 LYS 96 OK 71 71 100 99 3.5-4.1 3.4=46, 6098/1.8=31...(76) HD3 LYS 20 + HB2 LYS 20 OK 69 100 70 99 2.0-4.2 3.4=46, 3078/2.9=23...(76) HD2 LYS 96 + HB2 LYS 96 OK 68 68 100 100 3.5-3.8 3.4=46, 6098/1.8=30...(77) HD2 LYS 16 + HB3 LYS 16 OK 67 69 100 98 2.0-3.6 3.6=40, 2756/3.0=21...(47) HD2 LYS 43 + HB3 LYS 43 OK 67 68 100 97 2.0-3.3 3.8=34, 3847/3.0=21...(75) HD3 LYS 16 + HB3 LYS 16 OK 64 69 95 98 3.2-4.2 3.6=40, 2757/3.0=21...(47) HD2 LYS 16 + HB2 LYS 16 OK 64 65 100 98 2.3-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 57 65 90 98 2.2-4.2 3.6=40, 2757/3.0=21...(47) HG LEU 74 - HB2 LYS 73 poor 17 55 30 - 3.3-7.2 HD2 LYS 40 - HB3 LYS 43 poor 15 74 20 - 3.7-7.2 HD3 LYS 40 - HB3 LYS 43 lone 4 72 45 12 3.8-7.6 3654/8066=7, 1279/4.0=3 HD3 LYS 20 - HB3 LYS 16 far 3 69 5 - 4.1-7.8 HD3 LYS 20 - HB2 LYS 16 far 3 65 5 - 4.2-7.9 HG LEU 74 - HB3 LYS 73 far 3 57 5 - 4.1-7.3 HD2 LYS 39 - HB3 LYS 43 far 0 44 0 - 4.5-9.9 HG3 ARG 95 - HB2 LYS 96 far 0 58 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 63 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 60 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.2-9.2 HD3 LYS 39 - HB3 LYS 43 far 0 47 0 - 5.6-9.3 HD3 LYS 43 - HB2 LYS 73 far 0 82 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 64 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 53 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 59 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 82 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 75 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 76 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 80 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 50 0 - 7.2-9.4 HD2 LYS 17 - HB3 LYS 20 far 0 97 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 84 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 97 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 76 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 8.4-10.7 HD2 LYS 73 - HB3 LYS 43 far 0 77 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 47 assignments used, quality = 1.00: HD2 LYS 20 + HB2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=46, 3079/2.9=23...(76) * HD3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=46, 3079/2.9=23...(76) HD2 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=46, 3079/2.9=23...(76) HD3 LYS 73 + HB3 LYS 73 OK 84 85 100 98 2.3-3.7 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB2 LYS 73 OK 82 84 100 98 2.1-3.6 3.8=33, 5177/2.9=24...(80) HD3 LYS 73 + HB2 LYS 73 OK 82 83 100 98 2.0-4.0 3.8=33, 5177/2.9=24...(80) HD2 LYS 73 + HB3 LYS 73 OK 80 86 95 98 2.1-4.2 3.8=33, 5177/2.9=24...(80) HD3 LYS 43 + HB3 LYS 43 OK 75 77 100 97 2.7-3.7 3.8=34, 3847/3.0=21...(74) HD3 LYS 96 + HB2 LYS 96 OK 72 72 100 100 3.5-4.1 3.4=46, 6098/1.8=31...(76) HD2 LYS 96 + HB2 LYS 96 OK 70 70 100 100 3.5-3.8 3.4=46, 6098/1.8=31...(77) HD3 LYS 20 + HB2 LYS 20 OK 69 100 70 99 2.0-4.2 3.4=46, 3079/2.9=23...(76) HD2 LYS 43 + HB3 LYS 43 OK 68 70 100 97 2.0-3.3 3.8=34, 3847/3.0=21...(75) HD2 LYS 16 + HB3 LYS 16 OK 68 69 100 98 2.0-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB3 LYS 16 OK 64 69 95 98 3.2-4.2 3.6=40, 2757/3.0=21...(47) HD2 LYS 16 + HB2 LYS 16 OK 64 65 100 98 2.3-3.6 3.6=40, 2756/3.0=21...(47) HD3 LYS 16 + HB2 LYS 16 OK 57 65 90 98 2.2-4.2 3.6=40, 2757/3.0=21...(47) HG LEU 74 - HB2 LYS 73 poor 16 52 30 - 3.3-7.2 HD2 LYS 40 - HB3 LYS 43 poor 15 75 20 - 3.7-7.2 HD3 LYS 40 - HB3 LYS 43 lone 4 74 45 12 3.8-7.6 3654/8066=7, 1279/4.0=3 HD3 LYS 20 - HB3 LYS 16 far 3 69 5 - 4.1-7.8 HD3 LYS 20 - HB2 LYS 16 far 3 65 5 - 4.2-7.9 HG LEU 74 - HB3 LYS 73 far 3 53 5 - 4.1-7.3 HD2 LYS 39 - HB3 LYS 43 far 0 41 0 - 4.5-9.9 HG3 ARG 95 - HB2 LYS 96 far 0 60 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 65 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 61 0 - 4.9-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.2-9.2 HD3 LYS 39 - HB3 LYS 43 far 0 44 0 - 5.6-9.3 HD3 LYS 43 - HB2 LYS 73 far 0 83 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 61 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 50 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 56 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 80 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 77 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 78 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 78 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 47 0 - 7.2-9.4 HD2 LYS 17 - HB3 LYS 20 far 0 98 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 85 0 - 7.3-10.7 HD2 LYS 17 - HB2 LYS 20 far 0 98 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 77 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 8.4-10.7 HD2 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (2.96, 1.89, 31.98 ppm; 3.94 A): 10 out of 30 assignments used, quality = 1.00: * HE3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.1-5.1 4.8=54, 3071/2.9=34...(101) HE2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.2-5.1 4.8=54, 3071/2.9=34...(101) HE3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 3.2-5.1 4.8=54, 3071/2.9=34...(101) HE2 LYS 20 + HB2 LYS 20 OK 95 100 95 100 2.4-5.5 4.8=54, 3071/2.9=34...(101) HE3 LYS 73 + HB3 LYS 73 OK 66 66 100 100 3.8-5.1 4.9=52, 5207/2.9=31...(75) HE3 LYS 73 + HB2 LYS 73 OK 64 64 100 100 3.5-5.0 4.9=52, 5207/2.9=31...(77) HE3 LYS 43 + HB3 LYS 43 OK 64 64 100 100 2.5-4.5 4.7=60, 3884/3.0=24...(77) HE2 LYS 43 + HB3 LYS 43 OK 50 50 100 100 1.9-4.6 4.7=60, 3884/3.0=25...(80) HE2 LYS 73 + HB3 LYS 73 OK 50 50 100 100 3.8-5.1 4.9=52, 5207/2.9=30...(78) HE2 LYS 73 + HB2 LYS 73 OK 44 48 90 100 2.6-5.5 4.9=52, 5207/2.9=30...(80) HE3 LYS 20 - HB2 LYS 16 poor 16 65 25 - 3.1-10.7 HE3 LYS 20 - HB3 LYS 16 poor 14 69 20 - 3.5-10.4 HE2 LYS 20 - HB3 LYS 16 poor 14 69 20 - 4.2-10.6 HE2 LYS 20 - HB2 LYS 16 poor 13 65 20 - 3.3-10.6 HE2 LYS 40 - HB3 LYS 43 far 11 76 15 - 5.3-8.5 HE3 LYS 39 - HB3 LYS 43 far 7 47 15 - 3.6-10.4 HE2 LYS 39 - HB3 LYS 43 far 5 53 10 - 4.2-10.6 HB2 ASN 24 - HB3 LYS 20 far 5 100 5 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 5 100 5 - 5.3-9.9 HE3 LYS 40 - HB3 LYS 43 far 4 78 5 - 5.4-8.7 HB3 ASN 24 - HB3 LYS 20 far 0 100 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 100 0 - 6.2-10.6 HE3 LYS 73 - HB3 LYS 43 far 0 59 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 55 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 44 0 - 6.9-13.8 HD3 ARG 118 - HB2 LYS 20 far 0 97 0 - 7.5-15.9 HE3 LYS 43 - HB3 LYS 73 far 0 72 0 - 7.6-12.8 HE2 LYS 43 - HB3 LYS 73 far 0 57 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 70 0 - 7.9-13.6 HD3 ARG 118 - HB3 LYS 20 far 0 97 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 3062 from cnoeabs.peaks (7.30, 1.51, 24.44 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-4.3 1143=100, 1144/1.8=95...(24) Violated in 0 structures by 0.00 A. Peak 3063 from cnoeabs.peaks (4.09, 1.51, 24.44 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.9-3.8 3036=90, 3037/1.8=70...(52) Violated in 17 structures by 0.20 A. Peak 3064 from cnoeabs.peaks (1.89, 1.51, 24.44 ppm; 2.96 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 16 - HG2 LYS 20 far 5 92 5 - 4.1-9.0 HB3 LYS 16 - HG2 LYS 20 far 0 94 0 - 4.7-8.9 HB3 ARG 118 - HG2 LYS 20 far 0 61 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 3065 from cnoeabs.peaks (1.89, 1.51, 24.44 ppm; 2.96 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 16 - HG2 LYS 20 far 5 92 5 - 4.1-9.0 HB3 LYS 16 - HG2 LYS 20 far 0 94 0 - 4.7-8.9 HB3 ARG 118 - HG2 LYS 20 far 0 61 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 118 - HG2 LYS 20 far 0 97 0 - 7.6-14.5 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.69, 1.51, 24.44 ppm; 2.51 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 20 + HG2 LYS 20 OK 98 100 100 98 2.3-3.0 3.0=62, 3078/1.8=31...(51) * HD2 LYS 20 + HG2 LYS 20 OK 98 100 100 98 2.4-3.0 3.0=62, 3078/1.8=31...(51) HD2 LYS 16 - HG2 LYS 20 far 0 100 0 - 6.8-11.0 HD2 LYS 17 - HG2 LYS 20 far 0 97 0 - 6.8-10.5 HD3 LYS 16 - HG2 LYS 20 far 0 100 0 - 6.9-11.4 Violated in 0 structures by 0.00 A. Peak 3069 from cnoeabs.peaks (1.69, 1.51, 24.44 ppm; 2.51 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 20 + HG2 LYS 20 OK 98 100 100 98 2.3-3.0 3.0=62, 3079/1.8=31...(51) HD2 LYS 20 + HG2 LYS 20 OK 98 100 100 98 2.4-3.0 3.0=62, 3079/1.8=31...(51) HD2 LYS 16 - HG2 LYS 20 far 0 100 0 - 6.8-11.0 HD2 LYS 17 - HG2 LYS 20 far 0 98 0 - 6.8-10.5 HD3 LYS 16 - HG2 LYS 20 far 0 100 0 - 6.9-11.4 Violated in 0 structures by 0.00 A. Peak 3070 from cnoeabs.peaks (2.96, 1.51, 24.44 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.1-4.2 3.9=71, 3.0/3069=35...(90) * HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.4-3.8 3.9=71, 3.0/3069=35...(90) HB2 ASN 24 - HG2 LYS 20 far 5 100 5 - 4.8-11.7 HB3 ASN 24 - HG2 LYS 20 far 0 100 0 - 6.1-12.3 HD3 ARG 118 - HG2 LYS 20 far 0 97 0 - 7.3-14.3 Violated in 0 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (2.96, 1.51, 24.44 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.1-4.2 3.9=71, 3.0/3069=35...(90) HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.4-3.8 3.9=71, 3.0/3069=35...(90) HB2 ASN 24 - HG2 LYS 20 far 5 100 5 - 4.8-11.7 HB3 ASN 24 - HG2 LYS 20 far 0 100 0 - 6.1-12.3 HD3 ARG 118 - HG2 LYS 20 far 0 97 0 - 7.3-14.3 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (7.30, 1.48, 24.44 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-4.4 1144=100, 1143/1.8=90...(24) Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (4.09, 1.48, 24.44 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.7-3.9 3037=100, 3063/1.8=77...(50) Violated in 12 structures by 0.20 A. Peak 3074 from cnoeabs.peaks (1.89, 1.48, 24.44 ppm; 2.92 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-3.0 2.9=100 * HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 16 - HG3 LYS 20 far 0 92 0 - 4.6-9.3 HB3 LYS 16 - HG3 LYS 20 far 0 94 0 - 4.9-9.2 HB3 ARG 118 - HG3 LYS 20 far 0 61 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (1.89, 1.48, 24.44 ppm; 2.92 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 16 - HG3 LYS 20 far 0 92 0 - 4.6-9.3 HB3 LYS 16 - HG3 LYS 20 far 0 94 0 - 4.9-9.2 HB3 ARG 118 - HG3 LYS 20 far 0 61 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (1.51, 1.48, 24.44 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 17 - HG3 LYS 20 far 0 90 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: HD3 LYS 20 + HG3 LYS 20 OK 98 100 100 98 2.3-3.0 3.0=61, 3068/1.8=31...(49) * HD2 LYS 20 + HG3 LYS 20 OK 98 100 100 98 2.3-3.0 3.0=61, 3068/1.8=31...(49) HD2 LYS 16 - HG3 LYS 20 far 0 100 0 - 6.7-11.7 HD3 LYS 16 - HG3 LYS 20 far 0 100 0 - 7.2-11.4 HD2 LYS 17 - HG3 LYS 20 far 0 97 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 3079 from cnoeabs.peaks (1.69, 1.48, 24.44 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 20 + HG3 LYS 20 OK 98 100 100 98 2.3-3.0 3.0=61, 3069/1.8=31...(49) HD2 LYS 20 + HG3 LYS 20 OK 98 100 100 98 2.3-3.0 3.0=61, 3069/1.8=31...(49) HD2 LYS 16 - HG3 LYS 20 far 0 100 0 - 6.7-11.7 HD3 LYS 16 - HG3 LYS 20 far 0 100 0 - 7.2-11.4 HD2 LYS 17 - HG3 LYS 20 far 0 98 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 3080 from cnoeabs.peaks (2.96, 1.48, 24.44 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.1-4.2 3.9=79, 3070/1.8=38...(88) * HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.3-4.2 3.9=79, 3070/1.8=38...(88) HB2 ASN 24 - HG3 LYS 20 far 10 100 10 - 4.0-11.8 HB3 ASN 24 - HG3 LYS 20 far 0 100 0 - 5.2-12.6 HD3 ARG 118 - HG3 LYS 20 far 0 97 0 - 7.3-15.2 Violated in 0 structures by 0.00 A. Peak 3081 from cnoeabs.peaks (2.96, 1.48, 24.44 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.1-4.2 3.9=79, 3070/1.8=38...(88) HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.3-4.2 3.9=79, 3070/1.8=38...(88) HB2 ASN 24 - HG3 LYS 20 far 10 100 10 - 4.0-11.8 HB3 ASN 24 - HG3 LYS 20 far 0 100 0 - 5.2-12.6 HD3 ARG 118 - HG3 LYS 20 far 0 97 0 - 7.3-15.2 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (7.30, 1.69, 28.78 ppm; 5.56 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.5-5.9 1144/3.0=95, 1143/3.0=94...(27) H LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-5.1 1144/3.0=95, 1143/3.0=94...(28) HE21 GLN 100 - HD2 LYS 96 far 8 54 15 - 5.4-12.6 HE21 GLN 100 - HG12 ILE 71 far 3 58 5 - 6.9-12.5 HE21 GLN 100 - HD3 LYS 96 far 0 59 0 - 7.1-13.1 HE21 GLN 100 - HD3 LYS 73 far 0 66 0 - 8.3-14.0 HE21 GLN 100 - HD2 LYS 73 far 0 68 0 - 8.4-14.2 Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (4.09, 1.69, 28.78 ppm; 3.33 A): 4 out of 11 assignments used, quality = 1.00: * HA LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-4.6 3063/3.0=51, 3037/3.0=51...(64) HA LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.8-4.7 3063/3.0=51, 3037/3.0=51...(64) HA LYS 43 + HD3 LYS 43 OK 98 99 100 99 2.5-4.2 3814/2.9=55, 3817=47...(64) HA LYS 43 + HD2 LYS 43 OK 86 87 100 99 2.0-3.8 3814/2.9=55, 3817=46...(69) HA LYS 43 - HD3 LYS 73 far 0 99 0 - 7.2-10.7 HA LYS 43 - HD2 LYS 73 far 0 99 0 - 7.3-11.2 HA GLU 91 - HD2 LYS 96 far 0 64 0 - 7.4-9.6 HA GLU 91 - HD3 LYS 96 far 0 69 0 - 7.4-8.6 HA LYS 43 - HG12 ILE 71 far 0 92 0 - 8.1-10.8 HA GLN 62 - HD3 LYS 96 far 0 55 0 - 9.5-12.4 HA GLN 62 - HD2 LYS 96 far 0 51 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.70 A): 16 out of 55 assignments used, quality = 1.00: * HB2 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=48, 2.9/3078=23...(78) HB3 LYS 20 + HD3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=48, 2.9/3078=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=48, 2.9/3078=23...(78) HB3 LYS 73 + HD2 LYS 73 OK 97 98 100 99 2.1-4.2 3.8=34, 2.9/5177=24...(83) HB2 LYS 73 + HD2 LYS 73 OK 96 98 100 99 2.1-3.6 3.8=34, 2.9/5177=24...(85) HB3 LYS 73 + HD3 LYS 73 OK 96 97 100 99 2.3-3.7 3.8=34, 2.9/5177=24...(83) HB2 LYS 73 + HD3 LYS 73 OK 95 97 100 99 2.0-4.0 3.8=34, 2.9/5177=24...(85) HB3 LYS 43 + HD3 LYS 43 OK 84 86 100 97 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB ILE 71 + HG12 ILE 71 OK 78 88 100 88 2.4-3.0 3.0=71, 1467/1469=18...(8) HB2 LYS 96 + HD3 LYS 96 OK 78 78 100 100 3.5-4.1 3.4=48, 1.8/6098=31...(77) HB2 LYS 20 + HD3 LYS 20 OK 74 100 75 99 2.0-4.2 3.4=48, 2.9/3078=23...(78) HB2 LYS 96 + HD2 LYS 96 OK 73 73 100 100 3.5-3.8 3.4=48, 1.8/6098=31...(78) HB3 LYS 43 + HD2 LYS 43 OK 71 72 100 97 2.0-3.3 3.8=35, 3.0/3847=21...(72) HB2 LYS 43 + HD2 LYS 43 OK 53 54 100 98 3.1-3.8 3.8=35, 3.0/3847=21...(84) HB2 LYS 43 + HD3 LYS 43 OK 52 66 80 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 ARG 95 + HD2 LYS 96 OK 30 81 70 52 2.8-6.0 6028=11, 7789/5.7=9...(13) HB2 ARG 95 - HD3 LYS 96 poor 11 87 25 50 2.5-6.0 6028/1.8=12, 7789/5.7=9...(13) HG2 ARG 95 - HD3 LYS 96 far 10 69 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 10 64 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 9 92 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 5 94 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 80 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 84 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 97 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 64 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 79 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 96 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 90 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 84 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 97 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 77 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 69 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 85 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 93 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 89 0 - 7.1-9.0 HB3 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 57 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 70 0 - 7.7-9.9 HB2 LEU 45 - HD2 LYS 73 far 0 79 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 86 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 77 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 75 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 66 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 88 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 93 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 58 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 89 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 94 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 83 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 62 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 96 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 68 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 90 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3085 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.70 A): 16 out of 55 assignments used, quality = 1.00: HB2 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=48, 2.9/3078=23...(78) HB3 LYS 20 + HD3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=48, 2.9/3078=23...(78) * HB3 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=48, 2.9/3078=23...(78) HB3 LYS 73 + HD2 LYS 73 OK 97 98 100 99 2.1-4.2 3.8=34, 2.9/5177=24...(83) HB2 LYS 73 + HD2 LYS 73 OK 96 98 100 99 2.1-3.6 3.8=34, 2.9/5177=24...(85) HB3 LYS 73 + HD3 LYS 73 OK 96 97 100 99 2.3-3.7 3.8=34, 2.9/5177=24...(83) HB2 LYS 73 + HD3 LYS 73 OK 95 97 100 99 2.0-4.0 3.8=34, 2.9/5177=24...(85) HB3 LYS 43 + HD3 LYS 43 OK 84 86 100 97 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB ILE 71 + HG12 ILE 71 OK 78 88 100 88 2.4-3.0 3.0=71, 1467/1469=18...(8) HB2 LYS 96 + HD3 LYS 96 OK 78 78 100 100 3.5-4.1 3.4=48, 1.8/6098=31...(77) HB2 LYS 20 + HD3 LYS 20 OK 74 100 75 99 2.0-4.2 3.4=48, 2.9/3078=23...(78) HB2 LYS 96 + HD2 LYS 96 OK 73 73 100 100 3.5-3.8 3.4=48, 1.8/6098=31...(78) HB3 LYS 43 + HD2 LYS 43 OK 71 72 100 97 2.0-3.3 3.8=35, 3.0/3847=21...(72) HB2 LYS 43 + HD2 LYS 43 OK 53 54 100 98 3.1-3.8 3.8=35, 3.0/3847=21...(84) HB2 LYS 43 + HD3 LYS 43 OK 52 66 80 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 ARG 95 + HD2 LYS 96 OK 30 81 70 52 2.8-6.0 6028=11, 7789/5.7=9...(13) HB2 ARG 95 - HD3 LYS 96 poor 11 87 25 50 2.5-6.0 6028/1.8=12, 7789/5.7=9...(13) HG2 ARG 95 - HD3 LYS 96 far 10 69 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 10 64 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 9 92 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 5 94 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 80 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 84 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 97 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 64 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 79 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 96 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 90 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 84 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 97 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 77 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 69 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 85 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 93 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 89 0 - 7.1-9.0 HB3 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 57 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 70 0 - 7.7-9.9 HB2 LEU 45 - HD2 LYS 73 far 0 79 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 86 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 77 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 75 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 66 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 88 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 93 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 58 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 89 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 94 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 83 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 62 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 96 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 68 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 90 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (1.51, 1.69, 28.78 ppm; 2.40 A): 4 out of 17 assignments used, quality = 1.00: HG2 LYS 20 + HD3 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 1.8/3078=28...(39) * HG2 LYS 20 + HD2 LYS 20 OK 96 100 100 96 2.4-3.0 3.0=54, 1.8/3078=28...(39) HG2 LYS 43 + HD3 LYS 43 OK 90 94 100 96 2.3-2.5 2.9=56, 3846/1.8=25...(34) HG2 LYS 43 + HD2 LYS 43 OK 78 81 100 96 2.4-3.0 2.9=56, 3847/1.8=25...(38) HB2 LEU 6 - HG12 ILE 71 far 0 91 0 - 4.5-6.6 HG LEU 6 - HG12 ILE 71 far 0 69 0 - 5.2-7.0 HG2 LYS 43 - HD3 LYS 73 far 0 94 0 - 6.5-10.4 HG LEU 38 - HG12 ILE 71 far 0 65 0 - 6.9-9.3 HG2 LYS 43 - HD2 LYS 73 far 0 96 0 - 7.7-11.0 HG LEU 38 - HD3 LYS 43 far 0 74 0 - 7.8-9.0 HG LEU 38 - HD2 LYS 43 far 0 61 0 - 7.8-9.5 HB2 LYS 61 - HD3 LYS 96 far 0 78 0 - 8.0-12.2 HD3 LYS 17 - HD2 LYS 20 far 0 90 0 - 8.0-11.2 HG2 LYS 43 - HG12 ILE 71 far 0 86 0 - 8.2-10.5 HD3 LYS 17 - HD3 LYS 20 far 0 89 0 - 8.4-10.6 HB2 LYS 61 - HD2 LYS 96 far 0 73 0 - 8.8-12.1 QB ALA 124 - HG12 ILE 71 far 0 91 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (1.48, 1.69, 28.78 ppm; 2.40 A): 4 out of 24 assignments used, quality = 1.00: HG3 LYS 73 + HD2 LYS 73 OK 97 99 100 98 2.3-3.0 3.0=53, 1.8/5177=29...(42) HG3 LYS 73 + HD3 LYS 73 OK 96 98 100 98 2.4-3.0 3.0=53, 1.8/5177=29...(39) HG3 LYS 20 + HD3 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 3078/1.8=28...(37) * HG3 LYS 20 + HD2 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 3079/1.8=28...(37) HB2 LEU 74 - HD3 LYS 73 far 4 89 5 - 3.7-8.8 HB2 LEU 74 - HD2 LYS 73 far 0 90 0 - 4.1-8.5 HB2 LEU 74 - HG12 ILE 71 far 0 80 0 - 5.1-8.4 HB3 LEU 6 - HG12 ILE 71 far 0 55 0 - 5.8-8.0 HG3 LYS 73 - HG12 ILE 71 far 0 91 0 - 6.0-9.6 HG2 LYS 39 - HD3 LYS 43 far 0 58 0 - 6.1-9.5 HG3 LYS 73 - HD3 LYS 43 far 0 98 0 - 6.4-9.9 HG2 LYS 39 - HD2 LYS 43 far 0 47 0 - 6.7-9.4 HB2 LEU 74 - HD2 LYS 43 far 0 75 0 - 7.1-11.5 HB2 LEU 74 - HD3 LYS 43 far 0 89 0 - 7.2-10.2 HB3 LEU 38 - HG12 ILE 71 far 0 65 0 - 7.2-10.1 HG3 LYS 73 - HD2 LYS 43 far 0 86 0 - 7.4-11.7 HB3 LEU 45 - HG12 ILE 71 far 0 80 0 - 7.6-11.1 HB3 LEU 45 - HD2 LYS 43 far 0 75 0 - 8.1-10.3 HB3 LEU 45 - HD3 LYS 43 far 0 89 0 - 8.6-10.9 HG12 ILE 57 - HD3 LYS 20 far 0 73 0 - 9.2-15.5 HB3 LEU 45 - HD2 LYS 73 far 0 90 0 - 9.4-14.0 HG3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.8-16.2 HG12 ILE 57 - HD2 LYS 20 far 0 73 0 - 9.9-15.5 HB3 LEU 45 - HD3 LYS 73 far 0 89 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. 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): 12 out of 38 assignments used, quality = 1.00: HE3 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=61, 3070/3.0=14...(47) * HE2 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=61, 3070/3.0=14...(47) HE3 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=61, 3070/3.0=14...(47) HE2 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=61, 3070/3.0=14...(47) HE3 LYS 43 + HD3 LYS 43 OK 79 86 100 91 2.5-3.0 3.0=61, 3.9/3847=12...(42) HE3 LYS 73 + HD2 LYS 73 OK 77 82 100 94 2.3-3.0 2.9=65, 5207/3.0=13...(39) HE3 LYS 73 + HD3 LYS 73 OK 75 80 100 94 2.5-3.0 2.9=65, 5207/3.0=13...(39) HE3 LYS 43 + HD2 LYS 43 OK 66 72 100 92 2.3-3.0 3.0=61, 3.9/3847=12...(44) HE2 LYS 43 + HD3 LYS 43 OK 65 70 100 93 2.3-3.0 3.0=61, 3.9/3847=12...(48) HE2 LYS 73 + HD2 LYS 73 OK 60 64 100 94 2.5-3.0 2.9=65, 3.8/5177=13...(47) HE2 LYS 73 + HD3 LYS 73 OK 59 62 100 94 2.3-3.0 2.9=65, 3.8/5177=13...(47) HE2 LYS 43 + HD2 LYS 43 OK 53 57 100 93 2.5-3.0 3.0=61, 3.9/3847=12...(50) HE3 LYS 39 - HD3 LYS 43 far 3 66 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 3 62 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 3 54 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 80 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 61 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 74 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 50 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 86 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 67 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 70 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 85 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 86 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 88 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 71 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 97 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 72 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 55 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 98 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 62 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 66 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.53 A): 12 out of 38 assignments used, quality = 1.00: * HE3 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=61, 3070/3.0=14...(47) HE2 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=61, 3070/3.0=14...(47) HE3 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=61, 3070/3.0=14...(47) HE2 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=61, 3070/3.0=14...(47) HE3 LYS 43 + HD3 LYS 43 OK 79 86 100 91 2.5-3.0 3.0=61, 3.9/3847=12...(42) HE3 LYS 73 + HD2 LYS 73 OK 77 82 100 94 2.3-3.0 2.9=65, 5207/3.0=13...(39) HE3 LYS 73 + HD3 LYS 73 OK 75 80 100 94 2.5-3.0 2.9=65, 5207/3.0=13...(39) HE3 LYS 43 + HD2 LYS 43 OK 66 72 100 92 2.3-3.0 3.0=61, 3.9/3847=12...(44) HE2 LYS 43 + HD3 LYS 43 OK 65 70 100 93 2.3-3.0 3.0=61, 3.9/3847=12...(48) HE2 LYS 73 + HD2 LYS 73 OK 60 64 100 94 2.5-3.0 2.9=65, 3.8/5177=13...(47) HE2 LYS 73 + HD3 LYS 73 OK 59 62 100 94 2.3-3.0 2.9=65, 3.8/5177=13...(47) HE2 LYS 43 + HD2 LYS 43 OK 53 57 100 93 2.5-3.0 3.0=61, 3.9/3847=12...(50) HE3 LYS 39 - HD3 LYS 43 far 3 66 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 3 62 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 3 54 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 80 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 61 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 74 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 50 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 86 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 67 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 70 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 85 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 86 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 88 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 71 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 97 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 72 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 55 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 98 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 62 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 66 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (7.30, 1.69, 28.78 ppm; 6.20 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-5.1 1144/3.0=99, 1143/3.0=99...(28) H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.5-5.9 1144/3.0=99, 1143/3.0=99...(27) HE21 GLN 100 - HD2 LYS 96 poor 14 57 25 - 5.4-12.6 HE21 GLN 100 - HG12 ILE 71 poor 14 56 25 - 6.9-12.5 HE21 GLN 100 - HD3 LYS 96 far 9 60 15 - 7.1-13.1 HE21 GLN 100 - HD3 LYS 73 far 0 68 0 - 8.3-14.0 HE21 GLN 100 - HD2 LYS 73 far 0 69 0 - 8.4-14.2 Violated in 0 structures by 0.00 A. Peak 3093 from cnoeabs.peaks (4.09, 1.69, 28.78 ppm; 3.29 A): 4 out of 11 assignments used, quality = 1.00: * HA LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.8-4.7 3063/3.0=50, 3037/3.0=50...(64) HA LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-4.6 3063/3.0=50, 3037/3.0=50...(64) HA LYS 43 + HD3 LYS 43 OK 99 99 100 99 2.5-4.2 3814/2.9=54, 3817=45...(64) HA LYS 43 + HD2 LYS 43 OK 90 90 100 99 2.0-3.8 3814/2.9=54, 3817=45...(69) HA LYS 43 - HD3 LYS 73 far 0 99 0 - 7.2-10.7 HA LYS 43 - HD2 LYS 73 far 0 100 0 - 7.3-11.2 HA GLU 91 - HD2 LYS 96 far 0 67 0 - 7.4-9.6 HA GLU 91 - HD3 LYS 96 far 0 71 0 - 7.4-8.6 HA LYS 43 - HG12 ILE 71 far 0 89 0 - 8.1-10.8 HA GLN 62 - HD3 LYS 96 far 0 57 0 - 9.5-12.4 HA GLN 62 - HD2 LYS 96 far 0 53 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.72 A): 16 out of 55 assignments used, quality = 1.00: HB3 LYS 20 + HD3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=49, 2.9/3079=24...(78) HB2 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=49, 2.9/3079=24...(78) HB3 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=49, 2.9/3079=24...(78) HB3 LYS 73 + HD2 LYS 73 OK 98 99 100 99 2.1-4.2 3.8=35, 2.9/5177=25...(83) HB2 LYS 73 + HD2 LYS 73 OK 97 98 100 99 2.1-3.6 3.8=35, 2.9/5177=25...(85) HB3 LYS 73 + HD3 LYS 73 OK 97 98 100 99 2.3-3.7 3.8=35, 2.9/5177=25...(83) HB2 LYS 73 + HD3 LYS 73 OK 96 98 100 99 2.0-4.0 3.8=35, 2.9/5177=25...(85) HB3 LYS 43 + HD3 LYS 43 OK 85 88 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) * HB2 LYS 20 + HD3 LYS 20 OK 84 100 85 99 2.0-4.2 3.4=49, 2.9/3079=24...(78) HB2 LYS 96 + HD3 LYS 96 OK 80 80 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB ILE 71 + HG12 ILE 71 OK 76 85 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(8) HB2 LYS 96 + HD2 LYS 96 OK 75 76 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB3 LYS 43 + HD2 LYS 43 OK 74 76 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 43 + HD3 LYS 43 OK 63 68 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 43 + HD2 LYS 43 OK 56 57 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB2 ARG 95 + HD2 LYS 96 OK 32 84 70 54 2.8-6.0 6028=12, 7789/5.7=10...(13) HB2 ARG 95 - HD3 LYS 96 poor 11 88 25 51 2.5-6.0 6028/1.8=13, 7789/5.7=10...(13) HG2 ARG 95 - HD3 LYS 96 far 11 71 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 10 67 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 9 92 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 5 94 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 77 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 82 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 98 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 67 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 83 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 97 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 87 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 87 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 98 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 79 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 66 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 89 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 94 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 86 0 - 7.1-9.0 HB3 LYS 73 - HD3 LYS 43 far 0 98 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 60 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 71 0 - 7.7-9.9 HB2 LEU 45 - HD2 LYS 73 far 0 80 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 88 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 79 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 78 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 68 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 89 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 94 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 56 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 90 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 95 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 86 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 59 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 97 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 69 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 91 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.72 A): 16 out of 55 assignments used, quality = 1.00: * HB3 LYS 20 + HD3 LYS 20 OK 99 100 100 99 2.3-3.8 3.4=49, 2.9/3079=24...(78) HB2 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.2 3.4=49, 2.9/3079=24...(78) HB3 LYS 20 + HD2 LYS 20 OK 99 100 100 99 2.2-4.0 3.4=49, 2.9/3079=24...(78) HB3 LYS 73 + HD2 LYS 73 OK 98 99 100 99 2.1-4.2 3.8=35, 2.9/5177=25...(83) HB2 LYS 73 + HD2 LYS 73 OK 97 98 100 99 2.1-3.6 3.8=35, 2.9/5177=25...(85) HB3 LYS 73 + HD3 LYS 73 OK 97 98 100 99 2.3-3.7 3.8=35, 2.9/5177=25...(83) HB2 LYS 73 + HD3 LYS 73 OK 96 98 100 99 2.0-4.0 3.8=35, 2.9/5177=25...(85) HB3 LYS 43 + HD3 LYS 43 OK 85 88 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 20 + HD3 LYS 20 OK 84 100 85 99 2.0-4.2 3.4=49, 2.9/3079=24...(78) HB2 LYS 96 + HD3 LYS 96 OK 80 80 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB ILE 71 + HG12 ILE 71 OK 76 85 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(8) HB2 LYS 96 + HD2 LYS 96 OK 75 76 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB3 LYS 43 + HD2 LYS 43 OK 74 76 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 43 + HD3 LYS 43 OK 63 68 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 43 + HD2 LYS 43 OK 56 57 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB2 ARG 95 + HD2 LYS 96 OK 32 84 70 54 2.8-6.0 6028=12, 7789/5.7=10...(13) HB2 ARG 95 - HD3 LYS 96 poor 11 88 25 51 2.5-6.0 6028/1.8=13, 7789/5.7=10...(13) HG2 ARG 95 - HD3 LYS 96 far 11 71 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 10 67 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 9 92 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 5 94 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 77 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 82 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 98 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 67 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 83 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 97 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 87 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 87 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 98 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 79 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 66 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 89 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 94 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 86 0 - 7.1-9.0 HB3 LYS 73 - HD3 LYS 43 far 0 98 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 60 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 71 0 - 7.7-9.9 HB2 LEU 45 - HD2 LYS 73 far 0 80 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 88 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 79 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 78 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 68 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 89 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 94 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 56 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 90 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 95 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 86 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 59 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 97 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 69 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 91 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (1.51, 1.69, 28.78 ppm; 2.40 A): 4 out of 17 assignments used, quality = 1.00: * HG2 LYS 20 + HD3 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 1.8/3079=28...(39) HG2 LYS 20 + HD2 LYS 20 OK 96 100 100 96 2.4-3.0 3.0=54, 1.8/3079=28...(39) HG2 LYS 43 + HD3 LYS 43 OK 91 96 100 96 2.3-2.5 2.9=56, 3846/1.8=25...(34) HG2 LYS 43 + HD2 LYS 43 OK 81 85 100 96 2.4-3.0 2.9=56, 3847/1.8=25...(38) HB2 LEU 6 - HG12 ILE 71 far 0 89 0 - 4.5-6.6 HG LEU 6 - HG12 ILE 71 far 0 66 0 - 5.2-7.0 HG2 LYS 43 - HD3 LYS 73 far 0 96 0 - 6.5-10.4 HG LEU 38 - HG12 ILE 71 far 0 63 0 - 6.9-9.3 HG2 LYS 43 - HD2 LYS 73 far 0 96 0 - 7.7-11.0 HG LEU 38 - HD3 LYS 43 far 0 75 0 - 7.8-9.0 HG LEU 38 - HD2 LYS 43 far 0 64 0 - 7.8-9.5 HB2 LYS 61 - HD3 LYS 96 far 0 80 0 - 8.0-12.2 HD3 LYS 17 - HD2 LYS 20 far 0 89 0 - 8.0-11.2 HG2 LYS 43 - HG12 ILE 71 far 0 83 0 - 8.2-10.5 HD3 LYS 17 - HD3 LYS 20 far 0 90 0 - 8.4-10.6 HB2 LYS 61 - HD2 LYS 96 far 0 76 0 - 8.8-12.1 QB ALA 124 - HG12 ILE 71 far 0 89 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (1.48, 1.69, 28.78 ppm; 2.40 A): 4 out of 24 assignments used, quality = 1.00: HG3 LYS 73 + HD2 LYS 73 OK 97 100 100 98 2.3-3.0 3.0=53, 1.8/5177=30...(42) HG3 LYS 73 + HD3 LYS 73 OK 97 99 100 98 2.4-3.0 3.0=53, 1.8/5177=30...(39) * HG3 LYS 20 + HD3 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 3078/1.8=28...(37) HG3 LYS 20 + HD2 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 3079/1.8=28...(37) HB2 LEU 74 - HD3 LYS 73 far 5 90 5 - 3.7-8.8 HB2 LEU 74 - HD2 LYS 73 far 0 91 0 - 4.1-8.5 HB2 LEU 74 - HG12 ILE 71 far 0 77 0 - 5.1-8.4 HB3 LEU 6 - HG12 ILE 71 far 0 52 0 - 5.8-8.0 HG3 LYS 73 - HG12 ILE 71 far 0 89 0 - 6.0-9.6 HG2 LYS 39 - HD3 LYS 43 far 0 60 0 - 6.1-9.5 HG3 LYS 73 - HD3 LYS 43 far 0 99 0 - 6.4-9.9 HG2 LYS 39 - HD2 LYS 43 far 0 50 0 - 6.7-9.4 HB2 LEU 74 - HD2 LYS 43 far 0 78 0 - 7.1-11.5 HB2 LEU 74 - HD3 LYS 43 far 0 90 0 - 7.2-10.2 HB3 LEU 38 - HG12 ILE 71 far 0 63 0 - 7.2-10.1 HG3 LYS 73 - HD2 LYS 43 far 0 90 0 - 7.4-11.7 HB3 LEU 45 - HG12 ILE 71 far 0 77 0 - 7.6-11.1 HB3 LEU 45 - HD2 LYS 43 far 0 78 0 - 8.1-10.3 HB3 LEU 45 - HD3 LYS 43 far 0 90 0 - 8.6-10.9 HG12 ILE 57 - HD3 LYS 20 far 0 73 0 - 9.2-15.5 HB3 LEU 45 - HD2 LYS 73 far 0 91 0 - 9.4-14.0 HG3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.8-16.2 HG12 ILE 57 - HD2 LYS 20 far 0 73 0 - 9.9-15.5 HB3 LEU 45 - HD3 LYS 73 far 0 90 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. 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 38 assignments used, quality = 1.00: HE3 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=62, 3070/3.0=14...(47) HE3 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=62, 3070/3.0=14...(47) * HE2 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=62, 3070/3.0=14...(47) HE2 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=62, 3070/3.0=14...(47) HE3 LYS 43 + HD3 LYS 43 OK 80 88 100 92 2.5-3.0 3.0=62, 3.9/3847=12...(42) HE3 LYS 73 + HD2 LYS 73 OK 78 83 100 94 2.3-3.0 2.9=66, 3.8/5177=13...(39) HE3 LYS 73 + HD3 LYS 73 OK 77 82 100 94 2.5-3.0 2.9=66, 3.8/5177=13...(39) HE3 LYS 43 + HD2 LYS 43 OK 70 76 100 92 2.3-3.0 3.0=62, 3.9/3847=12...(44) HE2 LYS 43 + HD3 LYS 43 OK 66 71 100 93 2.3-3.0 3.0=62, 3.9/3847=12...(48) HE2 LYS 73 + HD2 LYS 73 OK 61 65 100 95 2.5-3.0 2.9=66, 3.8/5177=13...(47) HE2 LYS 73 + HD3 LYS 73 OK 60 64 100 95 2.3-3.0 2.9=66, 3.8/5177=13...(47) HE2 LYS 43 + HD2 LYS 43 OK 56 60 100 93 2.5-3.0 3.0=62, 3.9/3847=12...(50) HE3 LYS 39 - HD3 LYS 43 far 3 68 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 3 64 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 3 57 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 82 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 64 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 75 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 53 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 88 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 70 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 71 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 89 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 90 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 89 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 73 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 98 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 69 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 52 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 99 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 59 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 68 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3101 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.54 A): 12 out of 38 assignments used, quality = 1.00: * HE3 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=62, 3070/3.0=14...(47) HE3 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=62, 3070/3.0=14...(47) HE2 LYS 20 + HD3 LYS 20 OK 95 100 100 95 2.3-3.0 3.0=62, 3070/3.0=14...(47) HE2 LYS 20 + HD2 LYS 20 OK 95 100 100 95 2.4-3.0 3.0=62, 3070/3.0=14...(47) HE3 LYS 43 + HD3 LYS 43 OK 80 88 100 92 2.5-3.0 3.0=62, 3.9/3847=12...(42) HE3 LYS 73 + HD2 LYS 73 OK 78 83 100 94 2.3-3.0 2.9=66, 3.8/5177=13...(39) HE3 LYS 73 + HD3 LYS 73 OK 77 82 100 94 2.5-3.0 2.9=66, 3.8/5177=13...(39) HE3 LYS 43 + HD2 LYS 43 OK 70 76 100 92 2.3-3.0 3.0=62, 3.9/3847=12...(44) HE2 LYS 43 + HD3 LYS 43 OK 66 71 100 93 2.3-3.0 3.0=62, 3.9/3847=12...(48) HE2 LYS 73 + HD2 LYS 73 OK 61 65 100 95 2.5-3.0 2.9=66, 3.8/5177=13...(47) HE2 LYS 73 + HD3 LYS 73 OK 60 64 100 95 2.3-3.0 2.9=66, 3.8/5177=13...(47) HE2 LYS 43 + HD2 LYS 43 OK 56 60 100 93 2.5-3.0 3.0=62, 3.9/3847=12...(50) HE3 LYS 39 - HD3 LYS 43 far 3 68 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 3 64 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 3 57 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 82 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 64 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 75 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 53 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 88 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 70 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 71 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 89 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 90 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 89 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 73 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 98 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 69 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 52 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 99 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 59 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 68 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3105 from cnoeabs.peaks (1.89, 2.96, 41.78 ppm; 3.50 A): 8 out of 38 assignments used, quality = 1.00: * HB3 LYS 20 + HE2 LYS 20 OK 95 100 95 100 2.2-5.1 4.8=38, 2.9/3070=28...(104) HB2 LYS 20 + HE3 LYS 20 OK 95 100 95 100 3.2-5.1 4.8=38, 2.9/3071=28...(104) HB2 LYS 20 + HE2 LYS 20 OK 90 100 90 100 2.4-5.5 4.8=38, 2.9/3071=28...(104) HB3 LYS 20 + HE3 LYS 20 OK 85 100 85 100 2.1-5.1 4.8=38, 2.9/3070=28...(104) HB2 LYS 73 + HE3 LYS 73 OK 65 65 100 100 3.5-5.0 4.9=37, 2.9/5162=21...(78) HB3 LYS 43 + HE3 LYS 43 OK 64 64 100 99 2.5-4.5 4.7=42, 3.0/3849=21...(77) HB3 LYS 73 + HE3 LYS 73 OK 63 66 95 100 3.8-5.1 4.9=37, 2.9/5162=21...(76) HB2 LYS 43 + HE3 LYS 43 OK 42 47 90 99 3.0-5.2 4.7=42, 3.0/3849=21...(83) HB3 LYS 16 - HE2 LYS 20 poor 19 94 20 - 4.2-10.6 HB2 LYS 16 - HE3 LYS 20 poor 18 92 20 - 3.1-10.7 HB3 LYS 16 - HE3 LYS 20 far 14 94 15 - 3.5-10.4 HB2 LYS 16 - HE2 LYS 20 far 14 92 15 - 3.3-10.6 HB2 LYS 43 - HE2 LYS 40 far 7 66 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 40 far 0 69 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 86 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 89 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 70 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 73 0 - 5.8-9.9 HB2 LEU 45 - HE3 LYS 73 far 0 48 0 - 6.6-13.4 HG2 ARG 95 - HE3 LYS 106 far 0 56 0 - 6.7-11.5 HB3 LYS 43 - HE3 LYS 73 far 0 55 0 - 6.9-12.6 HG2 ARG 95 - HE2 LYS 106 far 0 52 0 - 6.9-11.7 HB2 LEU 45 - HE3 LYS 43 far 0 56 0 - 7.1-10.3 HB3 LYS 73 - HE3 LYS 43 far 0 76 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 40 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 71 0 - 7.7-11.0 HB ILE 71 - HE3 LYS 73 far 0 64 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 61 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 75 0 - 7.9-13.6 HB2 ARG 95 - HE2 LYS 106 far 0 68 0 - 8.2-12.9 HB2 ARG 95 - HE3 LYS 106 far 0 72 0 - 8.3-13.0 HB3 LYS 44 - HE3 LYS 43 far 0 50 0 - 8.6-10.7 QE MET 67 - HE2 LYS 40 far 0 89 0 - 8.8-11.2 QE MET 67 - HE3 LYS 43 far 0 66 0 - 9.2-12.1 QE MET 67 - HE3 LYS 40 far 0 91 0 - 9.4-12.1 HB3 ARG 118 - HE2 LYS 20 far 0 61 0 - 9.6-16.8 HG LEU 45 - HE2 LYS 40 far 0 93 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 43 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3106 from cnoeabs.peaks (1.51, 2.96, 41.78 ppm; 3.25 A): 3 out of 11 assignments used, quality = 1.00: HG2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.1-4.2 3.9=58, 3070/1.8=32...(79) * HG2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.4-3.8 3.9=58, 3070/1.8=32...(79) HG2 LYS 43 + HE3 LYS 43 OK 72 72 100 100 2.6-4.2 3.9=57, 3846/3.0=30...(90) HG2 LYS 43 - HE2 LYS 40 far 0 94 0 - 5.6-9.5 HG2 LYS 43 - HE3 LYS 73 far 0 63 0 - 5.7-10.6 HG2 LYS 43 - HE3 LYS 40 far 0 96 0 - 6.7-10.2 HD3 LYS 17 - HE2 LYS 20 far 0 90 0 - 6.8-11.9 HG LEU 38 - HE3 LYS 43 far 0 53 0 - 7.0-10.4 HG LEU 38 - HE2 LYS 40 far 0 74 0 - 7.2-10.3 HG LEU 38 - HE3 LYS 40 far 0 76 0 - 7.5-11.2 HD3 LYS 17 - HE3 LYS 20 far 0 90 0 - 7.6-11.8 Violated in 0 structures by 0.00 A. Peak 3107 from cnoeabs.peaks (1.48, 2.96, 41.78 ppm; 3.02 A): 5 out of 18 assignments used, quality = 1.00: HG3 LYS 20 + HE3 LYS 20 OK 98 100 100 98 2.1-4.2 3.9=47, 3079/3.0=28...(67) * HG3 LYS 20 + HE2 LYS 20 OK 98 100 100 98 2.3-4.2 3.9=47, 3079/3.0=28...(67) HG3 LYS 73 + HE3 LYS 73 OK 67 68 100 99 2.1-3.7 3.8=51, 5170/2.9=28...(79) HG2 LYS 106 + HE3 LYS 106 OK 47 50 100 93 2.8-4.2 3.6=59, 1.8/6530=20...(23) HG2 LYS 106 + HE2 LYS 106 OK 43 46 100 93 2.1-4.2 3.6=59, 1.8/6530=20...(23) HG2 LYS 39 - HE3 LYS 40 poor 15 61 25 - 3.4-8.3 HG2 LYS 39 - HE2 LYS 40 poor 8 58 40 35 3.0-7.7 1.8/3606=5, 2.9/3731=3...(19) HB2 LEU 74 - HE3 LYS 73 far 0 57 0 - 4.6-10.6 HG2 LYS 39 - HE3 LYS 43 far 0 41 0 - 5.1-9.3 HG3 LYS 73 - HE3 LYS 43 far 0 78 0 - 7.8-11.8 HB2 LEU 74 - HE3 LYS 43 far 0 66 0 - 7.9-12.7 HB3 LEU 45 - HE3 LYS 73 far 0 57 0 - 8.2-14.9 HB3 LEU 38 - HE2 LYS 40 far 0 74 0 - 8.6-11.4 HB3 LEU 38 - HE3 LYS 40 far 0 76 0 - 8.8-12.3 HB3 LEU 45 - HE3 LYS 43 far 0 66 0 - 8.8-12.0 HG3 ARG 118 - HE3 LYS 20 far 0 97 0 - 8.9-17.6 HG3 ARG 118 - HE2 LYS 20 far 0 97 0 - 9.4-17.5 HB3 LEU 38 - HE3 LYS 43 far 0 53 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 50 assignments used, quality = 1.00: * HD2 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 40 + HE3 LYS 40 OK 90 98 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE3 LYS 40 OK 89 96 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 88 96 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE2 LYS 40 OK 87 94 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 43 + HE3 LYS 43 OK 66 76 100 87 2.5-3.0 3.0=52, 3847/3.9=10...(42) HD2 LYS 73 + HE3 LYS 73 OK 60 67 100 90 2.3-3.0 2.9=56, 5177/3.8=12...(38) HD2 LYS 43 + HE3 LYS 43 OK 60 69 100 87 2.3-3.0 3.0=52, 3847/3.9=10...(41) HD3 LYS 73 + HE3 LYS 73 OK 60 66 100 90 2.5-3.0 2.9=56, 5177/3.8=12...(38) HD2 LYS 39 - HE2 LYS 40 poor 16 62 25 - 3.0-7.8 HG LEU 74 - HE3 LYS 73 poor 13 43 30 - 2.1-9.7 HD3 LYS 39 - HE3 LYS 40 far 3 69 5 - 3.0-8.9 HD3 LYS 39 - HE3 LYS 43 far 2 47 5 - 3.1-9.4 HD3 LYS 39 - HE2 LYS 40 lone 2 66 40 8 2.5-8.8 3.0/3606=2, 3.0/3596=2 HD2 LYS 39 - HE3 LYS 43 far 2 44 5 - 3.5-9.5 HG3 LYS 39 - HE3 LYS 40 far 0 89 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 65 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 86 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 66 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 72 0 - 4.5-9.0 HD2 LYS 40 - HE3 LYS 43 far 0 74 0 - 4.9-10.4 HD3 LYS 44 - HE2 LYS 40 far 0 74 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 76 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 64 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.3-13.1 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.4-12.9 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 76 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 59 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 83 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 80 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 50 0 - 6.1-10.6 HD2 LYS 43 - HE2 LYS 40 far 0 91 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.5-13.3 HG3 ARG 95 - HE3 LYS 106 far 0 62 0 - 6.6-12.5 HD2 LYS 43 - HE3 LYS 40 far 0 93 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 77 0 - 6.9-11.9 HD3 LYS 43 - HE2 LYS 40 far 0 97 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 64 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 97 0 - 7.3-11.3 HG3 ARG 95 - HE2 LYS 106 far 0 57 0 - 7.4-12.8 HD2 LYS 17 - HE3 LYS 20 far 0 97 0 - 7.4-11.5 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 8.3-11.3 HD3 LYS 44 - HE3 LYS 43 far 0 53 0 - 8.6-11.5 HD2 LYS 44 - HE3 LYS 43 far 0 59 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 37 0 - 9.3-16.2 HD3 LYS 39 - HE3 LYS 73 far 0 40 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 3109 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 50 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) * HD3 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 40 + HE3 LYS 40 OK 91 98 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE3 LYS 40 OK 90 98 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 89 97 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE2 LYS 40 OK 88 96 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 43 + HE3 LYS 43 OK 67 77 100 87 2.5-3.0 3.0=52, 3847/3.9=10...(42) HD2 LYS 43 + HE3 LYS 43 OK 62 71 100 87 2.3-3.0 3.0=52, 3847/3.9=10...(41) HD2 LYS 73 + HE3 LYS 73 OK 61 68 100 90 2.3-3.0 2.9=56, 5177/3.8=12...(38) HD3 LYS 73 + HE3 LYS 73 OK 60 67 100 90 2.5-3.0 2.9=56, 5177/3.8=12...(38) HD2 LYS 39 - HE2 LYS 40 poor 15 58 25 - 3.0-7.8 HG LEU 74 - HE3 LYS 73 poor 12 40 30 - 2.1-9.7 HD3 LYS 39 - HE3 LYS 40 far 3 65 5 - 3.0-8.9 HD3 LYS 39 - HE3 LYS 43 far 2 44 5 - 3.1-9.4 HD3 LYS 39 - HE2 LYS 40 lone 2 62 40 8 2.5-8.8 3.0/3606=2, 3.0/3596=2 HD2 LYS 39 - HE3 LYS 43 far 2 41 5 - 3.5-9.5 HG3 LYS 39 - HE3 LYS 40 far 0 86 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 61 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 83 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 67 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 74 0 - 4.5-9.0 HD2 LYS 40 - HE3 LYS 43 far 0 75 0 - 4.9-10.4 HD3 LYS 44 - HE2 LYS 40 far 0 70 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 73 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 62 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.3-13.1 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.4-12.9 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 77 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 61 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 80 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 77 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 47 0 - 6.1-10.6 HD2 LYS 43 - HE2 LYS 40 far 0 93 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.5-13.3 HG3 ARG 95 - HE3 LYS 106 far 0 64 0 - 6.6-12.5 HD2 LYS 43 - HE3 LYS 40 far 0 95 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 78 0 - 6.9-11.9 HD3 LYS 43 - HE2 LYS 40 far 0 98 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 63 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 98 0 - 7.3-11.3 HG3 ARG 95 - HE2 LYS 106 far 0 60 0 - 7.4-12.8 HD2 LYS 17 - HE3 LYS 20 far 0 98 0 - 7.4-11.5 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 8.3-11.3 HD3 LYS 44 - HE3 LYS 43 far 0 50 0 - 8.6-11.5 HD2 LYS 44 - HE3 LYS 43 far 0 56 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 35 0 - 9.3-16.2 HD3 LYS 39 - HE3 LYS 73 far 0 37 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * HG2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.1-4.2 3.9=58, 3070/1.8=32...(79) HG2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.4-3.8 3.9=58, 3070/1.8=32...(79) HG2 LYS 43 + HE3 LYS 43 OK 72 72 100 100 2.6-4.2 3.9=57, 3846/3.0=30...(90) HG2 LYS 43 - HE2 LYS 40 far 0 94 0 - 5.6-9.5 HG2 LYS 43 - HE3 LYS 73 far 0 63 0 - 5.7-10.6 HG2 LYS 43 - HE3 LYS 40 far 0 96 0 - 6.7-10.2 HD3 LYS 17 - HE2 LYS 20 far 0 90 0 - 6.8-11.9 HG LEU 38 - HE3 LYS 43 far 0 53 0 - 7.0-10.4 HG LEU 38 - HE2 LYS 40 far 0 74 0 - 7.2-10.3 HG LEU 38 - HE3 LYS 40 far 0 76 0 - 7.5-11.2 HD3 LYS 17 - HE3 LYS 20 far 0 90 0 - 7.6-11.8 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (1.48, 2.96, 41.78 ppm; 3.02 A): 5 out of 18 assignments used, quality = 1.00: * HG3 LYS 20 + HE3 LYS 20 OK 98 100 100 98 2.1-4.2 3.9=47, 3079/3.0=28...(67) HG3 LYS 20 + HE2 LYS 20 OK 98 100 100 98 2.3-4.2 3.9=47, 3079/3.0=28...(67) HG3 LYS 73 + HE3 LYS 73 OK 67 68 100 99 2.1-3.7 3.8=51, 5170/2.9=28...(79) HG2 LYS 106 + HE3 LYS 106 OK 47 50 100 93 2.8-4.2 3.6=59, 1.8/6530=20...(23) HG2 LYS 106 + HE2 LYS 106 OK 43 46 100 93 2.1-4.2 3.6=59, 1.8/6530=20...(23) HG2 LYS 39 - HE3 LYS 40 poor 15 61 25 - 3.4-8.3 HG2 LYS 39 - HE2 LYS 40 poor 8 58 40 35 3.0-7.7 1.8/3606=5, 2.9/3731=3...(19) HB2 LEU 74 - HE3 LYS 73 far 0 57 0 - 4.6-10.6 HG2 LYS 39 - HE3 LYS 43 far 0 41 0 - 5.1-9.3 HG3 LYS 73 - HE3 LYS 43 far 0 78 0 - 7.8-11.8 HB2 LEU 74 - HE3 LYS 43 far 0 66 0 - 7.9-12.7 HB3 LEU 45 - HE3 LYS 73 far 0 57 0 - 8.2-14.9 HB3 LEU 38 - HE2 LYS 40 far 0 74 0 - 8.6-11.4 HB3 LEU 38 - HE3 LYS 40 far 0 76 0 - 8.8-12.3 HB3 LEU 45 - HE3 LYS 43 far 0 66 0 - 8.8-12.0 HG3 ARG 118 - HE3 LYS 20 far 0 97 0 - 8.9-17.6 HG3 ARG 118 - HE2 LYS 20 far 0 97 0 - 9.4-17.5 HB3 LEU 38 - HE3 LYS 43 far 0 53 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 50 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) * HD2 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 40 + HE3 LYS 40 OK 90 98 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE3 LYS 40 OK 89 96 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 88 96 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE2 LYS 40 OK 87 94 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 43 + HE3 LYS 43 OK 66 76 100 87 2.5-3.0 3.0=52, 3847/3.9=10...(42) HD2 LYS 73 + HE3 LYS 73 OK 60 67 100 90 2.3-3.0 2.9=56, 5177/3.8=12...(38) HD2 LYS 43 + HE3 LYS 43 OK 60 69 100 87 2.3-3.0 3.0=52, 3847/3.9=10...(41) HD3 LYS 73 + HE3 LYS 73 OK 60 66 100 90 2.5-3.0 2.9=56, 5177/3.8=12...(38) HD2 LYS 39 - HE2 LYS 40 poor 16 62 25 - 3.0-7.8 HG LEU 74 - HE3 LYS 73 poor 13 43 30 - 2.1-9.7 HD3 LYS 39 - HE3 LYS 40 far 3 69 5 - 3.0-8.9 HD3 LYS 39 - HE3 LYS 43 far 2 47 5 - 3.1-9.4 HD3 LYS 39 - HE2 LYS 40 lone 2 66 40 8 2.5-8.8 3.0/3606=2, 3.0/3596=2 HD2 LYS 39 - HE3 LYS 43 far 2 44 5 - 3.5-9.5 HG3 LYS 39 - HE3 LYS 40 far 0 89 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 65 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 86 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 66 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 72 0 - 4.5-9.0 HD2 LYS 40 - HE3 LYS 43 far 0 74 0 - 4.9-10.4 HD3 LYS 44 - HE2 LYS 40 far 0 74 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 76 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 64 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.3-13.1 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.4-12.9 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 76 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 59 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 83 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 80 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 50 0 - 6.1-10.6 HD2 LYS 43 - HE2 LYS 40 far 0 91 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.5-13.3 HG3 ARG 95 - HE3 LYS 106 far 0 62 0 - 6.6-12.5 HD2 LYS 43 - HE3 LYS 40 far 0 93 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 77 0 - 6.9-11.9 HD3 LYS 43 - HE2 LYS 40 far 0 97 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 64 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 97 0 - 7.3-11.3 HG3 ARG 95 - HE2 LYS 106 far 0 57 0 - 7.4-12.8 HD2 LYS 17 - HE3 LYS 20 far 0 97 0 - 7.4-11.5 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 8.3-11.3 HD3 LYS 44 - HE3 LYS 43 far 0 53 0 - 8.6-11.5 HD2 LYS 44 - HE3 LYS 43 far 0 59 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 37 0 - 9.3-16.2 HD3 LYS 39 - HE3 LYS 73 far 0 40 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 50 assignments used, quality = 1.00: HD2 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 20 + HE2 LYS 20 OK 92 100 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) * HD3 LYS 20 + HE3 LYS 20 OK 92 100 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 40 + HE3 LYS 40 OK 91 98 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE3 LYS 40 OK 90 98 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 89 97 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE2 LYS 40 OK 88 96 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 43 + HE3 LYS 43 OK 67 77 100 87 2.5-3.0 3.0=52, 3847/3.9=10...(42) HD2 LYS 43 + HE3 LYS 43 OK 62 71 100 87 2.3-3.0 3.0=52, 3847/3.9=10...(41) HD2 LYS 73 + HE3 LYS 73 OK 61 68 100 90 2.3-3.0 2.9=56, 5177/3.8=12...(38) HD3 LYS 73 + HE3 LYS 73 OK 60 67 100 90 2.5-3.0 2.9=56, 5177/3.8=12...(38) HD2 LYS 39 - HE2 LYS 40 poor 15 58 25 - 3.0-7.8 HG LEU 74 - HE3 LYS 73 poor 12 40 30 - 2.1-9.7 HD3 LYS 39 - HE3 LYS 40 far 3 65 5 - 3.0-8.9 HD3 LYS 39 - HE3 LYS 43 far 2 44 5 - 3.1-9.4 HD3 LYS 39 - HE2 LYS 40 lone 2 62 40 8 2.5-8.8 3.0/3606=2, 3.0/3596=2 HD2 LYS 39 - HE3 LYS 43 far 2 41 5 - 3.5-9.5 HG3 LYS 39 - HE3 LYS 40 far 0 86 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 61 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 83 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 67 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 74 0 - 4.5-9.0 HD2 LYS 40 - HE3 LYS 43 far 0 75 0 - 4.9-10.4 HD3 LYS 44 - HE2 LYS 40 far 0 70 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 73 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 62 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.3-13.1 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.4-12.9 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 77 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 61 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 80 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 77 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 47 0 - 6.1-10.6 HD2 LYS 43 - HE2 LYS 40 far 0 93 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.5-13.3 HG3 ARG 95 - HE3 LYS 106 far 0 64 0 - 6.6-12.5 HD2 LYS 43 - HE3 LYS 40 far 0 95 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 78 0 - 6.9-11.9 HD3 LYS 43 - HE2 LYS 40 far 0 98 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 63 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 98 0 - 7.3-11.3 HG3 ARG 95 - HE2 LYS 106 far 0 60 0 - 7.4-12.8 HD2 LYS 17 - HE3 LYS 20 far 0 98 0 - 7.4-11.5 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 8.3-11.3 HD3 LYS 44 - HE3 LYS 43 far 0 50 0 - 8.6-11.5 HD2 LYS 44 - HE3 LYS 43 far 0 56 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 35 0 - 9.3-16.2 HD3 LYS 39 - HE3 LYS 73 far 0 37 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 21 + HA GLU 21 OK 100 100 100 100 2.7-2.7 2.9=100 HE ARG 118 - HA GLU 21 far 15 100 15 - 2.8-10.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLU 21 + HA GLU 21 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 21 + HA GLU 21 OK 83 92 100 90 2.1-3.7 4.0=40, 1.8/3147=22...(17) HG3 GLU 21 + HA GLU 21 OK 78 87 100 90 2.7-4.0 4.0=40, 1.8/3141=22...(18) Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (1.97, 3.96, 58.89 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 21 + HA GLU 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 22 - HA GLU 21 far 0 90 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 3126 from cnoeabs.peaks (2.11, 3.96, 58.89 ppm; 2.98 A): 3 out of 3 assignments used, quality = 1.00: HB2 GLU 21 + HA GLU 21 OK 92 92 100 100 2.6-3.0 3.0=100 HG3 GLU 21 + HA GLU 21 OK 91 100 100 91 2.7-4.0 4.0=41, 1.8/3141=23...(18) * HG2 GLU 21 + HA GLU 21 OK 91 100 100 91 2.1-3.7 4.0=41, 1.8/3147=23...(18) Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (2.10, 3.96, 58.89 ppm; 2.98 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 21 + HA GLU 21 OK 91 100 100 91 2.7-4.0 4.0=41, 1.8/3141=23...(18) HG2 GLU 21 + HA GLU 21 OK 91 100 100 91 2.1-3.7 4.0=41, 1.8/3147=23...(18) HB2 GLU 21 + HA GLU 21 OK 87 87 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (7.67, 2.12, 29.43 ppm; 3.52 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 21 + HB2 GLU 21 OK 99 100 100 99 2.3-3.6 1152/1.8=72, 4.1=65...(15) HE ARG 118 - HB2 GLU 21 far 15 100 15 - 2.0-10.5 Violated in 6 structures by 0.02 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 GLU 21 + HB2 GLU 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 22 - HB2 GLU 21 far 0 90 0 - 5.4-6.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 21 + HB3 GLU 21 OK 100 100 100 100 2.1-3.6 1152=100, 3128/1.8=82...(13) HE ARG 118 - HB3 GLU 21 lone 5 100 30 16 3.7-10.4 11173/3.0=6, 11173/1.8=5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3136 from cnoeabs.peaks (2.12, 1.97, 29.43 ppm; 2.62 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 21 + HB3 GLU 21 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 21 + HB3 GLU 21 OK 78 92 100 84 2.4-3.0 3.0=67, 5.0/1152=13...(11) HG3 GLU 21 + HB3 GLU 21 OK 74 87 100 85 2.3-2.9 3.0=67, 5.0/1152=13...(11) HB2 GLU 119 - HB3 GLU 21 far 0 100 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: HB2 GLU 21 + HB3 GLU 21 OK 92 92 100 100 1.8-1.8 1.8=100 HG3 GLU 21 + HB3 GLU 21 OK 84 100 100 84 2.3-2.9 3.0=64, 5.0/1152=13...(12) * HG2 GLU 21 + HB3 GLU 21 OK 83 100 100 83 2.4-3.0 3.0=64, 5.0/1152=13...(12) HB2 GLU 119 - HB3 GLU 21 far 0 90 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (2.10, 1.97, 29.43 ppm; 2.58 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLU 21 + HB3 GLU 21 OK 87 87 100 100 1.8-1.8 1.8=100 * HG3 GLU 21 + HB3 GLU 21 OK 84 100 100 84 2.3-2.9 3.0=64, 5.0/1152=13...(12) HG2 GLU 21 + HB3 GLU 21 OK 83 100 100 83 2.4-3.0 3.0=64, 5.0/1152=13...(12) HB2 GLU 119 - HB3 GLU 21 far 0 84 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (7.67, 2.11, 35.31 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 21 + HG2 GLU 21 OK 99 100 100 99 1.9-4.3 3128/3.0=59, 1152/3.0=59...(15) H GLU 21 + HG3 GLU 21 OK 99 100 100 99 2.8-4.6 3128/3.0=59, 1152/3.0=59...(15) HE ARG 118 - HG2 GLU 21 far 10 100 10 - 2.9-10.6 HE ARG 118 - HG3 GLU 21 lone 6 100 35 16 4.2-9.5 11173=5, 11173/1.8=5...(4) Violated in 2 structures by 0.01 A. Peak 3141 from cnoeabs.peaks (3.96, 2.11, 35.31 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 21 + HG2 GLU 21 OK 100 100 100 100 2.1-3.7 4.0=83, 3127/1.8=31...(20) HA GLU 21 + HG3 GLU 21 OK 99 100 100 100 2.7-4.0 4.0=83, 3127/1.8=31...(20) Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 GLU 21 + HG2 GLU 21 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 21 + HG3 GLU 21 OK 100 100 100 100 2.3-2.9 3.0=100 HB VAL 22 - HG2 GLU 21 far 0 90 0 - 4.8-8.2 HB VAL 22 - HG3 GLU 21 far 0 89 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H GLU 21 + HG3 GLU 21 OK 99 100 100 99 2.8-4.6 3128/3.0=59, 1152/3.0=59...(15) H GLU 21 + HG2 GLU 21 OK 99 100 100 99 1.9-4.3 3128/3.0=59, 1152/3.0=59...(15) HE ARG 118 - HG2 GLU 21 far 10 100 10 - 2.9-10.6 HE ARG 118 - HG3 GLU 21 lone 6 100 35 16 4.2-9.5 11173=5, 11173/1.8=5...(4) Violated in 2 structures by 0.01 A. Peak 3147 from cnoeabs.peaks (3.96, 2.10, 35.31 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 21 + HG3 GLU 21 OK 100 100 100 100 2.7-4.0 4.0=83, 3127/1.8=31...(20) HA GLU 21 + HG2 GLU 21 OK 99 100 100 100 2.1-3.7 4.0=83, 3127/1.8=31...(20) Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 GLU 21 + HG3 GLU 21 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLU 21 + HG2 GLU 21 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 22 - HG2 GLU 21 far 0 89 0 - 4.8-8.2 HB VAL 22 - HG3 GLU 21 far 0 90 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB VAL 22 + HA VAL 22 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 GLU 21 + HA VAL 22 OK 57 90 85 75 4.1-5.5 11654/3.0=34, ~11655=31...(7) HB2 LYS 17 - HA VAL 22 far 0 94 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 3154 from cnoeabs.peaks (0.85, 4.13, 62.80 ppm; 3.94 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 22 + HA VAL 22 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 VAL 117 - HA VAL 22 far 0 90 0 - 6.2-7.1 HG13 ILE 5 - HA VAL 22 far 0 96 0 - 6.3-8.9 QG2 ILE 5 - HA VAL 22 far 0 84 0 - 6.6-7.8 QG2 ILE 57 - HA VAL 22 far 0 81 0 - 7.8-10.8 HG13 ILE 57 - HA VAL 22 far 0 99 0 - 8.7-11.3 QD1 LEU 14 - HA VAL 22 far 0 99 0 - 9.1-10.4 QG2 ILE 15 - HA VAL 22 far 0 97 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 3155 from cnoeabs.peaks (0.64, 4.13, 62.80 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * QG1 VAL 22 + HA VAL 22 OK 100 100 100 100 2.2-2.5 3.2=100 QD1 ILE 71 - HB2 SER 72 far 8 54 15 - 4.6-6.7 QD1 ILE 71 - HB3 SER 72 far 0 54 0 - 5.3-6.8 QD1 ILE 5 - HA VAL 22 far 0 81 0 - 5.3-8.5 QD1 LEU 4 - HB2 SER 72 far 0 81 0 - 7.5-11.2 QD1 LEU 4 - HB3 SER 72 far 0 81 0 - 8.1-11.4 QD1 ILE 54 - HA VAL 22 far 0 100 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (4.13, 1.98, 29.83 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 22 + HB VAL 22 OK 100 100 100 100 2.4-2.5 3.0=100 HA ARG 95 + HB3 ARG 95 OK 34 34 100 100 2.3-2.7 3.0=100 HA3 GLY 26 - HB VAL 22 far 0 98 0 - 7.3-9.3 HA GLN 122 - HB VAL 22 far 0 100 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (1.98, 1.98, 29.83 ppm; diagonal): 2 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 9 assignments used, quality = 1.00: * QG2 VAL 22 + HB VAL 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 5 - HB VAL 22 far 0 96 0 - 5.4-8.0 QG2 ILE 5 - HB VAL 22 far 0 84 0 - 5.4-7.1 QG2 ILE 57 - HB VAL 22 far 0 81 0 - 6.4-9.9 QG2 VAL 117 - HB VAL 22 far 0 90 0 - 6.5-7.5 HG13 ILE 57 - HB VAL 22 far 0 99 0 - 6.6-9.4 QG2 ILE 15 - HB VAL 22 far 0 97 0 - 8.8-9.4 QD1 LEU 14 - HB VAL 22 far 0 99 0 - 9.3-10.6 QG2 THR 9 - HB VAL 22 far 0 94 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 3159 from cnoeabs.peaks (0.64, 1.98, 29.83 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 22 + HB VAL 22 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 5 - HB VAL 22 far 12 81 15 - 4.3-8.2 QD1 ILE 54 - HB VAL 22 far 0 100 0 - 8.3-10.5 QD1 LEU 4 - HB VAL 22 far 0 99 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 3160 from cnoeabs.peaks (4.13, 0.85, 19.94 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 22 + QG2 VAL 22 OK 100 100 100 100 3.2-3.2 3.2=100 HA3 GLY 26 - QG2 VAL 22 far 0 98 0 - 6.9-8.8 HA GLN 122 - QG2 VAL 22 far 0 100 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (1.98, 0.85, 19.94 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 22 + QG2 VAL 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 21 + QG2 VAL 22 OK 32 90 55 66 4.1-5.5 4.7/10849=26...(7) HB2 LYS 17 - QG2 VAL 22 far 0 94 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * QG1 VAL 22 + QG2 VAL 22 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 5 - QG2 VAL 22 far 0 81 0 - 4.8-8.2 QD1 ILE 54 - QG2 VAL 22 far 0 100 0 - 7.2-8.7 QD1 LEU 4 - QG2 VAL 22 far 0 99 0 - 8.2-10.2 HG13 ILE 15 - QG2 VAL 22 far 0 100 0 - 8.3-10.0 QD1 ILE 71 - QG2 VAL 22 far 0 73 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 3164 from cnoeabs.peaks (4.13, 0.64, 20.11 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 22 + QG1 VAL 22 OK 100 100 100 100 2.2-2.5 3.2=100 HA3 GLY 26 - QG1 VAL 22 far 0 98 0 - 7.6-9.6 HA GLN 122 - QG1 VAL 22 far 0 100 0 - 7.9-10.6 HA ALA 124 - QG1 VAL 22 far 0 87 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3165 from cnoeabs.peaks (1.98, 0.64, 20.11 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 22 + QG1 VAL 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 21 + QG1 VAL 22 OK 64 90 95 75 3.1-4.8 11654/4.0=23...(9) HB2 LYS 17 - QG1 VAL 22 far 0 94 0 - 6.5-8.1 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (0.85, 0.64, 20.11 ppm; 2.96 A): 3 out of 10 assignments used, quality = 1.00: * QG2 VAL 22 + QG1 VAL 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 117 + QG1 VAL 22 OK 32 90 90 40 3.7-4.7 2.1/11117=16, ~11119=6...(11) QG2 ILE 5 + QG1 VAL 22 OK 21 84 65 39 3.7-4.9 2697=10, 3.2/2436=5...(12) HG13 ILE 5 - QG1 VAL 22 far 14 96 15 - 4.0-6.6 QG2 ILE 57 - QG1 VAL 22 far 4 81 5 - 4.4-7.0 HG13 ILE 57 - QG1 VAL 22 far 0 99 0 - 5.0-7.7 QD1 LEU 14 - QG1 VAL 22 far 0 99 0 - 6.1-7.3 QG2 ILE 15 - QG1 VAL 22 far 0 97 0 - 6.4-7.2 QG2 THR 9 - QG1 VAL 22 far 0 94 0 - 6.6-8.1 QG2 VAL 107 - QG1 VAL 22 far 0 81 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 * HA ASN 24 + HB2 ASN 24 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 * HD21 ASN 24 + HB2 ASN 24 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. 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 + HB2 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 24 + HB3 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HA ASN 24 + HB2 ASN 24 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 HD21 ASN 24 + HB2 ASN 24 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. 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 + HB2 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 * HD22 ASN 24 + HB3 ASN 24 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 3217 from cnoeabs.peaks (2.02, 2.38, 33.39 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 25 + HG2 GLN 25 OK 100 100 100 100 2.2-2.7 3.0=100 HG3 GLU 128 - HG2 GLN 25 far 0 97 0 - 8.1-15.0 HG2 GLU 128 - HG2 GLN 25 far 0 97 0 - 8.8-16.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 GLN 25 + HG2 GLN 25 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 122 - HG2 GLN 25 far 0 100 0 - 5.3-10.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.8 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 3223 from cnoeabs.peaks (4.65, 2.52, 33.39 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 25 + HG3 GLN 25 OK 100 100 100 100 2.4-3.9 4.0=100 HA GLN 25 - HG3 GLN 122 far 0 92 0 - 7.3-11.2 Violated in 0 structures by 0.00 A. Peak 3224 from cnoeabs.peaks (2.02, 2.52, 33.39 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 25 + HG3 GLN 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 25 - HG3 GLN 122 far 0 92 0 - 6.8-9.8 HG3 GLU 128 - HG3 GLN 25 far 0 97 0 - 7.3-14.1 HG2 GLU 128 - HG3 GLN 25 far 0 97 0 - 8.4-15.3 HG3 GLU 128 - HG3 GLN 122 far 0 87 0 - 9.1-14.3 HG2 GLU 128 - HG3 GLN 122 far 0 87 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 3225 from cnoeabs.peaks (2.81, 2.52, 33.39 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 25 + HG3 GLN 25 OK 100 100 100 100 2.2-2.7 3.0=100 HB3 GLN 25 - HG3 GLN 122 far 0 92 0 - 6.1-10.4 HE2 LYS 77 - HG3 GLN 122 far 0 81 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3226 from cnoeabs.peaks (2.38, 2.52, 33.39 ppm; 2.45 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 25 + HG3 GLN 25 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 27 - HG3 GLN 25 far 0 90 0 - 5.2-8.0 HG2 GLN 25 - HG3 GLN 122 far 0 92 0 - 5.3-10.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE21 GLN 25 + HG3 GLN 25 OK 100 100 100 100 2.3-3.6 3.5=100 HE21 GLN 25 - HG3 GLN 122 far 9 92 10 - 5.2-10.3 Violated in 0 structures by 0.00 A. Peak 3229 from cnoeabs.peaks (6.88, 2.52, 33.39 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 25 + HG3 GLN 25 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 25 - HG3 GLN 122 poor 5 92 25 23 5.7-10.1 11012/11429=18, 929=5 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (8.02, 3.81, 45.96 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 26 + HA2 GLY 26 OK 100 100 100 100 2.3-2.9 3.0=100 H VAL 22 - HA2 GLY 26 far 0 70 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA3 GLY 26 + HA2 GLY 26 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 22 - HA2 GLY 26 far 0 98 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (8.02, 4.13, 45.96 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 26 + HA3 GLY 26 OK 100 100 100 100 2.4-3.0 3.0=100 H VAL 22 - HA3 GLY 26 far 0 70 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3239 from cnoeabs.peaks (2.37, 4.43, 58.05 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 27 + HA TYR 27 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLN 25 - HA TYR 27 far 0 92 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-3.1 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 TYR 27 + HB2 TYR 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 25 - HB2 TYR 27 poor 18 92 20 - 4.9-8.2 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (6.79, 2.66, 39.01 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 27 + HB2 TYR 27 OK 100 100 100 100 2.3-2.8 2.5=100 QD PHE 120 - HB2 TYR 27 far 0 100 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.8 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD TYR 27 + HB3 TYR 27 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 120 - HB3 TYR 27 far 0 100 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (2.66, 6.59, 117.91 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.95: * HB2 TYR 27 + QE TYR 27 OK 95 95 100 100 4.4-4.5 4.4=100 HB2 TYR 76 - QE TYR 27 far 0 95 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (2.37, 6.59, 117.91 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.99: * HB3 TYR 27 + QE TYR 27 OK 95 95 100 100 4.4-4.5 4.4=100 HG2 GLN 25 + QE TYR 27 OK 80 84 95 100 3.7-8.6 3.0/4579=92, ~4571=82...(10) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.95: * QD TYR 27 + QE TYR 27 OK 95 95 100 100 2.2-2.2 2.2=100 QD PHE 120 - QE TYR 27 far 0 95 0 - 6.6-8.5 Violated in 0 structures by 0.00 A. Peak 3276 from cnoeabs.peaks (7.84, 6.79, 132.82 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.89: * H TYR 27 + QD TYR 27 OK 89 89 100 100 2.4-4.2 4.4=100 H SER 126 - QD TYR 27 far 0 59 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. 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 89 100 100 2.3-2.8 2.5=100 Violated in 0 structures by 0.00 A. Peak 3279 from cnoeabs.peaks (2.37, 6.79, 132.82 ppm; 5.65 A): 2 out of 2 assignments used, quality = 0.97: * HB3 TYR 27 + QD TYR 27 OK 89 89 100 100 2.3-2.7 2.5=100 HG2 GLN 25 + QD TYR 27 OK 73 77 95 100 3.9-7.3 3.0/4571=87, 3.0/4578=83...(13) Violated in 0 structures by 0.00 A. 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 89 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 28 + HA GLN 28 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 52 - HA GLN 28 far 0 65 0 - 6.7-10.9 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (1.78, 4.50, 54.38 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 28 + HA GLN 28 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 19 - HA GLN 28 far 0 99 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 3292 from cnoeabs.peaks (8.34, 2.06, 30.45 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 28 + HB2 GLN 28 OK 100 100 100 100 2.2-3.7 4.0=100 H PHE 51 - HB2 GLN 28 far 0 100 0 - 7.9-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (2.06, 2.06, 30.45 ppm; diagonal): 2 out of 2 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 Peak 3295 from cnoeabs.peaks (1.78, 2.06, 30.45 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 28 + HB2 GLN 28 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 19 - HB2 GLN 28 far 0 99 0 - 9.2-11.3 HB2 LYS 19 - HB VAL 117 far 0 25 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (2.24, 2.06, 30.45 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 28 + HB2 GLN 28 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 122 - HB VAL 117 far 0 26 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 3297 from cnoeabs.peaks (2.20, 2.06, 30.45 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 28 + HB2 GLN 28 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 48 - HB2 GLU 47 poor 11 95 40 28 3.3-7.4 4086/4.6=24, 4.0/4070=3, ~5868=2 Violated in 0 structures by 0.00 A. Peak 3299 from cnoeabs.peaks (7.01, 2.06, 30.45 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 28 + HB2 GLN 28 OK 100 100 100 100 3.7-5.3 4.5=100 HZ PHE 120 - HB VAL 117 poor 13 25 55 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 3300 from cnoeabs.peaks (8.34, 1.78, 30.45 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 28 + HB3 GLN 28 OK 100 100 100 100 2.2-3.7 4.0=100 H PHE 51 - HB3 GLN 28 far 0 100 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3302 from cnoeabs.peaks (2.06, 1.78, 30.45 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 28 + HB3 GLN 28 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 52 - HB3 GLN 28 far 3 65 5 - 4.6-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (2.20, 1.78, 30.45 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 28 + HB3 GLN 28 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 48 - HB3 GLN 28 far 0 100 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 3308 from cnoeabs.peaks (8.34, 2.24, 33.72 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 28 + HG2 GLN 28 OK 100 100 100 100 3.1-3.9 1182=100, 1183/1.8=93...(6) H PHE 51 - HG2 GLN 28 far 0 100 0 - 9.0-14.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 3310 from cnoeabs.peaks (2.06, 2.24, 33.72 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 28 + HG2 GLN 28 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 52 - HG2 GLN 28 far 0 65 0 - 5.6-9.5 Violated in 0 structures by 0.00 A. Peak 3311 from cnoeabs.peaks (1.78, 2.24, 33.72 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 28 + HG2 GLN 28 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 19 - HG2 GLN 28 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3316 from cnoeabs.peaks (8.34, 2.20, 33.72 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 28 + HG3 GLN 28 OK 100 100 100 100 2.5-3.9 5.2=100 H PHE 51 - HG3 GLN 28 far 0 100 0 - 7.8-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 3318 from cnoeabs.peaks (2.06, 2.20, 33.72 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 28 + HG3 GLN 28 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 MET 67 + HB2 MET 67 OK 46 46 100 100 1.8-1.8 1.8=100 HG3 GLU 52 - HG3 GLN 28 far 3 65 5 - 4.0-9.3 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (1.78, 2.20, 33.72 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 28 + HG3 GLN 28 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 32 - HB2 MET 67 poor 17 58 30 - 5.3-7.2 HB2 LEU 64 - HB2 MET 67 far 6 59 10 - 5.1-7.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3324 from cnoeabs.peaks (8.78, 5.04, 61.49 ppm; 5.98 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 29 + HA VAL 29 OK 100 100 100 100 2.8-2.9 3.0=100 H ILE 5 - HA VAL 29 far 9 90 10 - 7.2-8.8 H ILE 18 - HA VAL 29 far 0 94 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB VAL 29 + HA VAL 29 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 41 - HA VAL 29 far 0 99 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 3327 from cnoeabs.peaks (0.90, 5.04, 61.49 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 29 + HA VAL 29 OK 100 100 100 100 2.0-3.1 3.2=100 HG13 ILE 54 - HA VAL 29 far 0 77 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.8 3.2=100 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (8.78, 1.95, 32.47 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 29 + HB VAL 29 OK 100 100 100 100 2.1-3.5 1188=100, 1189/2.1=70 H MET 42 - HB3 LYS 40 far 0 87 0 - 5.6-6.0 H ILE 18 - HB VAL 29 far 0 94 0 - 8.4-10.8 H ILE 5 - HB VAL 29 far 0 90 0 - 9.6-11.7 Violated in 2 structures by 0.01 A. Peak 3330 from cnoeabs.peaks (5.04, 1.95, 32.47 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 29 + HB VAL 29 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 56 - HB VAL 29 far 0 81 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * QG2 VAL 29 + HB VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 - HB3 LYS 40 far 0 82 0 - 6.9-8.8 QD1 LEU 70 - HB3 LYS 40 far 0 76 0 - 7.3-9.2 QD2 LEU 38 - HB3 LYS 40 far 0 82 0 - 7.5-7.9 HG13 ILE 54 - HB VAL 29 far 0 77 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3333 from cnoeabs.peaks (0.80, 1.95, 32.47 ppm; 3.10 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 29 + HB VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 74 - HB3 LYS 40 far 0 55 0 - 8.0-11.0 QD2 LEU 74 - HB3 LYS 40 far 0 48 0 - 8.3-11.0 QG2 ILE 71 - HB3 LYS 40 far 0 55 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (8.78, 0.90, 21.87 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 29 + QG2 VAL 29 OK 100 100 100 100 1.8-3.3 1189=100, 1188/2.1=82...(6) H ILE 18 - QG2 VAL 29 far 0 94 0 - 6.3-7.8 H ILE 5 - QG2 VAL 29 far 0 90 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (5.04, 0.90, 21.87 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 29 + QG2 VAL 29 OK 100 100 100 100 2.0-3.1 3.2=100 HA ILE 56 - QG2 VAL 29 far 0 81 0 - 5.9-7.0 Violated in 0 structures by 0.00 A. Peak 3336 from cnoeabs.peaks (1.95, 0.90, 21.87 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 29 + QG2 VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 104 + QG2 VAL 104 OK 58 58 100 100 2.1-2.1 2.1=100 HB3 LYS 96 - QG2 VAL 104 far 0 35 0 - 5.0-7.4 HB3 ARG 95 - QG2 VAL 104 far 0 37 0 - 6.6-8.0 HB2 LYS 65 - QG2 VAL 104 far 0 32 0 - 7.3-10.2 HB3 GLU 52 - QG2 VAL 29 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QG1 VAL 29 + QG2 VAL 29 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 64 - QG2 VAL 104 far 0 37 0 - 4.3-5.9 QD1 LEU 64 - QG2 VAL 104 far 0 44 0 - 4.3-6.2 QD1 LEU 81 - QG2 VAL 104 far 0 51 0 - 4.8-7.4 QD1 LEU 114 - QG2 VAL 29 far 0 99 0 - 7.9-10.1 QG2 ILE 71 - QG2 VAL 104 far 0 37 0 - 8.0-11.2 QD1 LEU 81 - QG2 VAL 29 far 0 90 0 - 9.1-10.8 QD1 LEU 64 - QG2 VAL 29 far 0 81 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 3339 from cnoeabs.peaks (8.78, 0.80, 21.46 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 29 + QG1 VAL 29 OK 100 100 100 100 3.0-3.9 4.0=100 H ILE 18 - QG1 VAL 29 far 0 94 0 - 5.9-8.1 H ILE 5 - QG1 VAL 29 far 0 90 0 - 6.9-9.8 H ASN 59 - QG1 VAL 29 far 0 65 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (5.04, 0.80, 21.46 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 29 + QG1 VAL 29 OK 100 100 100 100 2.0-2.8 3.2=100 HA ILE 56 - QG1 VAL 29 far 0 81 0 - 5.0-5.9 Violated in 0 structures by 0.00 A. Peak 3341 from cnoeabs.peaks (1.95, 0.80, 21.46 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 29 + QG1 VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 41 - QG1 VAL 29 far 0 99 0 - 9.5-10.8 HB2 GLU 41 - QG1 VAL 29 far 0 100 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3342 from cnoeabs.peaks (0.90, 0.80, 21.46 ppm; 2.49 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 29 + QG1 VAL 29 OK 100 100 100 100 1.9-2.1 2.1=100 HG13 ILE 54 - QG1 VAL 29 far 0 77 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB2 ARG 30 + HA ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 114 - HA ASP 109 far 0 98 0 - 7.6-11.1 HD2 LYS 115 - HA ASP 109 far 0 99 0 - 8.5-12.1 HD3 LYS 115 - HA ASP 109 far 0 97 0 - 9.2-11.6 HB ILE 5 - HA ARG 30 far 0 96 0 - 9.9-11.4 HG LEU 90 - HA ASP 109 far 0 74 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3347 from cnoeabs.peaks (1.51, 4.74, 53.79 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 ARG 30 + HA ARG 30 OK 70 70 100 100 3.0-4.0 3.9=100 HD3 LYS 17 - HA ASP 109 far 0 98 0 - 8.8-10.3 HB3 LEU 14 - HA ASP 109 far 0 71 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (1.50, 4.74, 53.79 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 30 + HA ARG 30 OK 100 100 100 100 3.0-4.0 3.9=100 HB3 ARG 30 + HA ARG 30 OK 70 70 100 100 2.7-3.0 3.0=100 HD3 LYS 17 - HA ASP 109 far 0 55 0 - 8.8-10.3 HB3 LEU 14 - HA ASP 109 far 0 99 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (1.45, 4.74, 53.79 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.3-3.8 3.9=100 HG12 ILE 57 + HA ARG 30 OK 47 96 60 83 4.4-6.6 1196/2.9=34, ~11362=31...(8) HG3 LYS 44 - HA ARG 30 far 0 81 0 - 8.7-10.9 HG LEU 4 - HA ARG 30 far 0 100 0 - 9.1-13.1 HB3 LEU 38 - HA ARG 30 far 0 94 0 - 9.4-10.6 HB3 LEU 4 - HA ARG 30 far 0 77 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 30 + HB2 ARG 30 OK 70 70 100 100 2.4-3.0 2.8=100 HB2 LEU 6 - HB2 ARG 30 far 0 98 0 - 9.5-11.9 HG LEU 6 - HB2 ARG 30 far 0 98 0 - 9.5-12.2 HG LEU 38 - HB2 ARG 30 far 0 97 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3356 from cnoeabs.peaks (1.50, 1.65, 32.39 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.4-3.0 2.8=100 HB3 ARG 30 + HB2 ARG 30 OK 70 70 100 100 1.8-1.8 1.8=100 HB2 LEU 6 - HB2 ARG 30 far 0 90 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 3357 from cnoeabs.peaks (1.45, 1.65, 32.39 ppm; 4.00 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.4-3.0 2.8=100 HG12 ILE 57 + HB2 ARG 30 OK 30 96 50 63 4.7-6.8 1196/4.0=22, 3365/1.8=21...(7) HG3 LYS 44 - HB2 ARG 30 far 0 81 0 - 6.6-9.5 HG LEU 4 - HB2 ARG 30 far 0 100 0 - 6.8-11.7 HB3 LEU 4 - HB2 ARG 30 far 0 77 0 - 7.4-9.6 HB3 LEU 38 - HB2 ARG 30 far 0 94 0 - 7.8-8.9 HB2 LEU 4 - HB2 ARG 30 far 0 77 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 3359 from cnoeabs.peaks (2.93, 1.65, 32.39 ppm; 5.17 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.2-4.2 3.6=100 HE2 LYS 44 - HB2 ARG 30 far 5 100 5 - 6.1-11.9 HE3 LYS 44 - HB2 ARG 30 far 0 100 0 - 6.8-11.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (1.65, 1.51, 32.39 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HB3 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 5 - HB3 ARG 30 far 0 96 0 - 7.9-9.7 HB2 GLU 52 - HB3 ARG 30 far 0 100 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.3-3.0 2.8=100 HG12 ILE 57 + HB3 ARG 30 OK 42 96 70 63 3.6-6.5 1196/4.0=24, 3357/1.8=18...(8) HG LEU 4 - HB3 ARG 30 far 0 100 0 - 6.1-10.4 HB3 LEU 4 - HB3 ARG 30 far 0 77 0 - 6.7-8.8 HB3 LEU 38 - HB3 ARG 30 far 0 94 0 - 7.4-10.2 HG3 LYS 44 - HB3 ARG 30 far 0 81 0 - 7.5-10.3 HB2 LEU 4 - HB3 ARG 30 far 0 77 0 - 8.3-10.2 HG12 ILE 7 - HB3 ARG 30 far 0 97 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (2.93, 1.51, 32.39 ppm; 6.14 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.2-4.2 3.6=100 HE3 LYS 44 - HB3 ARG 30 far 10 100 10 - 7.4-11.9 HE2 LYS 44 - HB3 ARG 30 far 5 100 5 - 7.4-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.9 4.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 3370 from cnoeabs.peaks (1.65, 1.50, 26.70 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.4-3.0 2.8=100 HB2 GLU 52 - HG2 ARG 30 far 0 100 0 - 8.0-12.0 HB ILE 5 - HG2 ARG 30 far 0 96 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 57 - HG2 ARG 30 far 0 96 0 - 5.3-8.2 HG LEU 4 - HG2 ARG 30 far 0 100 0 - 5.7-10.2 HG3 LYS 44 - HG2 ARG 30 far 0 81 0 - 5.8-9.6 HB3 LEU 4 - HG2 ARG 30 far 0 77 0 - 6.7-9.4 HB2 LEU 4 - HG2 ARG 30 far 0 77 0 - 8.1-10.7 HB3 LEU 38 - HG2 ARG 30 far 0 94 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3375 from cnoeabs.peaks (2.93, 1.50, 26.70 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 - HG2 ARG 30 far 15 100 15 - 5.2-10.1 HE2 LYS 44 - HG2 ARG 30 far 5 100 5 - 6.5-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.7 4.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (1.65, 1.45, 26.70 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.4-3.0 2.8=100 HB ILE 5 - HG3 ARG 30 far 0 96 0 - 8.0-12.0 HB2 GLU 52 - HG3 ARG 30 far 0 100 0 - 8.4-13.8 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (1.51, 1.45, 26.70 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.3-3.0 2.8=100 HG2 ARG 30 + HG3 ARG 30 OK 70 70 100 100 1.8-1.8 1.8=100 HG LEU 38 - HG3 ARG 30 far 0 97 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (1.50, 1.45, 26.70 ppm; 2.90 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 30 + HG3 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 30 + HG3 ARG 30 OK 70 70 100 100 2.3-3.0 2.8=100 HD2 LYS 53 - HG3 ARG 30 far 0 70 0 - 9.4-14.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3383 from cnoeabs.peaks (2.93, 1.45, 26.70 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 - HG3 ARG 30 far 0 100 0 - 6.3-11.7 HE2 LYS 44 - HG3 ARG 30 far 0 100 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (1.65, 3.33, 42.86 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.4-4.2 3.6=100 HB2 GLU 52 - HD2 ARG 30 far 0 100 0 - 8.3-12.7 HB ILE 5 - HD2 ARG 30 far 0 96 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (1.51, 3.33, 42.86 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.4-4.2 3.6=100 HG2 ARG 30 + HD2 ARG 30 OK 70 70 100 100 2.3-3.0 3.0=100 HG LEU 38 - HD2 ARG 30 far 0 97 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (1.50, 3.33, 42.86 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 30 + HD2 ARG 30 OK 70 70 100 100 2.4-4.2 3.6=100 HB3 LEU 45 - HD2 ARG 30 far 0 90 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (1.45, 3.33, 42.86 ppm; 3.98 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 44 - HD2 ARG 30 far 0 81 0 - 6.1-9.6 HG12 ILE 57 - HD2 ARG 30 far 0 96 0 - 6.2-9.1 HG LEU 4 - HD2 ARG 30 far 0 100 0 - 6.4-11.2 HB3 LEU 4 - HD2 ARG 30 far 0 77 0 - 7.3-11.8 HB3 LEU 38 - HD2 ARG 30 far 0 94 0 - 8.6-12.3 HB2 LEU 4 - HD2 ARG 30 far 0 77 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 44 - HD2 ARG 30 far 0 100 0 - 4.9-11.5 HE3 LYS 44 - HD2 ARG 30 far 0 100 0 - 5.0-11.3 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (1.65, 2.93, 42.86 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.2-4.2 3.6=100 HB ILE 5 - HD3 ARG 30 far 0 96 0 - 9.3-13.1 HB2 GLU 52 - HD3 ARG 30 far 0 100 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 3.6=100 HG2 ARG 30 + HD3 ARG 30 OK 70 70 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 30 + HD3 ARG 30 OK 70 70 100 100 2.2-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 3397 from cnoeabs.peaks (1.45, 2.93, 42.86 ppm; 4.10 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 57 - HD3 ARG 30 far 0 96 0 - 6.1-9.5 HG3 LYS 44 - HD3 ARG 30 far 0 81 0 - 6.4-9.6 HG LEU 4 - HD3 ARG 30 far 0 100 0 - 7.1-12.4 HB3 LEU 4 - HD3 ARG 30 far 0 77 0 - 8.4-11.5 HB3 LEU 38 - HD3 ARG 30 far 0 94 0 - 8.7-11.8 HB2 LEU 4 - HD3 ARG 30 far 0 77 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ASP 31 + HA ASP 31 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 ASP 31 + HA ASP 31 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 41 - HA ASP 31 far 0 96 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 3403 from cnoeabs.peaks (2.47, 5.21, 53.37 ppm; 3.56 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASP 31 + HA ASP 31 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 31 + HA ASP 31 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLU 41 - HA ASP 31 far 0 94 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 3404 from cnoeabs.peaks (8.38, 2.47, 42.72 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.99: * H ASP 31 + HB2 ASP 31 OK 92 100 100 92 2.5-3.8 4.1=81, 1202/1.8=45, 4.6/180=19 H ASP 31 + HB3 ASP 31 OK 92 100 100 92 2.5-3.3 4.1=81, 1201/1.8=45, 4.6/181=19 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 HA ASP 31 + HB3 ASP 31 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.99: * H ASP 31 + HB3 ASP 31 OK 92 100 100 92 2.5-3.3 4.1=81, 1201/1.8=45, 4.6/181=19 H ASP 31 + HB2 ASP 31 OK 92 100 100 92 2.5-3.8 4.1=81, 1202/1.8=45, 4.6/180=19 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HA ASP 31 + HB2 ASP 31 OK 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB VAL 32 + HA VAL 32 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 64 - HA VAL 32 far 0 84 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (0.87, 4.25, 61.56 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 32 + HA VAL 32 OK 100 100 100 100 2.4-2.6 3.2=100 HG13 ILE 57 - HA VAL 32 far 0 96 0 - 7.7-9.4 QG2 THR 9 - HA VAL 32 far 0 99 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3416 from cnoeabs.peaks (0.76, 4.25, 61.56 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 32 + HA VAL 32 OK 100 100 100 100 2.1-2.3 3.2=100 QD1 ILE 15 - HA VAL 32 far 0 100 0 - 7.4-9.1 QG2 ILE 54 - HA VAL 32 far 0 70 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 3417 from cnoeabs.peaks (8.44, 1.78, 33.88 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 32 + HB VAL 32 OK 100 100 100 100 2.5-2.7 3.9=100 H GLN 62 - HB VAL 32 far 0 97 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 3418 from cnoeabs.peaks (4.25, 1.78, 33.88 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 32 + HB VAL 32 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 41 - HB VAL 32 far 0 77 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QG1 VAL 32 + HB VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 57 - HB VAL 32 far 0 96 0 - 6.7-8.3 QG2 THR 9 - HB VAL 32 far 0 99 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (0.76, 1.78, 33.88 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 32 + HB VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 15 - HB VAL 32 far 0 100 0 - 7.2-9.0 QG2 ILE 54 - HB VAL 32 far 0 70 0 - 7.7-8.9 QD1 ILE 7 - HB VAL 32 far 0 99 0 - 8.6-10.6 QG2 ILE 7 - HB VAL 32 far 0 61 0 - 8.8-9.7 QD2 LEU 80 - HB VAL 32 far 0 84 0 - 9.0-13.3 QD1 LEU 45 - HB VAL 32 far 0 94 0 - 9.2-11.1 QD1 LEU 80 - HB VAL 32 far 0 87 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (8.44, 0.87, 21.73 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 32 + QG1 VAL 32 OK 100 100 100 100 3.7-3.8 4.0=100 H GLN 62 - QG1 VAL 32 far 0 97 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (4.25, 0.87, 21.73 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 32 + QG1 VAL 32 OK 100 100 100 100 2.4-2.6 3.2=100 HA GLU 41 - QG1 VAL 32 far 0 77 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (1.78, 0.87, 21.73 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 32 + QG1 VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 64 - QG1 VAL 32 far 0 84 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QG2 VAL 32 + QG1 VAL 32 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 15 - QG1 VAL 32 far 0 100 0 - 7.2-8.5 QG2 ILE 54 - QG1 VAL 32 far 0 70 0 - 7.6-8.5 QD1 LEU 45 - QG1 VAL 32 far 0 94 0 - 8.1-9.9 QD2 LEU 80 - QG1 VAL 32 far 0 84 0 - 8.5-12.0 QD1 ILE 7 - QG1 VAL 32 far 0 99 0 - 8.8-10.4 QG2 ILE 7 - QG1 VAL 32 far 0 61 0 - 8.8-9.6 QD1 LEU 80 - QG1 VAL 32 far 0 87 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3427 from cnoeabs.peaks (8.44, 0.76, 21.14 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 32 + QG2 VAL 32 OK 99 100 100 99 2.9-3.3 4.0=99 H GLN 62 - QG2 VAL 32 far 0 97 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (4.25, 0.76, 21.14 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 32 + QG2 VAL 32 OK 100 100 100 100 2.1-2.3 3.2=100 HA GLU 41 + QG2 VAL 32 OK 52 77 100 68 4.4-4.9 4.2/9399=36, 3.0/9394=24...(5) Violated in 0 structures by 0.00 A. Peak 3429 from cnoeabs.peaks (1.78, 0.76, 21.14 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 32 + QG2 VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 64 - QG2 VAL 32 far 0 84 0 - 7.1-8.5 HB2 LEU 55 - QG2 VAL 32 far 0 77 0 - 8.3-9.0 HB3 GLN 28 - QG2 VAL 32 far 0 97 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 3430 from cnoeabs.peaks (0.87, 0.76, 21.14 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 32 + QG2 VAL 32 OK 100 100 100 100 1.9-2.1 2.1=100 HG13 ILE 57 - QG2 VAL 32 far 0 96 0 - 5.6-7.8 QG2 THR 9 - QG2 VAL 32 far 0 99 0 - 8.0-9.5 QG2 VAL 22 - QG2 VAL 32 far 0 84 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ASN 33 + HA ASN 33 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 ASP 34 - HA ASN 33 poor 20 100 20 - 5.0-6.4 HE2 LYS 16 - HA ASN 33 far 0 100 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (2.69, 4.98, 53.40 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 33 + HA ASN 33 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 19 - HA ASN 33 far 0 92 0 - 8.8-13.6 HE2 LYS 19 - HA ASN 33 far 0 92 0 - 9.2-13.8 HE2 LYS 61 - HA ASN 33 far 0 100 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 ASN 33 + HB2 ASN 33 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 19 - HB2 ASN 33 far 0 92 0 - 9.6-15.1 HE2 LYS 19 - HB2 ASN 33 far 0 92 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (9.55, 2.69, 40.87 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + HB3 ASN 33 OK 100 100 100 100 2.3-3.5 1211=100, 187/190=59...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3446 from cnoeabs.peaks (2.91, 2.69, 40.87 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 33 + HB3 ASN 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 34 - HB3 ASN 33 poor 20 100 20 - 3.8-6.0 HE2 LYS 16 - HB3 ASN 33 far 0 100 0 - 9.5-17.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (7.62, 4.70, 53.48 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 34 + HA ASP 34 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 64 - HA ASP 34 far 0 92 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 ASP 34 + HA ASP 34 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 33 - HA ASP 34 poor 17 100 30 56 4.7-5.8 ~190=27, 189/3.0=23 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.7 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (2.91, 3.09, 42.40 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 34 + HB3 ASP 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 33 - HB3 ASP 34 far 0 100 0 - 4.8-7.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 35 + HA SER 35 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 38 + HA SER 35 OK 84 96 90 98 4.8-5.4 2.9/8029=55, 3.0/8028=45...(14) HA LEU 64 - HA SER 35 far 0 87 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 3465 from cnoeabs.peaks (3.95, 4.05, 61.45 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 35 + HA SER 35 OK 100 100 100 100 2.3-3.0 3.0=100 HA MET 67 - HA SER 35 far 0 100 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (8.87, 3.92, 62.76 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + HB2 SER 35 OK 100 100 100 100 2.2-3.0 1220=100, 1221/1.8=90...(7) Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (4.05, 3.92, 62.76 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 35 + HB2 SER 35 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 37 - HB2 SER 35 far 0 84 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 SER 35 + HB2 SER 35 OK 100 100 100 100 1.8-1.8 1.8=100 HA MET 67 - HB2 SER 35 far 0 100 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 3470 from cnoeabs.peaks (8.87, 3.95, 62.76 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H SER 35 + HB3 SER 35 OK 100 100 100 100 2.2-3.6 1221=100, 1220/1.8=92...(4) H LEU 82 - HA ILE 97 far 0 56 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 3471 from cnoeabs.peaks (4.05, 3.95, 62.76 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.97: * HA SER 35 + HB3 SER 35 OK 97 100 100 97 2.3-3.0 3.0=89, 2.9/1221=40...(6) HA LYS 96 - HA ILE 97 far 0 29 0 - 4.6-4.8 HA GLU 37 - HB3 SER 35 far 0 84 0 - 7.3-8.3 HA GLU 69 - HA ILE 97 far 0 51 0 - 7.4-8.5 HA GLU 92 - HA ILE 97 far 0 41 0 - 9.6-10.5 Violated in 3 structures by 0.01 A. Peak 3472 from cnoeabs.peaks (3.92, 3.95, 62.76 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 35 + HB3 SER 35 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 38 - HB3 SER 35 far 0 96 0 - 6.7-7.9 HA LEU 64 - HA ILE 97 far 0 45 0 - 9.3-10.6 HA LEU 64 - HB3 SER 35 far 0 87 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3477 from cnoeabs.peaks (2.66, 4.52, 57.67 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 36 + HA ASP 36 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 MET 42 - HA ASP 36 far 0 98 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 3478 from cnoeabs.peaks (8.39, 2.84, 40.28 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + HB2 ASP 36 OK 100 100 100 100 2.2-3.0 1224=100, 1225/1.8=73...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (8.39, 2.66, 40.28 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + HB3 ASP 36 OK 100 100 100 100 2.2-3.5 1225=100, 1224/1.8=84 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3487 from cnoeabs.peaks (4.06, 4.06, 59.21 ppm; diagonal): 5 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): 3 out of 7 assignments used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.4-2.9 3.0=100 HG2 GLU 69 + HA GLU 69 OK 74 74 100 100 2.1-3.8 5016=98, 5017/2.9=62...(14) HG3 GLU 91 + HA GLU 91 OK 30 32 100 94 2.1-3.9 4.2=42, 3.0/5830=37...(12) HG3 GLU 92 - HA GLU 91 far 0 58 0 - 5.5-6.4 HG3 GLU 92 - HA LYS 96 far 0 56 0 - 7.1-10.2 HG2 GLU 89 - HA GLU 91 far 0 56 0 - 7.8-10.0 HG2 GLU 69 - HA LYS 96 far 0 56 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 3489 from cnoeabs.peaks (2.17, 4.06, 59.21 ppm; 3.02 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 98 - HA LYS 96 far 0 56 0 - 5.8-7.0 HB2 GLU 98 - HA GLU 91 far 0 58 0 - 6.5-9.5 HB2 MET 42 - HA GLU 69 far 0 48 0 - 7.6-8.7 HB2 MET 42 - HA LYS 44 far 0 36 0 - 8.0-8.7 HG3 GLU 66 - HA GLU 69 far 0 60 0 - 8.7-9.7 Violated in 2 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (2.44, 4.06, 59.21 ppm; 3.33 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.1-3.6 3505=97, 3506/3.0=60...(12) HG3 GLU 69 + HA GLU 69 OK 73 73 100 100 2.5-3.8 5022=93, 1.8/5016=77...(19) HG3 GLU 41 + HA GLU 37 OK 22 70 85 38 4.2-7.0 4.9/2046=21, 3496/3.0=10...(4) HG2 GLN 100 - HA GLU 69 far 11 76 15 - 4.5-7.9 HG2 GLN 100 - HA LYS 96 poor 7 57 50 25 4.0-7.9 6269/11178=14...(3) HG3 GLU 98 - HA GLU 91 far 0 57 0 - 5.5-9.3 HG3 GLU 98 - HA LYS 96 far 0 55 0 - 6.7-8.4 HG3 GLU 41 - HA LYS 44 far 0 34 0 - 7.9-9.4 HG3 GLU 69 - HA LYS 96 far 0 55 0 - 8.7-13.6 HG2 GLU 37 - HA LYS 44 far 0 59 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.9 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 3493 from cnoeabs.peaks (4.06, 2.27, 29.72 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.4-2.9 3.0=100 HA SER 35 - HB2 GLU 37 far 0 84 0 - 5.5-6.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3496 from cnoeabs.peaks (2.44, 2.27, 29.72 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 41 + HB2 GLU 37 OK 29 70 95 44 3.0-6.9 9293/9292=13, 209/207=10...(6) Violated in 0 structures by 0.00 A. Peak 3497 from cnoeabs.peaks (2.73, 2.27, 29.72 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 60 - HB2 GLU 37 far 0 97 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.3 3.8=100 Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (4.06, 2.17, 29.72 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 35 + HB3 GLU 37 OK 52 84 95 65 4.8-7.0 8028/208=32, 3.6/9339=25...(4) HA LYS 96 - HB2 GLU 98 far 0 54 0 - 5.8-7.0 HA GLU 91 - HB2 GLU 98 far 0 40 0 - 6.5-9.5 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (2.27, 2.17, 29.72 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 37 + HB3 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 103 - HB2 GLU 98 far 0 42 0 - 6.2-10.5 HG3 GLU 91 - HB2 GLU 98 far 0 31 0 - 8.1-12.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 55 55 100 100 2.4-3.0 3.0=100 HG3 GLU 41 - HB3 GLU 37 poor 18 70 55 47 4.4-7.8 3496/1.8=16...(6) HG2 GLN 100 - HB2 GLU 98 far 0 58 0 - 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 3503 from cnoeabs.peaks (2.73, 2.17, 29.72 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 ASP 60 - HB3 GLU 37 far 0 97 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 3504 from cnoeabs.peaks (9.01, 2.44, 36.55 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.3-4.1 1230=100, 1231/1.8=91...(11) Violated in 1 structures by 0.00 A. Peak 3505 from cnoeabs.peaks (4.06, 2.44, 36.55 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.99: * HA GLU 37 + HG2 GLU 37 OK 99 100 100 99 2.1-3.6 3.9=63, 3.0/3506=61...(12) HA GLU 91 - HG3 GLU 98 far 0 69 0 - 5.5-9.3 HA SER 35 - HG2 GLU 37 far 0 84 0 - 6.2-7.7 HA LYS 96 - HG3 GLU 98 far 0 88 0 - 6.7-8.4 HA LYS 44 - HG2 GLU 37 far 0 100 0 - 9.9-12.4 Violated in 1 structures by 0.01 A. Peak 3506 from cnoeabs.peaks (2.27, 2.44, 36.55 ppm; 2.85 A): 1 out of 4 assignments used, quality = 0.98: * HB2 GLU 37 + HG2 GLU 37 OK 98 100 100 98 2.3-3.0 3.0=86, 3.0/3505=37...(13) HG2 GLU 103 - HG3 GLU 98 far 0 72 0 - 4.4-10.3 HG3 GLU 91 - HG3 GLU 98 far 0 55 0 - 6.6-12.2 HG3 GLU 92 - HG3 GLU 98 far 0 90 0 - 9.4-13.4 Violated in 5 structures by 0.03 A. Peak 3507 from cnoeabs.peaks (2.17, 2.44, 36.55 ppm; 2.86 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 37 + HG2 GLU 37 OK 99 100 100 99 2.6-3.0 3.0=88, 1.8/3506=67...(12) HB2 GLU 98 + HG3 GLU 98 OK 90 90 100 100 2.4-3.0 3.0=87, 6223/1.8=64...(15) HB2 MET 42 - HG2 GLU 37 far 0 73 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (9.01, 2.73, 36.55 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HG3 GLU 37 OK 100 100 100 100 2.6-3.6 1231=100, 1230/1.8=71...(14) Violated in 0 structures by 0.00 A. Peak 3511 from cnoeabs.peaks (4.06, 2.73, 36.55 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HG3 GLU 37 OK 100 100 100 100 3.1-3.9 3.9=92, 3505/1.8=85...(12) HA SER 35 - HG3 GLU 37 far 0 84 0 - 5.5-7.1 Violated in 2 structures by 0.01 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3514 from cnoeabs.peaks (2.44, 2.73, 36.55 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 41 - HG3 GLU 37 far 3 70 5 - 3.2-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 38 + HA LEU 38 OK 100 100 100 100 2.8-2.9 2.9=100 HG2 GLU 41 + HA LEU 38 OK 53 61 100 86 1.9-3.9 4.9/2045=26, 3.0/8050=22...(14) Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (1.46, 3.91, 59.13 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 38 + HA LEU 38 OK 100 100 100 100 2.2-2.2 2.9=100 HG2 LYS 39 - HA LEU 38 far 5 99 5 - 5.1-7.7 HG3 ARG 30 - HA LEU 38 far 0 94 0 - 6.7-10.2 HG12 ILE 57 - HA LEU 38 far 0 100 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (1.52, 3.91, 59.13 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 38 + HA LEU 38 OK 100 100 100 100 3.1-3.3 3538=83, 2.1/3521=79...(13) HB3 ARG 30 - HA LEU 38 far 0 97 0 - 6.6-9.1 HG2 LYS 43 - HA LEU 38 far 0 96 0 - 7.3-8.4 HG LEU 6 - HA LEU 38 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (0.89, 3.91, 59.13 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + HA LEU 38 OK 100 100 100 100 3.8-3.9 3.8=74, 2.1/3522=64...(13) QD1 LEU 70 - HA LEU 38 far 3 70 5 - 4.8-7.3 QD2 LEU 70 - HA LEU 38 far 0 81 0 - 6.3-7.9 Violated in 20 structures by 0.39 A. Peak 3522 from cnoeabs.peaks (0.96, 3.91, 59.13 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + HA LEU 38 OK 100 100 100 100 3.6-3.8 3.8=82, 2.1/3521=70...(16) HG13 ILE 56 - HA LEU 38 far 0 99 0 - 5.5-6.6 Violated in 20 structures by 0.14 A. 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 100 100 100 100 2.0-2.1 3.8=100 Violated in 0 structures by 0.00 A. Peak 3524 from cnoeabs.peaks (3.91, 2.11, 41.07 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 SER 35 + HB2 LEU 38 OK 95 96 100 99 4.4-5.4 3.0/8029=74, ~8032=44...(15) HA LEU 64 - HB2 LEU 38 far 0 99 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 38 + HB2 LEU 38 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 39 + HB2 LEU 38 OK 31 99 40 77 4.6-7.4 3588/213=39...(8) HG3 ARG 30 - HB2 LEU 38 far 0 94 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (1.52, 2.11, 41.07 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 LYS 43 - HB2 LEU 38 far 0 96 0 - 8.4-9.4 HB3 ARG 30 - HB2 LEU 38 far 0 97 0 - 8.5-11.4 HG LEU 6 - HB2 LEU 38 far 0 100 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (0.89, 2.11, 41.07 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.0-2.2 3.1=100 QD1 LEU 70 - HB2 LEU 38 poor 17 70 25 - 4.9-7.3 QD2 LEU 70 - HB2 LEU 38 far 0 81 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 3529 from cnoeabs.peaks (0.96, 2.11, 41.07 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.7-2.8 3.1=100 HG13 ILE 56 - HB2 LEU 38 far 0 99 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-3.4 3.8=100 Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (3.91, 1.46, 41.07 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.2-2.2 2.9=100 HA LEU 64 - HB3 LEU 38 poor 13 99 25 53 5.6-6.5 3552/3.1=25...(5) HB2 SER 35 - HB3 LEU 38 far 0 96 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 3532 from cnoeabs.peaks (2.11, 1.46, 41.07 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 41 + HB3 LEU 38 OK 28 61 60 76 3.0-5.8 3518/2.9=20, ~9404=18...(13) Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.6-2.7 3.0=100 HB3 ARG 30 - HB3 LEU 38 far 0 97 0 - 7.4-10.2 HG LEU 6 - HB3 LEU 38 far 0 100 0 - 8.1-9.2 HG2 LYS 43 - HB3 LEU 38 far 0 96 0 - 8.3-9.3 HB2 LEU 6 - HB3 LEU 38 far 0 84 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (0.89, 1.46, 41.07 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 3.1-3.1 3.1=100 QD1 LEU 70 - HB3 LEU 38 poor 12 70 55 31 4.7-6.9 3542/3540=14...(4) QD2 LEU 70 - HB3 LEU 38 far 0 81 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 3536 from cnoeabs.peaks (0.96, 1.46, 41.07 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + HB3 LEU 38 OK 100 100 100 100 1.9-2.0 3.1=100 HG13 ILE 56 - HB3 LEU 38 far 0 99 0 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 3537 from cnoeabs.peaks (8.20, 1.52, 27.18 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HG LEU 38 OK 100 100 100 100 4.0-4.2 1236=100, 1237/2.1=98...(11) Violated in 0 structures by 0.00 A. Peak 3538 from cnoeabs.peaks (3.91, 1.52, 27.18 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + HG LEU 38 OK 100 100 100 100 3.1-3.3 3520=100, 3521/2.1=85...(13) HB2 SER 35 - HG LEU 38 far 0 96 0 - 5.8-7.1 HA LEU 64 - HG LEU 38 far 0 99 0 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 3539 from cnoeabs.peaks (2.11, 1.52, 27.18 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 38 + HG LEU 38 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 GLU 41 - HG LEU 38 poor 11 61 40 46 3.5-6.8 3518/3520=18...(6) Violated in 0 structures by 0.00 A. Peak 3540 from cnoeabs.peaks (1.46, 1.52, 27.18 ppm; 2.84 A): 1 out of 3 assignments used, quality = 0.96: * HB3 LEU 38 + HG LEU 38 OK 96 100 100 96 2.6-2.7 3.0=86, 2.9/3520=31...(8) HG2 LYS 39 - HG LEU 38 far 15 99 15 - 4.1-6.5 HG3 ARG 30 - HG LEU 38 far 0 94 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 38 OK 27 70 95 41 2.6-4.9 3556/2.1=15...(4) QD2 LEU 70 - HG LEU 38 far 8 81 10 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 3543 from cnoeabs.peaks (0.96, 1.52, 27.18 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 56 - HG LEU 38 far 0 99 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (3.91, 0.89, 25.56 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 38 + QD2 LEU 38 OK 100 100 100 100 3.8-3.9 3.8=100 HB2 SER 35 + QD2 LEU 38 OK 93 96 100 97 2.7-3.9 10797/10988=50...(14) HA LEU 64 - QD2 LEU 38 far 0 99 0 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (2.11, 0.89, 25.56 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.0-2.2 3.1=100 HG2 GLU 41 - QD2 LEU 38 far 3 61 5 - 4.8-7.0 Violated in 0 structures by 0.00 A. Peak 3547 from cnoeabs.peaks (1.46, 0.89, 25.56 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 38 + QD2 LEU 38 OK 100 100 100 100 3.1-3.1 3.1=100 HG2 LYS 39 + QD2 LEU 38 OK 82 99 95 87 2.0-4.9 2.9/10457=41...(9) HG3 ARG 30 - QD2 LEU 38 far 0 94 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 3548 from cnoeabs.peaks (1.52, 0.89, 25.56 ppm; 3.15 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 43 - QD2 LEU 38 far 0 96 0 - 5.7-6.6 HG LEU 6 - QD2 LEU 38 far 0 100 0 - 8.4-9.6 HB3 ARG 30 - QD2 LEU 38 far 0 97 0 - 9.1-11.3 HB2 LYS 61 - QD2 LEU 38 far 0 99 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD1 LEU 38 + QD2 LEU 38 OK 100 100 100 100 1.9-2.1 2.1=100 HG13 ILE 56 - QD2 LEU 38 far 0 99 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 3552 from cnoeabs.peaks (3.91, 0.96, 25.76 ppm; 3.49 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 38 + QD1 LEU 38 OK 100 100 100 100 3.6-3.8 3522=96, 3521/2.1=68...(16) HA LEU 64 + QD1 LEU 38 OK 72 99 100 73 3.7-5.0 2097/9699=31...(11) HB2 SER 35 + QD1 LEU 38 OK 39 96 45 91 4.2-6.0 10797/10987=37...(13) Violated in 1 structures by 0.00 A. Peak 3553 from cnoeabs.peaks (2.11, 0.96, 25.76 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 38 + QD1 LEU 38 OK 100 100 100 100 2.7-2.8 3.1=100 HG2 GLU 41 - QD1 LEU 38 poor 15 61 45 53 3.6-6.8 3518/3522=20...(8) Violated in 0 structures by 0.00 A. Peak 3554 from cnoeabs.peaks (1.46, 0.96, 25.76 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 38 + QD1 LEU 38 OK 100 100 100 100 1.9-2.0 3.1=100 HG2 LYS 39 - QD1 LEU 38 poor 19 99 25 78 4.7-7.2 3588/217=35, 3547/2.1=35...(6) HB3 LEU 6 - QD1 LEU 38 far 0 100 0 - 7.8-8.9 HG3 ARG 30 - QD1 LEU 38 far 0 94 0 - 8.6-11.2 HG12 ILE 57 - QD1 LEU 38 far 0 100 0 - 9.0-10.8 HG3 LYS 73 - QD1 LEU 38 far 0 70 0 - 9.5-12.6 HG LEU 4 - QD1 LEU 38 far 0 92 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 3555 from cnoeabs.peaks (1.52, 0.96, 25.76 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 38 + QD1 LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 6 - QD1 LEU 38 far 0 100 0 - 5.8-7.0 HG2 LYS 43 - QD1 LEU 38 far 0 96 0 - 6.6-7.4 HB2 LEU 6 - QD1 LEU 38 far 0 84 0 - 7.6-8.5 HB3 ARG 30 - QD1 LEU 38 far 0 97 0 - 7.9-10.2 HB2 LYS 61 - QD1 LEU 38 far 0 99 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (0.89, 0.96, 25.76 ppm; 2.64 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + QD1 LEU 38 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 70 + QD1 LEU 38 OK 24 70 95 36 2.1-4.2 11369/10993=11...(6) QD2 LEU 70 - QD1 LEU 38 far 0 81 0 - 4.3-5.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.7-2.8 3.0=100 HE21 GLN 62 - HA LYS 39 far 0 65 0 - 9.4-15.3 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 99 100 100 99 2.3-3.0 3.0=90, 2.9/3562=37...(31) HB3 LYS 39 + HA LYS 39 OK 80 81 100 99 2.5-3.0 3.0=90, 2.9/3562=37...(30) HB3 MET 42 - HA LYS 39 far 7 73 10 - 4.4-6.2 HB2 GLU 41 - HA LYS 39 far 0 73 0 - 4.7-6.9 HB3 GLU 41 - HA LYS 39 far 0 77 0 - 5.4-6.5 HB2 LEU 70 - HA LYS 39 far 0 96 0 - 5.5-7.7 HB3 LYS 40 - HA LYS 39 far 0 90 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (1.95, 3.84, 59.87 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 39 + HA LYS 39 OK 81 81 100 100 2.3-3.0 3.0=100 HB3 MET 42 - HA LYS 39 poor 20 100 20 - 4.4-6.2 HB2 GLU 41 - HA LYS 39 far 0 100 0 - 4.7-6.9 HB3 GLU 41 - HA LYS 39 far 0 100 0 - 5.4-6.5 HB2 LEU 70 - HA LYS 39 far 0 98 0 - 5.5-7.7 HB3 LYS 40 - HA LYS 39 far 0 100 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (1.46, 3.84, 59.87 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.5-3.8 3.8=79, 3588/3.0=43...(34) HB3 LEU 38 - HA LYS 39 far 0 99 0 - 5.4-5.5 HG3 LYS 44 - HA LYS 39 far 0 61 0 - 7.3-9.8 Violated in 12 structures by 0.08 A. Peak 3563 from cnoeabs.peaks (1.70, 3.84, 59.87 ppm; 3.48 A): 4 out of 11 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.5-3.7 3.8=75, 1.8/3562=70...(34) HD2 LYS 39 + HA LYS 39 OK 82 97 85 99 1.7-5.4 3.0/3562=53, 3.5/3560=30...(43) HD3 LYS 39 + HA LYS 39 OK 78 98 80 99 2.3-5.5 3.0/3562=53, 3.5/3560=30...(43) HD3 LYS 40 + HA LYS 39 OK 25 65 70 54 4.5-7.4 1255/3.6=11, 2781=9...(23) HD2 LYS 40 - HA LYS 39 far 3 70 5 - 4.6-7.9 HD3 LYS 43 - HA LYS 39 far 0 77 0 - 5.2-7.0 HD3 LYS 44 - HA LYS 39 far 0 99 0 - 7.2-10.6 HD2 LYS 44 - HA LYS 39 far 0 100 0 - 8.0-10.7 HG12 ILE 71 - HA LYS 39 far 0 99 0 - 8.8-11.0 HD3 LYS 73 - HA LYS 39 far 0 77 0 - 9.4-12.8 HG LEU 74 - HA LYS 39 far 0 99 0 - 9.6-11.6 Violated in 2 structures by 0.00 A. Peak 3564 from cnoeabs.peaks (1.71, 3.84, 59.87 ppm; 3.48 A): 3 out of 7 assignments used, quality = 1.00: HG3 LYS 39 + HA LYS 39 OK 97 97 100 100 2.5-3.7 3.8=75, 1.8/3562=70...(34) * HD2 LYS 39 + HA LYS 39 OK 84 100 85 99 1.7-5.4 3.0/3562=53, 3.5/3560=30...(43) HD3 LYS 39 + HA LYS 39 OK 80 100 80 99 2.3-5.5 3.0/3562=53, 3.5/3560=30...(43) HD3 LYS 44 - HA LYS 39 far 0 100 0 - 7.2-10.6 HD2 LYS 44 - HA LYS 39 far 0 99 0 - 8.0-10.7 HG12 ILE 71 - HA LYS 39 far 0 87 0 - 8.8-11.0 HG LEU 74 - HA LYS 39 far 0 100 0 - 9.6-11.6 Violated in 3 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (1.70, 3.84, 59.87 ppm; 3.48 A): 3 out of 7 assignments used, quality = 1.00: HG3 LYS 39 + HA LYS 39 OK 98 98 100 100 2.5-3.7 3.8=75, 1.8/3562=70...(34) HD2 LYS 39 + HA LYS 39 OK 84 100 85 99 1.7-5.4 3.0/3562=53, 3.5/3560=30...(43) * HD3 LYS 39 + HA LYS 39 OK 80 100 80 99 2.3-5.5 3.0/3562=53, 3.5/3560=30...(43) HD3 LYS 44 - HA LYS 39 far 0 100 0 - 7.2-10.6 HD2 LYS 44 - HA LYS 39 far 0 99 0 - 8.0-10.7 HG12 ILE 71 - HA LYS 39 far 0 90 0 - 8.8-11.0 HG LEU 74 - HA LYS 39 far 0 100 0 - 9.6-11.6 Violated in 3 structures by 0.00 A. Peak 3566 from cnoeabs.peaks (2.98, 3.84, 59.87 ppm; 6.20 A): 6 out of 8 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.1-6.3 3.6/3562=98, 6.6=83...(36) HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-5.9 3.6/3562=98, 6.6=83...(36) HE2 LYS 40 + HA LYS 39 OK 76 90 95 89 4.6-8.2 1257/3.6=21, 3.0/2771=18...(27) HE3 LYS 40 + HA LYS 39 OK 59 84 80 87 5.1-8.7 1257/3.6=21, 3.0/2771=18...(26) HE2 LYS 43 + HA LYS 39 OK 54 100 100 54 3.3-7.2 7.0/2056=47, 3718/3.6=6...(4) HE3 LYS 43 + HA LYS 39 OK 48 99 90 54 4.6-7.9 7.0/2056=47, 3718/3.6=6...(6) HE2 LYS 73 - HA LYS 39 far 0 100 0 - 8.5-13.7 HE3 LYS 73 - HA LYS 39 far 0 100 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (2.98, 3.84, 59.87 ppm; 6.20 A): 6 out of 8 assignments used, quality = 1.00: * HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-5.9 3.6/3562=98, 6.6=83...(36) HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.1-6.3 3.6/3562=98, 6.6=83...(36) HE2 LYS 40 + HA LYS 39 OK 71 84 95 89 4.6-8.2 1257/3.6=20, 3.0/2771=18...(27) HE3 LYS 40 + HA LYS 39 OK 54 77 80 87 5.1-8.7 1257/3.6=20, 3.0/2771=18...(26) HE2 LYS 43 + HA LYS 39 OK 54 100 100 54 3.3-7.2 7.0/2056=47, 3718/3.6=5...(4) HE3 LYS 43 + HA LYS 39 OK 48 98 90 54 4.6-7.9 7.0/2056=47, 3718/3.6=6...(6) HE2 LYS 73 - HA LYS 39 far 0 100 0 - 8.5-13.7 HE3 LYS 73 - HA LYS 39 far 0 99 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (7.83, 1.93, 32.05 ppm; 3.03 A): 2 out of 8 assignments used, quality = 0.99: * H LYS 39 + HB2 LYS 39 OK 98 100 100 98 2.1-3.5 1241=46, 3598/2.9=34...(18) H LYS 39 + HB3 LYS 39 OK 60 63 100 96 2.9-3.6 4.0=42, 3598/2.9=34...(16) HE21 GLN 62 - HB2 LYS 65 far 0 44 0 - 5.8-9.1 H ILE 97 - HB2 LYS 65 far 0 78 0 - 6.4-9.4 HE21 GLN 62 - HB3 LYS 65 far 0 44 0 - 6.6-9.6 H ILE 97 - HB3 LYS 65 far 0 78 0 - 6.9-9.0 HE21 GLN 62 - HB2 LYS 39 far 0 65 0 - 9.5-16.4 H VAL 78 - HB2 LYS 123 far 0 69 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 63 63 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (1.93, 1.93, 32.05 ppm; diagonal): 7 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 17 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 63 63 100 100 2.3-3.0 2.9=100 HG2 LYS 96 - HB2 LYS 65 far 0 48 0 - 5.9-8.5 HG2 LYS 96 - HB3 LYS 65 far 0 47 0 - 5.9-8.0 HB3 LEU 38 - HB2 LYS 39 far 0 99 0 - 6.2-7.4 HG3 LYS 44 - HB3 LYS 39 far 0 31 0 - 6.7-9.3 HB3 LEU 38 - HB3 LYS 39 far 0 61 0 - 7.0-7.5 HG3 LYS 44 - HB2 LYS 39 far 0 61 0 - 7.1-9.7 HG LEU 80 - HB2 LYS 65 far 0 51 0 - 7.3-11.2 HG LEU 80 - HB3 LYS 65 far 0 50 0 - 8.3-10.6 HB3 LEU 38 - HB2 LYS 65 far 0 77 0 - 8.6-10.5 HB3 LEU 6 - HB2 LYS 65 far 0 79 0 - 8.9-10.3 HB3 LEU 38 - HB3 LYS 65 far 0 77 0 - 9.1-10.6 HB3 LEU 6 - HB3 LYS 65 far 0 78 0 - 9.2-10.2 HG12 ILE 7 - HB3 LYS 115 far 0 94 0 - 9.7-12.1 HG12 ILE 7 - HB2 LYS 115 far 0 87 0 - 9.8-11.8 HG3 LYS 20 - HB2 LYS 115 far 0 48 0 - 10.0-15.9 Violated in 0 structures by 0.00 A. Peak 3573 from cnoeabs.peaks (1.70, 1.93, 32.05 ppm; 2.70 A): 7 out of 25 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 96 100 100 96 2.3-3.0 2.9=80, 3598/4.0=19...(25) HD3 LYS 39 + HB2 LYS 39 OK 94 98 100 96 2.1-4.2 3.5=45, 1.8/3610=18...(45) HD2 LYS 39 + HB2 LYS 39 OK 93 97 100 96 2.2-4.0 3.5=45, 3621/1.8=16...(45) HG3 LYS 123 + HB2 LYS 123 OK 68 69 100 100 2.7-2.7 2.9=77, 7132/7129=44...(36) HG3 LYS 39 + HB3 LYS 39 OK 60 63 100 96 2.3-3.0 2.9=80, 3598/4.0=19...(25) HD3 LYS 39 + HB3 LYS 39 OK 56 59 100 95 2.1-3.9 3.5=45, 3593/2.9=15...(45) HD2 LYS 39 + HB3 LYS 39 OK 55 58 100 95 2.2-4.0 3.5=45, 3620/1.8=18...(45) HD3 LYS 40 - HB2 LYS 39 poor 17 65 60 43 3.2-6.9 ~3691=6, 3701/1.8=5...(21) HD2 LYS 40 - HB3 LYS 39 poor 15 36 40 - 2.3-6.5 HD3 LYS 40 - HB3 LYS 39 poor 12 34 80 44 2.4-5.5 2.9/3691=10, 3701=7...(18) HD2 LYS 40 - HB2 LYS 39 far 3 70 5 - 2.7-7.7 HD3 LYS 43 - HB3 LYS 39 far 0 41 0 - 5.0-7.8 HD3 LYS 43 - HB2 LYS 39 far 0 77 0 - 5.9-9.1 HD3 LYS 44 - HB2 LYS 39 far 0 99 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 100 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 61 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 62 0 - 7.4-10.9 HD2 LYS 96 - HB3 LYS 65 far 0 44 0 - 7.4-11.0 HD3 LYS 96 - HB2 LYS 65 far 0 51 0 - 7.8-11.1 HD3 LYS 96 - HB3 LYS 65 far 0 50 0 - 7.9-10.1 HD2 LYS 17 - HB3 LYS 115 far 0 57 0 - 8.3-11.7 HD2 LYS 96 - HB2 LYS 65 far 0 44 0 - 8.5-11.1 HG12 ILE 71 - HB3 LYS 65 far 0 76 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 76 0 - 8.7-10.2 HD2 LYS 17 - HB2 LYS 115 far 0 51 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 3574 from cnoeabs.peaks (1.71, 1.93, 32.05 ppm; 2.70 A): 7 out of 13 assignments used, quality = 1.00: HD3 LYS 39 + HB2 LYS 39 OK 96 100 100 96 2.1-4.2 3.5=45, 1.8/3610=18...(45) * HD2 LYS 39 + HB2 LYS 39 OK 96 100 100 96 2.2-4.0 3.5=45, 3611/1.8=17...(45) HG3 LYS 39 + HB2 LYS 39 OK 93 97 100 96 2.3-3.0 2.9=80, 3598/4.0=18...(25) HG3 LYS 123 + HB2 LYS 123 OK 63 63 100 100 2.7-2.7 2.9=77, 7114/7129=42...(36) HD2 LYS 39 + HB3 LYS 39 OK 60 63 100 96 2.2-4.0 3.5=45, 3610/1.8=18...(45) HD3 LYS 39 + HB3 LYS 39 OK 60 63 100 96 2.1-3.9 3.5=45, 3594/2.9=15...(45) HG3 LYS 39 + HB3 LYS 39 OK 55 58 100 96 2.3-3.0 2.9=80, 3598/4.0=18...(25) HD3 LYS 44 - HB2 LYS 39 far 0 100 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 99 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 62 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 60 0 - 7.4-10.9 HG12 ILE 71 - HB3 LYS 65 far 0 62 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 62 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (1.70, 1.93, 32.05 ppm; 2.70 A): 7 out of 13 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 96 100 100 96 2.1-4.2 3.5=45, 1.8/3610=18...(45) HD2 LYS 39 + HB2 LYS 39 OK 96 100 100 96 2.2-4.0 3.5=45, 3611/1.8=17...(45) HG3 LYS 39 + HB2 LYS 39 OK 94 98 100 96 2.3-3.0 2.9=80, 3598/4.0=19...(25) HG3 LYS 123 + HB2 LYS 123 OK 64 65 100 100 2.7-2.7 2.9=77, 7132/7129=42...(36) HD3 LYS 39 + HB3 LYS 39 OK 60 63 100 96 2.1-3.9 3.5=45, 3594/2.9=15...(45) HD2 LYS 39 + HB3 LYS 39 OK 60 63 100 96 2.2-4.0 3.5=45, 3610/1.8=18...(45) HG3 LYS 39 + HB3 LYS 39 OK 56 59 100 96 2.3-3.0 2.9=80, 3598/4.0=19...(25) HD3 LYS 44 - HB2 LYS 39 far 0 100 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 99 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 62 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 61 0 - 7.4-10.9 HG12 ILE 71 - HB3 LYS 65 far 0 64 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 65 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 3576 from cnoeabs.peaks (2.98, 1.93, 32.05 ppm; 3.82 A): 10 out of 17 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-4.6 5.0=44, 3642/2.9=36...(56) HE3 LYS 39 + HB2 LYS 39 OK 95 100 95 100 3.0-5.3 5.0=44, 3642/2.9=36...(60) HE2 LYS 39 + HB3 LYS 39 OK 63 63 100 100 2.4-4.6 5.0=44, 3642/2.9=36...(56) HE3 LYS 39 + HB3 LYS 39 OK 62 62 100 100 1.9-4.7 5.0=44, 3642/2.9=36...(60) HD3 ARG 118 + HB3 LYS 115 OK 47 87 70 77 3.1-7.1 10540/3.0=46, ~10539=31...(5) HE2 LYS 40 + HB2 LYS 39 OK 38 90 60 71 2.1-7.2 3606/2.9=9, 3596/2.9=9...(30) HE3 LYS 40 + HB2 LYS 39 OK 34 84 55 74 3.4-7.7 7.5/7473=8, 3.9/3691=7...(31) HE2 LYS 40 + HB3 LYS 39 OK 27 50 70 75 2.0-5.7 3.9/3691=15, 3606/2.9=9...(31) HE3 LYS 40 + HB3 LYS 39 OK 25 46 70 78 2.2-6.7 3.9/3691=15, 3.0/3701=9...(32) HD3 ARG 118 + HB2 LYS 115 OK 25 80 40 78 3.3-8.2 10540/3.0=46, ~10539=31...(5) HE3 LYS 43 - HB2 LYS 39 far 10 99 10 - 4.5-9.9 HE2 LYS 43 - HB2 LYS 39 far 5 100 5 - 3.5-8.9 HE2 LYS 43 - HB3 LYS 39 lone 4 63 40 15 2.5-7.5 3.9/3681=5, 3567/3.0=3...(5) HE3 LYS 43 - HB3 LYS 39 lone 3 61 35 15 3.0-8.6 3.9/3681=5, 3567/3.0=3...(5) HE2 LYS 73 - HB3 LYS 39 far 0 62 0 - 9.5-15.1 HD3 ARG 118 - HB2 LYS 123 far 0 62 0 - 9.7-14.1 HE2 LYS 73 - HB3 LYS 65 far 0 77 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3577 from cnoeabs.peaks (2.98, 1.93, 32.05 ppm; 3.82 A): 10 out of 17 assignments used, quality = 1.00: HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-4.6 5.0=44, 3642/2.9=36...(56) * HE3 LYS 39 + HB2 LYS 39 OK 95 100 95 100 3.0-5.3 5.0=44, 3642/2.9=36...(60) HE3 LYS 39 + HB3 LYS 39 OK 63 63 100 100 1.9-4.7 5.0=44, 3642/2.9=36...(60) HE2 LYS 39 + HB3 LYS 39 OK 62 62 100 100 2.4-4.6 5.0=44, 3642/2.9=36...(56) HD3 ARG 118 + HB3 LYS 115 OK 44 83 70 76 3.1-7.1 10540/3.0=43, ~10539=31...(5) HE2 LYS 40 + HB2 LYS 39 OK 36 84 60 71 2.1-7.2 3606/2.9=9, 3596/2.9=9...(30) HE3 LYS 40 + HB2 LYS 39 OK 31 77 55 74 3.4-7.7 7.5/7473=8, 3.9/3691=7...(31) HE2 LYS 40 + HB3 LYS 39 OK 24 46 70 75 2.0-5.7 3.9/3691=15, 3606/2.9=9...(31) HD3 ARG 118 + HB2 LYS 115 OK 23 75 40 77 3.3-8.2 10540/3.0=43, ~10539=31...(5) HE3 LYS 40 + HB3 LYS 39 OK 22 41 70 77 2.2-6.7 3.9/3691=15, 3.0/3701=9...(32) HE3 LYS 43 - HB2 LYS 39 far 10 98 10 - 4.5-9.9 HE2 LYS 43 - HB2 LYS 39 far 5 100 5 - 3.5-8.9 HE2 LYS 43 - HB3 LYS 39 lone 4 63 40 15 2.5-7.5 3.9/3681=5, 3567/3.0=3...(5) HE3 LYS 43 - HB3 LYS 39 lone 3 59 35 15 3.0-8.6 3.9/3681=5, 3567/3.0=3...(5) HE2 LYS 73 - HB3 LYS 39 far 0 63 0 - 9.5-15.1 HD3 ARG 118 - HB2 LYS 123 far 0 58 0 - 9.7-14.1 HE2 LYS 73 - HB3 LYS 65 far 0 78 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (7.83, 1.95, 32.05 ppm; 3.11 A): 2 out of 7 assignments used, quality = 0.99: * H LYS 39 + HB3 LYS 39 OK 97 100 100 97 2.9-3.6 1242=51, 3598/2.9=36...(16) H LYS 39 + HB2 LYS 39 OK 61 63 100 97 2.1-3.5 4.0=46, 3598/2.9=36...(17) HE21 GLN 62 - HB2 LYS 65 far 0 22 0 - 5.8-9.1 H ILE 97 - HB2 LYS 65 far 0 42 0 - 6.4-9.4 H ILE 97 - HB3 LYS 65 far 0 38 0 - 6.9-9.0 HE21 GLN 62 - HB2 LYS 39 far 0 34 0 - 9.5-16.4 H VAL 78 - HB2 LYS 123 far 0 36 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 HA LYS 39 + HB2 LYS 39 OK 63 63 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3580 from cnoeabs.peaks (1.93, 1.95, 32.05 ppm; diagonal): 6 out of 6 assignments used, quality = 0.99: 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): 6 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 15 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 63 63 100 100 2.3-3.0 2.9=100 HG2 LYS 96 - HB2 LYS 65 far 0 24 0 - 5.9-8.5 HG2 LYS 96 - HB3 LYS 65 far 0 21 0 - 5.9-8.0 HB3 LEU 38 - HB2 LYS 39 far 0 61 0 - 6.2-7.4 HG3 LYS 44 - HB3 LYS 39 far 0 61 0 - 6.7-9.3 HB3 LEU 38 - HB3 LYS 39 far 0 99 0 - 7.0-7.5 HG3 LYS 44 - HB2 LYS 39 far 0 31 0 - 7.1-9.7 HG LEU 80 - HB2 LYS 65 far 0 25 0 - 7.3-11.2 HG LEU 80 - HB3 LYS 65 far 0 23 0 - 8.3-10.6 HB3 LEU 38 - HB2 LYS 65 far 0 41 0 - 8.6-10.5 HB3 LEU 6 - HB2 LYS 65 far 0 42 0 - 8.9-10.3 HB3 LEU 38 - HB3 LYS 65 far 0 37 0 - 9.1-10.6 HB3 LEU 6 - HB3 LYS 65 far 0 38 0 - 9.2-10.2 HG12 ILE 7 - HB3 LYS 115 far 0 54 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (1.70, 1.95, 32.05 ppm; 2.74 A): 8 out of 23 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 97 100 100 97 2.3-3.0 2.9=85, 3598/4.0=20...(25) HD3 LYS 39 + HB3 LYS 39 OK 95 98 100 96 2.1-3.9 3.5=47, 1.8/3611=17...(45) HD2 LYS 39 + HB3 LYS 39 OK 93 97 100 96 2.2-4.0 3.5=47, 3620/1.8=18...(45) HG3 LYS 39 + HB2 LYS 39 OK 61 63 100 97 2.3-3.0 2.9=85, 3598/4.0=20...(25) HD3 LYS 39 + HB2 LYS 39 OK 57 59 100 96 2.1-4.2 3.5=47, 3621/1.8=17...(45) HD2 LYS 39 + HB2 LYS 39 OK 55 58 100 96 2.2-4.0 3.5=47, 3621/1.8=17...(45) HG3 LYS 123 + HB2 LYS 123 OK 36 36 100 100 2.7-2.7 2.9=81, 7132/7129=34...(36) HD3 LYS 40 + HB3 LYS 39 OK 26 65 80 49 2.4-5.5 2.9/3691=12, 3701=8...(18) HD2 LYS 40 - HB3 LYS 39 poor 16 70 45 52 2.3-6.5 2.9/3691=12, 1.8/3701=9...(21) HD3 LYS 40 - HB2 LYS 39 poor 9 34 60 45 3.2-6.9 ~3691=6, 2.9/3691=5...(21) HD2 LYS 40 - HB2 LYS 39 far 2 36 5 - 2.7-7.7 HD3 LYS 43 - HB3 LYS 39 far 0 77 0 - 5.0-7.8 HD3 LYS 43 - HB2 LYS 39 far 0 41 0 - 5.9-9.1 HD3 LYS 44 - HB2 LYS 39 far 0 61 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 62 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 99 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 100 0 - 7.4-10.9 HD3 LYS 96 - HB2 LYS 65 far 0 25 0 - 7.8-11.1 HD3 LYS 96 - HB3 LYS 65 far 0 23 0 - 7.9-10.1 HD2 LYS 17 - HB3 LYS 115 far 0 29 0 - 8.3-11.7 HD2 LYS 96 - HB2 LYS 65 far 0 22 0 - 8.5-11.1 HG12 ILE 71 - HB3 LYS 65 far 0 36 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 40 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 3584 from cnoeabs.peaks (1.71, 1.95, 32.05 ppm; 2.74 A): 7 out of 13 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 96 100 100 96 2.2-4.0 3.5=47, 3610/1.8=19...(45) HD3 LYS 39 + HB3 LYS 39 OK 96 100 100 96 2.1-3.9 3.5=47, 1.8/3611=17...(45) HG3 LYS 39 + HB3 LYS 39 OK 94 97 100 97 2.3-3.0 2.9=85, 3598/4.0=19...(25) HD2 LYS 39 + HB2 LYS 39 OK 60 63 100 96 2.2-4.0 3.5=47, 3611/1.8=17...(45) HD3 LYS 39 + HB2 LYS 39 OK 60 63 100 96 2.1-4.2 3.5=47, 3611/1.8=17...(45) HG3 LYS 39 + HB2 LYS 39 OK 56 58 100 97 2.3-3.0 2.9=85, 3598/4.0=19...(25) HG3 LYS 123 + HB2 LYS 123 OK 32 33 100 100 2.7-2.7 2.9=81, 7114/7129=32...(36) HD3 LYS 44 - HB2 LYS 39 far 0 62 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 60 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 100 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 99 0 - 7.4-10.9 HG12 ILE 71 - HB3 LYS 65 far 0 29 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 32 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 3585 from cnoeabs.peaks (1.70, 1.95, 32.05 ppm; 2.74 A): 7 out of 13 assignments used, quality = 1.00: HD2 LYS 39 + HB3 LYS 39 OK 96 100 100 96 2.2-4.0 3.5=47, 3610/1.8=19...(45) * HD3 LYS 39 + HB3 LYS 39 OK 96 100 100 96 2.1-3.9 3.5=47, 1.8/3611=17...(45) HG3 LYS 39 + HB3 LYS 39 OK 95 98 100 97 2.3-3.0 2.9=85, 3598/4.0=19...(25) HD3 LYS 39 + HB2 LYS 39 OK 60 63 100 96 2.1-4.2 3.5=47, 3611/1.8=17...(45) HD2 LYS 39 + HB2 LYS 39 OK 60 63 100 96 2.2-4.0 3.5=47, 3611/1.8=17...(45) HG3 LYS 39 + HB2 LYS 39 OK 57 59 100 97 2.3-3.0 2.9=85, 3598/4.0=19...(25) HG3 LYS 123 + HB2 LYS 123 OK 33 33 100 100 2.7-2.7 2.9=81, 7132/7129=33...(36) HD3 LYS 44 - HB2 LYS 39 far 0 62 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 61 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 100 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 99 0 - 7.4-10.9 HG12 ILE 71 - HB3 LYS 65 far 0 30 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 33 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 3586 from cnoeabs.peaks (2.98, 1.95, 32.05 ppm; 3.90 A): 8 out of 16 assignments used, quality = 1.00: * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-4.6 5.0=47, 3642/2.9=37...(56) HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.9-4.7 5.0=47, 3642/2.9=37...(60) HE2 LYS 39 + HB2 LYS 39 OK 63 63 100 100 2.6-4.6 5.0=47, 3642/2.9=37...(56) HE3 LYS 39 + HB2 LYS 39 OK 62 62 100 100 3.0-5.3 5.0=47, 3642/2.9=37...(60) HE3 LYS 40 + HB3 LYS 39 OK 54 84 80 81 2.2-6.7 3.9/3691=18, 3.0/3701=10...(35) HE2 LYS 40 + HB3 LYS 39 OK 50 90 70 79 2.0-5.7 3.9/3691=18, 3.0/3701=10...(31) HD3 ARG 118 + HB3 LYS 115 OK 27 49 70 78 3.1-7.1 10540/3.0=48, ~10539=32...(4) HE2 LYS 40 + HB2 LYS 39 OK 22 50 60 73 2.1-7.2 3606/2.9=10, 3596/2.9=10...(31) HE3 LYS 40 - HB2 LYS 39 poor 19 46 55 76 3.4-7.7 3.9/3691=8, 1257/4.3=8...(33) HE2 LYS 43 - HB3 LYS 39 lone 8 100 45 17 2.5-7.5 3.9/3681=6, 3567/3.0=3...(5) HE3 LYS 43 - HB2 LYS 39 far 6 61 10 - 4.5-9.9 HE3 LYS 43 - HB3 LYS 39 lone 6 99 35 17 3.0-8.6 3.9/3681=6, 3567/3.0=3...(6) HE2 LYS 43 - HB2 LYS 39 far 3 63 5 - 3.5-8.9 HE2 LYS 73 - HB3 LYS 39 far 0 100 0 - 9.5-15.1 HD3 ARG 118 - HB2 LYS 123 far 0 32 0 - 9.7-14.1 HE2 LYS 73 - HB3 LYS 65 far 0 38 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3587 from cnoeabs.peaks (2.98, 1.95, 32.05 ppm; 3.90 A): 8 out of 16 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.9-4.7 5.0=47, 3642/2.9=37...(60) HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-4.6 5.0=47, 3642/2.9=37...(56) HE3 LYS 39 + HB2 LYS 39 OK 63 63 100 100 3.0-5.3 5.0=47, 3642/2.9=37...(60) HE2 LYS 39 + HB2 LYS 39 OK 62 62 100 100 2.6-4.6 5.0=47, 3642/2.9=37...(56) HE3 LYS 40 + HB3 LYS 39 OK 50 77 80 81 2.2-6.7 3.9/3691=18, 3.0/3701=10...(35) HE2 LYS 40 + HB3 LYS 39 OK 46 84 70 79 2.0-5.7 3.9/3691=18, 3.0/3701=10...(31) HD3 ARG 118 + HB3 LYS 115 OK 25 45 70 77 3.1-7.1 10540/3.0=45, ~10539=32...(4) HE2 LYS 40 + HB2 LYS 39 OK 20 46 60 73 2.1-7.2 3606/2.9=10, 3596/2.9=10...(31) HE3 LYS 40 - HB2 LYS 39 poor 17 41 55 76 3.4-7.7 3.9/3691=8, 1257/4.3=7...(33) HE2 LYS 43 - HB3 LYS 39 lone 8 100 45 17 2.5-7.5 3.9/3681=6, 3567/3.0=3...(5) HE3 LYS 43 - HB2 LYS 39 far 6 59 10 - 4.5-9.9 HE3 LYS 43 - HB3 LYS 39 lone 6 98 35 17 3.0-8.6 3.9/3681=6, 3567/3.0=3...(5) HE2 LYS 43 - HB2 LYS 39 far 3 63 5 - 3.5-8.9 HE2 LYS 73 - HB3 LYS 39 far 0 100 0 - 9.5-15.1 HD3 ARG 118 - HB2 LYS 123 far 0 29 0 - 9.7-14.1 HE2 LYS 73 - HB3 LYS 65 far 0 38 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3588 from cnoeabs.peaks (7.83, 1.46, 25.42 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.4 3598/1.8=84, 3.0/3562=75...(22) HE21 GLN 62 - HG2 LYS 39 far 0 65 0 - 9.4-15.4 Violated in 3 structures by 0.02 A. 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 100 100 100 100 2.5-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 3590 from cnoeabs.peaks (1.93, 1.46, 25.42 ppm; 3.39 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 81 81 100 100 2.3-3.0 2.9=100 HB3 LYS 40 - HG2 LYS 39 far 9 90 10 - 4.5-8.0 HB2 GLU 41 - HG2 LYS 39 far 0 73 0 - 5.6-8.4 HB3 GLU 41 - HG2 LYS 39 far 0 77 0 - 6.7-9.7 HB3 MET 42 - HG2 LYS 39 far 0 73 0 - 7.0-9.3 HB2 LEU 70 - HG2 LYS 39 far 0 96 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (1.95, 1.46, 25.42 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 39 + HG2 LYS 39 OK 81 81 100 100 2.3-3.0 2.9=100 HB3 LYS 40 - HG2 LYS 39 far 10 100 10 - 4.5-8.0 HB2 GLU 41 - HG2 LYS 39 far 0 100 0 - 5.6-8.4 HB3 GLU 41 - HG2 LYS 39 far 0 100 0 - 6.7-9.7 HB3 MET 42 - HG2 LYS 39 far 0 100 0 - 7.0-9.3 HB2 LEU 70 - HG2 LYS 39 far 0 98 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. 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): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 + HG2 LYS 39 OK 94 98 100 96 2.3-3.0 3.0=69, 1.8/3612=20...(44) HD2 LYS 39 + HG2 LYS 39 OK 93 97 100 96 2.3-3.0 3.0=69, 1.8/3612=20...(44) HD3 LYS 40 - HG2 LYS 39 far 7 65 10 - 2.8-7.7 HD2 LYS 40 - HG2 LYS 39 far 3 70 5 - 1.7-8.6 HD3 LYS 43 - HG2 LYS 39 far 0 77 0 - 6.1-9.5 HD3 LYS 44 - HG2 LYS 39 far 0 99 0 - 7.2-12.6 HD2 LYS 44 - HG2 LYS 39 far 0 100 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (1.71, 1.46, 25.42 ppm; 2.62 A): 3 out of 5 assignments used, quality = 1.00: HG3 LYS 39 + HG2 LYS 39 OK 97 97 100 100 1.8-1.8 1.8=100 * HD2 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=69, 1.8/3612=20...(44) HD3 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=69, 1.8/3612=20...(44) HD3 LYS 44 - HG2 LYS 39 far 0 100 0 - 7.2-12.6 HD2 LYS 44 - HG2 LYS 39 far 0 99 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 3595 from cnoeabs.peaks (1.70, 1.46, 25.42 ppm; 2.62 A): 3 out of 5 assignments used, quality = 1.00: HG3 LYS 39 + HG2 LYS 39 OK 98 98 100 100 1.8-1.8 1.8=100 HD2 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=69, 1.8/3612=20...(44) * HD3 LYS 39 + HG2 LYS 39 OK 96 100 100 96 2.3-3.0 3.0=69, 1.8/3612=20...(44) HD3 LYS 44 - HG2 LYS 39 far 0 100 0 - 7.2-12.6 HD2 LYS 44 - HG2 LYS 39 far 0 99 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 3596 from cnoeabs.peaks (2.98, 1.46, 25.42 ppm; 4.04 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-4.0 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-3.6 3.6=100 HE2 LYS 40 + HG2 LYS 39 OK 45 90 75 67 3.0-7.7 7.5/7475=15, 3606/1.8=13...(24) HE3 LYS 40 + HG2 LYS 39 OK 23 84 40 69 3.4-8.3 7.5/7475=15, ~3606=9...(23) HE2 LYS 43 - HG2 LYS 39 far 15 100 15 - 5.0-9.6 HE3 LYS 43 - HG2 LYS 39 far 10 99 10 - 5.1-9.3 Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (2.98, 1.46, 25.42 ppm; 4.04 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-3.6 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-4.0 3.6=100 HE2 LYS 40 + HG2 LYS 39 OK 42 84 75 67 3.0-7.7 7.5/7475=15, 3606/1.8=13...(24) HE3 LYS 40 + HG2 LYS 39 OK 21 77 40 69 3.4-8.3 7.5/7475=15, ~3606=9...(23) HE2 LYS 43 - HG2 LYS 39 far 15 100 15 - 5.0-9.6 HE3 LYS 43 - HG2 LYS 39 far 10 98 10 - 5.1-9.3 Violated in 0 structures by 0.00 A. Peak 3598 from cnoeabs.peaks (7.83, 1.70, 25.42 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.9-3.9 3588/1.8=68, 4.9=53...(19) HE21 GLN 62 - HG3 LYS 39 far 0 65 0 - 8.0-15.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 3600 from cnoeabs.peaks (1.93, 1.70, 25.42 ppm; 3.33 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 81 81 100 100 2.3-3.0 2.9=100 HB2 LYS 123 + HG3 LYS 123 OK 68 68 100 100 2.7-2.7 2.9=100 HB3 LYS 40 - HG3 LYS 39 far 4 90 5 - 4.5-8.1 HB2 GLU 41 - HG3 LYS 39 far 0 73 0 - 5.4-9.4 HB3 MET 42 - HG3 LYS 39 far 0 73 0 - 6.9-8.4 HB3 GLU 41 - HG3 LYS 39 far 0 77 0 - 7.1-9.1 HB2 LEU 127 - HG3 LYS 123 far 0 68 0 - 7.6-10.7 HB2 LEU 70 - HG3 LYS 39 far 0 96 0 - 8.3-11.4 HG2 MET 121 - HG3 LYS 123 far 0 40 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 3601 from cnoeabs.peaks (1.95, 1.70, 25.42 ppm; 3.38 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 81 81 100 100 2.3-3.0 2.9=100 HB2 LYS 123 + HG3 LYS 123 OK 48 48 100 100 2.7-2.7 2.9=100 HB3 LYS 40 - HG3 LYS 39 far 5 100 5 - 4.5-8.1 HB2 GLU 41 - HG3 LYS 39 far 0 100 0 - 5.4-9.4 HB3 MET 42 - HG3 LYS 39 far 0 100 0 - 6.9-8.4 HB3 GLU 41 - HG3 LYS 39 far 0 100 0 - 7.1-9.1 HB2 LEU 127 - HG3 LYS 123 far 0 45 0 - 7.6-10.7 HB2 LEU 70 - HG3 LYS 39 far 0 98 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 3602 from cnoeabs.peaks (1.46, 1.70, 25.42 ppm; 2.78 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 38 - HG3 LYS 39 far 0 99 0 - 5.6-7.4 HG3 LYS 44 - HG3 LYS 39 far 0 61 0 - 5.9-11.5 Violated in 0 structures by 0.00 A. 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): 3 out of 7 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-4.2 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 40 + HG3 LYS 39 OK 44 90 75 65 4.1-8.5 7.5/7476=15, 3596/1.8=13...(23) HE3 LYS 40 - HG3 LYS 39 poor 18 84 30 70 3.9-9.0 7.5/7476=15, ~3596=9...(25) HE2 LYS 43 - HG3 LYS 39 far 10 100 10 - 5.0-9.1 HE3 LYS 43 - HG3 LYS 39 far 10 99 10 - 5.2-9.2 HD3 ARG 118 - HG3 LYS 123 far 0 61 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 3607 from cnoeabs.peaks (2.98, 1.70, 25.42 ppm; 4.02 A): 3 out of 7 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-4.2 3.6=100 HE2 LYS 40 + HG3 LYS 39 OK 41 84 75 65 4.1-8.5 7.5/7476=15, 3596/1.8=13...(23) HE3 LYS 40 - HG3 LYS 39 poor 16 77 30 70 3.9-9.0 7.5/7476=15, ~3596=9...(25) HE2 LYS 43 - HG3 LYS 39 far 10 100 10 - 5.0-9.1 HE3 LYS 43 - HG3 LYS 39 far 10 98 10 - 5.2-9.2 HD3 ARG 118 - HG3 LYS 123 far 0 57 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 3608 from cnoeabs.peaks (7.83, 1.71, 29.31 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.9-4.7 3598/3.0=61, 3588/3.0=56...(20) H LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.4-5.4 3598/3.0=61, 3588/3.0=56...(20) H LYS 39 - HD3 LYS 44 far 0 86 0 - 6.9-11.0 H LYS 39 - HD2 LYS 44 far 0 83 0 - 7.4-10.9 HE21 GLN 62 - HD3 LYS 39 far 0 65 0 - 8.9-16.5 HE21 GLN 62 - HD2 LYS 39 far 0 65 0 - 9.9-15.8 Violated in 5 structures by 0.03 A. Peak 3609 from cnoeabs.peaks (3.84, 1.71, 29.31 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 1.7-5.4 3562/3.0=74, 5.3=51...(44) HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-5.5 3562/3.0=74, 5.3=51...(44) HA LYS 39 - HD3 LYS 44 far 0 86 0 - 7.2-10.6 HA LYS 39 - HD2 LYS 44 far 0 83 0 - 8.0-10.7 Violated in 7 structures by 0.05 A. Peak 3610 from cnoeabs.peaks (1.93, 1.71, 29.31 ppm; 2.64 A): 4 out of 29 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 95 100 100 95 2.2-4.0 3.5=42, 2.9/3594=14...(49) HB3 LYS 39 + HD2 LYS 39 OK 76 81 100 95 2.2-4.0 3.5=42, 2.9/3594=14...(49) HB3 LYS 39 + HD3 LYS 39 OK 76 80 100 95 2.1-3.9 3.5=42, 2.9/3594=14...(49) HB2 LYS 39 + HD3 LYS 39 OK 71 100 75 95 2.1-4.2 3.5=42, 2.9/3594=14...(49) HB3 LYS 40 - HD3 LYS 44 poor 14 72 75 25 2.5-6.0 8046/3907=12, 7082=3...(5) HB3 LYS 40 - HD2 LYS 44 poor 12 68 75 24 2.1-6.0 8046/3907=12, 7082=3...(6) HB2 GLU 41 - HD3 LYS 44 far 0 57 0 - 5.0-8.6 HB3 MET 42 - HD2 LYS 39 far 0 73 0 - 5.2-10.1 HB3 GLU 41 - HD3 LYS 44 far 0 60 0 - 5.3-8.6 HB3 LYS 40 - HD3 LYS 39 far 0 89 0 - 5.4-9.2 HB3 LYS 40 - HD2 LYS 39 far 0 90 0 - 5.7-8.9 HB2 GLU 41 - HD2 LYS 39 far 0 73 0 - 6.0-9.5 HB3 MET 42 - HD3 LYS 39 far 0 73 0 - 6.3-9.7 HB2 GLU 41 - HD2 LYS 44 far 0 54 0 - 6.3-8.4 HB2 LEU 70 - HD2 LYS 39 far 0 96 0 - 6.3-12.1 HB2 LYS 39 - HD3 LYS 44 far 0 86 0 - 6.9-11.6 HB3 GLU 41 - HD2 LYS 44 far 0 57 0 - 6.9-8.5 HB2 LYS 39 - HD2 LYS 44 far 0 83 0 - 6.9-11.9 HB2 GLU 41 - HD3 LYS 39 far 0 73 0 - 7.0-9.8 HB2 LEU 70 - HD3 LYS 39 far 0 95 0 - 7.1-13.1 HB3 LYS 39 - HD3 LYS 44 far 0 63 0 - 7.1-10.4 HB3 MET 42 - HD3 LYS 44 far 0 57 0 - 7.3-10.0 HB3 LYS 39 - HD2 LYS 44 far 0 60 0 - 7.4-10.9 HB3 GLU 41 - HD2 LYS 39 far 0 77 0 - 7.5-10.3 HB3 GLU 41 - HD3 LYS 39 far 0 77 0 - 8.0-10.4 HB3 MET 42 - HD2 LYS 44 far 0 54 0 - 8.5-10.0 HB3 GLU 52 - HD2 LYS 44 far 0 47 0 - 9.4-15.3 HB3 GLU 52 - HD3 LYS 44 far 0 50 0 - 9.7-14.9 HB2 LEU 70 - HD3 LYS 44 far 0 79 0 - 9.9-12.5 Violated in 1 structures by 0.00 A. Peak 3611 from cnoeabs.peaks (1.95, 1.71, 29.31 ppm; 2.67 A): 4 out of 29 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 96 100 100 96 2.2-4.0 3.5=43, 2.9/3594=15...(49) HB3 LYS 39 + HD3 LYS 39 OK 96 100 100 96 2.1-3.9 3.5=43, 2.9/3594=15...(49) HB2 LYS 39 + HD2 LYS 39 OK 77 81 100 95 2.2-4.0 3.5=43, 2.9/3594=15...(49) HB2 LYS 39 + HD3 LYS 39 OK 69 80 90 95 2.1-4.2 3.5=43, 2.9/3594=15...(49) HB3 LYS 40 - HD3 LYS 44 poor 17 85 75 27 2.5-6.0 8046/3907=14, 3674/1.8=3...(6) HB3 LYS 40 - HD2 LYS 44 poor 16 82 75 25 2.1-6.0 8046/3907=14, ~6104=2...(6) HB2 GLU 41 - HD3 LYS 44 far 0 86 0 - 5.0-8.6 HB3 MET 42 - HD2 LYS 39 far 0 100 0 - 5.2-10.1 HB3 GLU 41 - HD3 LYS 44 far 0 86 0 - 5.3-8.6 HB3 LYS 40 - HD3 LYS 39 far 0 100 0 - 5.4-9.2 HB3 LYS 40 - HD2 LYS 39 far 0 100 0 - 5.7-8.9 HB2 GLU 41 - HD2 LYS 39 far 0 100 0 - 6.0-9.5 HB3 MET 42 - HD3 LYS 39 far 0 100 0 - 6.3-9.7 HB2 GLU 41 - HD2 LYS 44 far 0 82 0 - 6.3-8.4 HB2 LEU 70 - HD2 LYS 39 far 0 98 0 - 6.3-12.1 HB2 LYS 39 - HD3 LYS 44 far 0 63 0 - 6.9-11.6 HB3 GLU 41 - HD2 LYS 44 far 0 83 0 - 6.9-8.5 HB2 LYS 39 - HD2 LYS 44 far 0 60 0 - 6.9-11.9 HB2 GLU 41 - HD3 LYS 39 far 0 100 0 - 7.0-9.8 HB2 LEU 70 - HD3 LYS 39 far 0 98 0 - 7.1-13.1 HB3 LYS 39 - HD3 LYS 44 far 0 86 0 - 7.1-10.4 HB3 MET 42 - HD3 LYS 44 far 0 86 0 - 7.3-10.0 HB3 LYS 39 - HD2 LYS 44 far 0 83 0 - 7.4-10.9 HB3 GLU 41 - HD2 LYS 39 far 0 100 0 - 7.5-10.3 HB3 GLU 41 - HD3 LYS 39 far 0 100 0 - 8.0-10.4 HB3 MET 42 - HD2 LYS 44 far 0 82 0 - 8.5-10.0 HB3 GLU 52 - HD2 LYS 44 far 0 81 0 - 9.4-15.3 HB3 GLU 52 - HD3 LYS 44 far 0 84 0 - 9.7-14.9 HB2 LEU 70 - HD3 LYS 44 far 0 82 0 - 9.9-12.5 Violated in 1 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (1.46, 1.71, 29.31 ppm; 2.79 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=83, 3594/1.8=23...(47) HG2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=83, 3594/1.8=23...(47) HG3 LYS 44 + HD3 LYS 44 OK 46 47 100 100 2.5-3.0 2.9=85, 1.8/3964=26...(70) HG3 LYS 44 + HD2 LYS 44 OK 44 44 100 100 2.3-3.0 2.9=85, 1.8/3964=26...(69) HG3 LYS 49 - HD3 LYS 44 far 0 86 0 - 5.0-14.7 HG2 LYS 49 - HD3 LYS 44 far 0 86 0 - 5.4-15.4 HB3 LEU 38 - HD2 LYS 39 far 0 99 0 - 5.5-8.7 HB3 LEU 38 - HD3 LYS 39 far 0 99 0 - 5.9-8.9 HG3 LYS 49 - HD2 LYS 44 far 0 83 0 - 6.3-14.5 HG2 LYS 49 - HD2 LYS 44 far 0 83 0 - 6.9-15.1 HG2 LYS 39 - HD3 LYS 44 far 0 86 0 - 7.2-12.6 HG LEU 4 - HD2 LYS 44 far 0 78 0 - 7.2-13.9 HG3 ARG 30 - HD2 LYS 44 far 0 80 0 - 7.4-11.7 HG3 LYS 44 - HD3 LYS 39 far 0 61 0 - 7.7-12.0 HG3 LYS 44 - HD2 LYS 39 far 0 61 0 - 7.8-11.7 HB3 LEU 38 - HD3 LYS 44 far 0 84 0 - 8.3-12.4 HG2 LYS 39 - HD2 LYS 44 far 0 83 0 - 8.3-12.8 HG LEU 4 - HD3 LYS 44 far 0 82 0 - 8.4-14.5 HG3 ARG 30 - HD3 LYS 44 far 0 83 0 - 8.6-11.7 HB2 LEU 74 - HD2 LYS 44 far 0 73 0 - 8.8-15.1 HB3 LEU 38 - HD2 LYS 44 far 0 81 0 - 9.3-12.2 HB2 LEU 74 - HD3 LYS 44 far 0 76 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. 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 29 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) HE2 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) HE3 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(24) HE3 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.4-3.0 3.0=72, 3642/3.0=18...(23) HE2 LYS 43 - HD2 LYS 39 far 10 100 10 - 3.2-9.8 HE2 LYS 40 - HD3 LYS 39 lone 6 89 50 14 2.5-8.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 43 - HD3 LYS 39 far 5 100 5 - 2.9-9.7 HE3 LYS 43 - HD2 LYS 39 far 5 99 5 - 3.5-9.5 HE3 LYS 43 - HD3 LYS 39 far 5 99 5 - 3.1-9.4 HE3 LYS 40 - HD2 LYS 39 far 4 84 5 - 4.0-8.1 HE3 LYS 40 - HD3 LYS 39 lone 4 84 25 19 3.0-8.9 ~3596=2, ~3606=2...(10) HE2 LYS 40 - HD2 LYS 39 lone 3 90 25 15 3.0-7.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 40 - HD3 LYS 44 far 0 72 0 - 5.1-10.7 HE3 LYS 40 - HD3 LYS 44 far 0 66 0 - 5.2-10.4 HE3 LYS 40 - HD2 LYS 44 far 0 63 0 - 5.8-10.8 HE2 LYS 40 - HD2 LYS 44 far 0 68 0 - 6.1-10.7 HE2 LYS 39 - HD3 LYS 44 far 0 86 0 - 7.2-13.9 HE3 LYS 39 - HD3 LYS 44 far 0 86 0 - 7.3-14.6 HE2 LYS 43 - HD2 LYS 44 far 0 83 0 - 8.0-12.3 HE3 LYS 39 - HD2 LYS 44 far 0 82 0 - 8.2-15.0 HE2 LYS 39 - HD2 LYS 44 far 0 83 0 - 8.4-14.2 HE3 LYS 43 - HD3 LYS 44 far 0 84 0 - 8.6-11.5 HE2 LYS 73 - HD2 LYS 39 far 0 100 0 - 8.7-17.1 HE2 LYS 43 - HD3 LYS 44 far 0 86 0 - 8.7-12.0 HE2 LYS 73 - HD3 LYS 39 far 0 100 0 - 8.8-17.4 HE3 LYS 43 - HD2 LYS 44 far 0 81 0 - 8.8-12.0 HE3 LYS 73 - HD2 LYS 39 far 0 100 0 - 9.3-16.2 HE3 LYS 73 - HD3 LYS 39 far 0 100 0 - 9.7-16.2 HB3 PHE 51 - HD2 LYS 44 far 0 66 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 3617 from cnoeabs.peaks (2.98, 1.71, 29.31 ppm; 2.64 A): 4 out of 29 assignments used, quality = 1.00: HE2 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(24) * HE3 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) HE3 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.4-3.0 3.0=72, 3642/3.0=18...(23) HE2 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) HE3 LYS 40 - HD3 LYS 39 poor 19 77 25 - 3.0-8.9 HE2 LYS 43 - HD2 LYS 39 far 10 100 10 - 3.2-9.8 HE2 LYS 40 - HD3 LYS 39 lone 6 84 50 14 2.5-8.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 43 - HD3 LYS 39 far 5 100 5 - 2.9-9.7 HE3 LYS 43 - HD2 LYS 39 far 5 98 5 - 3.5-9.5 HE3 LYS 43 - HD3 LYS 39 far 5 98 5 - 3.1-9.4 HE3 LYS 40 - HD2 LYS 39 far 4 77 5 - 4.0-8.1 HE2 LYS 40 - HD2 LYS 39 lone 3 84 25 15 3.0-7.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 40 - HD3 LYS 44 far 0 66 0 - 5.1-10.7 HE3 LYS 40 - HD3 LYS 44 far 0 60 0 - 5.2-10.4 HE3 LYS 40 - HD2 LYS 44 far 0 57 0 - 5.8-10.8 HE2 LYS 40 - HD2 LYS 44 far 0 63 0 - 6.1-10.7 HE2 LYS 39 - HD3 LYS 44 far 0 86 0 - 7.2-13.9 HE3 LYS 39 - HD3 LYS 44 far 0 86 0 - 7.3-14.6 HE2 LYS 43 - HD2 LYS 44 far 0 83 0 - 8.0-12.3 HE3 LYS 39 - HD2 LYS 44 far 0 83 0 - 8.2-15.0 HE2 LYS 39 - HD2 LYS 44 far 0 82 0 - 8.4-14.2 HE3 LYS 43 - HD3 LYS 44 far 0 82 0 - 8.6-11.5 HE2 LYS 73 - HD2 LYS 39 far 0 100 0 - 8.7-17.1 HE2 LYS 43 - HD3 LYS 44 far 0 86 0 - 8.7-12.0 HE2 LYS 73 - HD3 LYS 39 far 0 100 0 - 8.8-17.4 HE3 LYS 43 - HD2 LYS 44 far 0 78 0 - 8.8-12.0 HE3 LYS 73 - HD2 LYS 39 far 0 99 0 - 9.3-16.2 HE3 LYS 73 - HD3 LYS 39 far 0 99 0 - 9.7-16.2 HB3 PHE 51 - HD2 LYS 44 far 0 60 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (7.83, 1.70, 29.31 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: H LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.9-4.7 3598/3.0=61, 3588/3.0=56...(20) * H LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.4-5.4 3598/3.0=61, 3588/3.0=56...(20) H LYS 39 - HD3 LYS 44 far 0 87 0 - 6.9-11.0 H LYS 39 - HD2 LYS 44 far 0 85 0 - 7.4-10.9 HE21 GLN 62 - HD3 LYS 39 far 0 65 0 - 8.9-16.5 HE21 GLN 62 - HD2 LYS 39 far 0 65 0 - 9.9-15.8 Violated in 5 structures by 0.03 A. Peak 3619 from cnoeabs.peaks (3.84, 1.70, 29.31 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-5.5 3562/3.0=74, 5.3=51...(44) HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 1.7-5.4 3562/3.0=74, 5.3=51...(44) HA LYS 39 - HD3 LYS 44 far 0 87 0 - 7.2-10.6 HA LYS 39 - HD2 LYS 44 far 0 85 0 - 8.0-10.7 Violated in 7 structures by 0.05 A. Peak 3620 from cnoeabs.peaks (1.93, 1.70, 29.31 ppm; 2.64 A): 4 out of 29 assignments used, quality = 1.00: HB2 LYS 39 + HD2 LYS 39 OK 95 100 100 95 2.2-4.0 3.5=42, 2.9/3594=14...(49) HB3 LYS 39 + HD3 LYS 39 OK 76 81 100 95 2.1-3.9 3.5=42, 2.9/3594=14...(49) HB3 LYS 39 + HD2 LYS 39 OK 76 80 100 95 2.2-4.0 3.5=42, 2.9/3594=14...(49) * HB2 LYS 39 + HD3 LYS 39 OK 71 100 75 95 2.1-4.2 3.5=42, 2.9/3594=14...(49) HB3 LYS 40 - HD3 LYS 44 poor 14 73 75 25 2.5-6.0 8046/3907=12, 7082=3...(6) HB3 LYS 40 - HD2 LYS 44 poor 13 70 75 24 2.1-6.0 8046/3907=12, 7082=3...(6) HB2 GLU 41 - HD3 LYS 44 far 0 58 0 - 5.0-8.6 HB3 MET 42 - HD2 LYS 39 far 0 73 0 - 5.2-10.1 HB3 GLU 41 - HD3 LYS 44 far 0 61 0 - 5.3-8.6 HB3 LYS 40 - HD3 LYS 39 far 0 90 0 - 5.4-9.2 HB3 LYS 40 - HD2 LYS 39 far 0 89 0 - 5.7-8.9 HB2 GLU 41 - HD2 LYS 39 far 0 73 0 - 6.0-9.5 HB3 MET 42 - HD3 LYS 39 far 0 73 0 - 6.3-9.7 HB2 GLU 41 - HD2 LYS 44 far 0 55 0 - 6.3-8.4 HB2 LEU 70 - HD2 LYS 39 far 0 95 0 - 6.3-12.1 HB2 LYS 39 - HD3 LYS 44 far 0 87 0 - 6.9-11.6 HB3 GLU 41 - HD2 LYS 44 far 0 59 0 - 6.9-8.5 HB2 LYS 39 - HD2 LYS 44 far 0 85 0 - 6.9-11.9 HB2 GLU 41 - HD3 LYS 39 far 0 73 0 - 7.0-9.8 HB2 LEU 70 - HD3 LYS 39 far 0 96 0 - 7.1-13.1 HB3 LYS 39 - HD3 LYS 44 far 0 64 0 - 7.1-10.4 HB3 MET 42 - HD3 LYS 44 far 0 58 0 - 7.3-10.0 HB3 LYS 39 - HD2 LYS 44 far 0 62 0 - 7.4-10.9 HB3 GLU 41 - HD2 LYS 39 far 0 77 0 - 7.5-10.3 HB3 GLU 41 - HD3 LYS 39 far 0 77 0 - 8.0-10.4 HB3 MET 42 - HD2 LYS 44 far 0 55 0 - 8.5-10.0 HB3 GLU 52 - HD2 LYS 44 far 0 49 0 - 9.4-15.3 HB3 GLU 52 - HD3 LYS 44 far 0 51 0 - 9.7-14.9 HB2 LEU 70 - HD3 LYS 44 far 0 80 0 - 9.9-12.5 Violated in 1 structures by 0.00 A. Peak 3621 from cnoeabs.peaks (1.95, 1.70, 29.31 ppm; 2.67 A): 4 out of 29 assignments used, quality = 1.00: HB3 LYS 39 + HD2 LYS 39 OK 96 100 100 96 2.2-4.0 3.5=43, 2.9/3594=15...(49) * HB3 LYS 39 + HD3 LYS 39 OK 96 100 100 96 2.1-3.9 3.5=43, 2.9/3594=15...(49) HB2 LYS 39 + HD2 LYS 39 OK 76 80 100 95 2.2-4.0 3.5=43, 2.9/3594=15...(49) HB2 LYS 39 + HD3 LYS 39 OK 69 81 90 95 2.1-4.2 3.5=43, 2.9/3594=15...(49) HB3 LYS 40 - HD3 LYS 44 poor 18 86 75 27 2.5-6.0 8046/3907=14, 3674/1.8=3...(6) HB3 LYS 40 - HD2 LYS 44 poor 16 84 75 25 2.1-6.0 8046/3907=14...(6) HB2 GLU 41 - HD3 LYS 44 far 0 87 0 - 5.0-8.6 HB3 MET 42 - HD2 LYS 39 far 0 100 0 - 5.2-10.1 HB3 GLU 41 - HD3 LYS 44 far 0 87 0 - 5.3-8.6 HB3 LYS 40 - HD3 LYS 39 far 0 100 0 - 5.4-9.2 HB3 LYS 40 - HD2 LYS 39 far 0 100 0 - 5.7-8.9 HB2 GLU 41 - HD2 LYS 39 far 0 100 0 - 6.0-9.5 HB3 MET 42 - HD3 LYS 39 far 0 100 0 - 6.3-9.7 HB2 GLU 41 - HD2 LYS 44 far 0 84 0 - 6.3-8.4 HB2 LEU 70 - HD2 LYS 39 far 0 98 0 - 6.3-12.1 HB2 LYS 39 - HD3 LYS 44 far 0 64 0 - 6.9-11.6 HB3 GLU 41 - HD2 LYS 44 far 0 85 0 - 6.9-8.5 HB2 LYS 39 - HD2 LYS 44 far 0 62 0 - 6.9-11.9 HB2 GLU 41 - HD3 LYS 39 far 0 100 0 - 7.0-9.8 HB2 LEU 70 - HD3 LYS 39 far 0 98 0 - 7.1-13.1 HB3 LYS 39 - HD3 LYS 44 far 0 87 0 - 7.1-10.4 HB3 MET 42 - HD3 LYS 44 far 0 87 0 - 7.3-10.0 HB3 LYS 39 - HD2 LYS 44 far 0 85 0 - 7.4-10.9 HB3 GLU 41 - HD2 LYS 39 far 0 100 0 - 7.5-10.3 HB3 GLU 41 - HD3 LYS 39 far 0 100 0 - 8.0-10.4 HB3 MET 42 - HD2 LYS 44 far 0 84 0 - 8.5-10.0 HB3 GLU 52 - HD2 LYS 44 far 0 83 0 - 9.4-15.3 HB3 GLU 52 - HD3 LYS 44 far 0 85 0 - 9.7-14.9 HB2 LEU 70 - HD3 LYS 44 far 0 83 0 - 9.9-12.5 Violated in 1 structures by 0.00 A. Peak 3622 from cnoeabs.peaks (1.46, 1.70, 29.31 ppm; 2.79 A): 4 out of 22 assignments used, quality = 1.00: HG2 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=83, 3594/1.8=23...(47) * HG2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.0 3.0=83, 3594/1.8=23...(47) HG3 LYS 44 + HD3 LYS 44 OK 47 47 100 100 2.5-3.0 2.9=85, 1.8/3964=27...(70) HG3 LYS 44 + HD2 LYS 44 OK 45 46 100 100 2.3-3.0 2.9=85, 1.8/3964=27...(69) HG3 LYS 49 - HD3 LYS 44 far 0 87 0 - 5.0-14.7 HG2 LYS 49 - HD3 LYS 44 far 0 87 0 - 5.4-15.4 HB3 LEU 38 - HD2 LYS 39 far 0 99 0 - 5.5-8.7 HB3 LEU 38 - HD3 LYS 39 far 0 99 0 - 5.9-8.9 HG3 LYS 49 - HD2 LYS 44 far 0 85 0 - 6.3-14.5 HG2 LYS 49 - HD2 LYS 44 far 0 85 0 - 6.9-15.1 HG2 LYS 39 - HD3 LYS 44 far 0 87 0 - 7.2-12.6 HG LEU 4 - HD2 LYS 44 far 0 80 0 - 7.2-13.9 HG3 ARG 30 - HD2 LYS 44 far 0 82 0 - 7.4-11.7 HG3 LYS 44 - HD3 LYS 39 far 0 61 0 - 7.7-12.0 HG3 LYS 44 - HD2 LYS 39 far 0 61 0 - 7.8-11.7 HB3 LEU 38 - HD3 LYS 44 far 0 85 0 - 8.3-12.4 HG2 LYS 39 - HD2 LYS 44 far 0 85 0 - 8.3-12.8 HG LEU 4 - HD3 LYS 44 far 0 83 0 - 8.4-14.5 HG3 ARG 30 - HD3 LYS 44 far 0 84 0 - 8.6-11.7 HB2 LEU 74 - HD2 LYS 44 far 0 75 0 - 8.8-15.1 HB3 LEU 38 - HD2 LYS 44 far 0 83 0 - 9.3-12.2 HB2 LEU 74 - HD3 LYS 44 far 0 78 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. 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 29 assignments used, quality = 1.00: HE2 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) * HE2 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) HE3 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(24) HE3 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.4-3.0 3.0=72, 3642/3.0=18...(23) HE2 LYS 43 - HD2 LYS 39 far 10 100 10 - 3.2-9.8 HE2 LYS 40 - HD3 LYS 39 lone 6 90 50 14 2.5-8.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 43 - HD3 LYS 39 far 5 100 5 - 2.9-9.7 HE3 LYS 43 - HD3 LYS 39 far 5 99 5 - 3.1-9.4 HE3 LYS 43 - HD2 LYS 39 far 5 99 5 - 3.5-9.5 HE3 LYS 40 - HD2 LYS 39 far 4 84 5 - 4.0-8.1 HE3 LYS 40 - HD3 LYS 39 lone 4 84 25 19 3.0-8.9 ~3596=2, ~3606=2...(10) HE2 LYS 40 - HD2 LYS 39 lone 3 89 25 15 3.0-7.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 40 - HD3 LYS 44 far 0 73 0 - 5.1-10.7 HE3 LYS 40 - HD3 LYS 44 far 0 67 0 - 5.2-10.4 HE3 LYS 40 - HD2 LYS 44 far 0 65 0 - 5.8-10.8 HE2 LYS 40 - HD2 LYS 44 far 0 70 0 - 6.1-10.7 HE2 LYS 39 - HD3 LYS 44 far 0 87 0 - 7.2-13.9 HE3 LYS 39 - HD3 LYS 44 far 0 87 0 - 7.3-14.6 HE2 LYS 43 - HD2 LYS 44 far 0 85 0 - 8.0-12.3 HE3 LYS 39 - HD2 LYS 44 far 0 84 0 - 8.2-15.0 HE2 LYS 39 - HD2 LYS 44 far 0 85 0 - 8.4-14.2 HE3 LYS 43 - HD3 LYS 44 far 0 85 0 - 8.6-11.5 HE2 LYS 73 - HD2 LYS 39 far 0 100 0 - 8.7-17.1 HE2 LYS 43 - HD3 LYS 44 far 0 87 0 - 8.7-12.0 HE2 LYS 73 - HD3 LYS 39 far 0 100 0 - 8.8-17.4 HE3 LYS 43 - HD2 LYS 44 far 0 83 0 - 8.8-12.0 HE3 LYS 73 - HD2 LYS 39 far 0 100 0 - 9.3-16.2 HE3 LYS 73 - HD3 LYS 39 far 0 100 0 - 9.7-16.2 HB3 PHE 51 - HD2 LYS 44 far 0 68 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (2.98, 1.70, 29.31 ppm; 2.64 A): 4 out of 29 assignments used, quality = 1.00: HE2 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(24) HE3 LYS 39 + HD2 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) HE2 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.3-3.0 3.0=72, 3642/3.0=18...(23) * HE3 LYS 39 + HD3 LYS 39 OK 93 100 100 93 2.4-3.0 3.0=72, 3642/3.0=18...(23) HE3 LYS 40 - HD3 LYS 39 poor 19 77 25 - 3.0-8.9 HE2 LYS 43 - HD2 LYS 39 far 10 100 10 - 3.2-9.8 HE2 LYS 40 - HD3 LYS 39 lone 6 84 50 14 2.5-8.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 43 - HD3 LYS 39 far 5 100 5 - 2.9-9.7 HE3 LYS 43 - HD3 LYS 39 far 5 98 5 - 3.1-9.4 HE3 LYS 43 - HD2 LYS 39 far 5 98 5 - 3.5-9.5 HE3 LYS 40 - HD2 LYS 39 far 4 77 5 - 4.0-8.1 HE2 LYS 40 - HD2 LYS 39 lone 3 84 25 15 3.0-7.8 3606/3.0=4, 3596/3.0=4...(6) HE2 LYS 40 - HD3 LYS 44 far 0 67 0 - 5.1-10.7 HE3 LYS 40 - HD3 LYS 44 far 0 61 0 - 5.2-10.4 HE3 LYS 40 - HD2 LYS 44 far 0 59 0 - 5.8-10.8 HE2 LYS 40 - HD2 LYS 44 far 0 65 0 - 6.1-10.7 HE2 LYS 39 - HD3 LYS 44 far 0 87 0 - 7.2-13.9 HE3 LYS 39 - HD3 LYS 44 far 0 87 0 - 7.3-14.6 HE2 LYS 43 - HD2 LYS 44 far 0 85 0 - 8.0-12.3 HE3 LYS 39 - HD2 LYS 44 far 0 85 0 - 8.2-15.0 HE2 LYS 39 - HD2 LYS 44 far 0 84 0 - 8.4-14.2 HE3 LYS 43 - HD3 LYS 44 far 0 83 0 - 8.6-11.5 HE2 LYS 73 - HD2 LYS 39 far 0 100 0 - 8.7-17.1 HE2 LYS 43 - HD3 LYS 44 far 0 87 0 - 8.7-12.0 HE2 LYS 73 - HD3 LYS 39 far 0 100 0 - 8.8-17.4 HE3 LYS 43 - HD2 LYS 44 far 0 80 0 - 8.8-12.0 HE3 LYS 73 - HD2 LYS 39 far 0 99 0 - 9.3-16.2 HE3 LYS 73 - HD3 LYS 39 far 0 99 0 - 9.7-16.2 HB3 PHE 51 - HD2 LYS 44 far 0 62 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (1.93, 2.98, 41.78 ppm; 3.25 A): 9 out of 47 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 97 100 100 97 2.6-4.6 2.9/3642=28, 5.0=27...(52) HB3 LYS 39 + HE2 LYS 39 OK 78 81 100 97 2.4-4.6 2.9/3642=28, 5.0=27...(52) HB3 LYS 39 + HE3 LYS 39 OK 78 80 100 97 1.9-4.7 2.9/3642=28, 5.0=27...(54) HB2 LYS 39 + HE3 LYS 39 OK 73 100 75 98 3.0-5.3 2.9/3642=28, 5.0=27...(54) HB3 LYS 40 + HE2 LYS 40 OK 57 64 90 100 3.8-5.0 5.0=28, 2.7/3696=20...(48) HB3 LYS 40 + HE3 LYS 40 OK 33 55 60 100 3.7-5.3 5.0=28, 2.7/3696=20...(48) HB2 LYS 39 + HE2 LYS 40 OK 23 78 50 58 2.1-7.2 2.9/3606=7, 2.9/3596=7...(27) HB2 LYS 39 + HE3 LYS 40 OK 21 68 50 60 3.4-7.7 7473/7.5=6, 1.8/3586=6...(28) HB3 LYS 39 + HE2 LYS 40 OK 20 56 60 61 2.0-5.7 3691/3.9=10, 2.9/3606=7...(27) HB2 LEU 70 - HE2 LYS 73 poor 19 94 20 - 4.2-9.0 HB3 LYS 39 - HE3 LYS 40 poor 17 48 55 63 2.2-6.7 3691/3.9=10, 3701/3.0=6...(29) HB3 LYS 39 - HE2 LYS 43 poor 16 80 20 - 2.5-7.5 HB2 LEU 70 - HE3 LYS 73 far 14 95 15 - 3.6-8.4 HB3 LYS 39 - HE3 LYS 43 far 8 77 10 - 3.0-8.6 HB2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.5-8.9 HB2 LYS 39 - HE3 LYS 43 far 5 99 5 - 4.5-9.9 HB3 LYS 40 - HE3 LYS 39 far 4 89 5 - 4.7-10.0 HB3 LYS 40 - HE2 LYS 39 far 0 90 0 - 4.8-9.6 HB3 MET 42 - HE2 LYS 43 far 0 73 0 - 4.9-7.0 HB3 MET 42 - HE3 LYS 43 far 0 70 0 - 4.9-7.3 HB2 LEU 70 - HE2 LYS 43 far 0 95 0 - 4.9-8.5 HB2 LEU 70 - HE3 LYS 43 far 0 93 0 - 5.1-9.7 HB3 MET 42 - HE2 LYS 73 far 0 71 0 - 5.1-11.2 HB3 MET 42 - HE3 LYS 73 far 0 73 0 - 6.0-10.4 HB3 LYS 40 - HE3 LYS 43 far 0 86 0 - 6.2-9.2 HB3 MET 42 - HE3 LYS 39 far 0 73 0 - 6.6-10.9 HB3 LYS 40 - HE2 LYS 43 far 0 89 0 - 7.0-9.3 HB2 GLU 41 - HE2 LYS 40 far 0 50 0 - 7.1-9.1 HB3 GLU 41 - HE2 LYS 40 far 0 53 0 - 7.1-10.3 HB3 MET 42 - HE2 LYS 39 far 0 73 0 - 7.2-10.7 HB2 GLU 41 - HE3 LYS 40 far 0 43 0 - 7.4-10.0 HB2 LEU 70 - HE3 LYS 39 far 0 95 0 - 7.4-12.8 HB2 GLU 41 - HE3 LYS 39 far 0 73 0 - 7.6-11.2 HB2 GLU 41 - HE2 LYS 39 far 0 73 0 - 7.8-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 96 0 - 7.8-12.7 HB2 GLU 41 - HE2 LYS 43 far 0 73 0 - 7.9-10.4 HB3 MET 42 - HE2 LYS 40 far 0 50 0 - 8.1-10.9 HB2 GLU 41 - HE3 LYS 43 far 0 70 0 - 8.5-11.3 HB3 GLU 41 - HE3 LYS 40 far 0 45 0 - 8.6-10.9 HB3 GLU 41 - HE2 LYS 43 far 0 77 0 - 9.0-11.0 HB3 MET 42 - HE3 LYS 40 far 0 43 0 - 9.0-11.0 HB3 GLU 41 - HE2 LYS 39 far 0 77 0 - 9.0-11.8 HB3 GLU 41 - HE3 LYS 39 far 0 76 0 - 9.1-11.4 HB3 GLU 41 - HE3 LYS 43 far 0 74 0 - 9.4-11.2 HB3 LYS 39 - HE2 LYS 73 far 0 79 0 - 9.5-15.1 HB2 LEU 70 - HE2 LYS 40 far 0 71 0 - 9.7-14.0 HB3 LYS 65 - HE2 LYS 73 far 0 99 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3631 from cnoeabs.peaks (1.95, 2.98, 41.78 ppm; 3.39 A): 8 out of 47 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 98 100 100 98 2.4-4.6 5.0=31, 2.9/3642=30...(53) HB3 LYS 39 + HE3 LYS 39 OK 98 100 100 98 1.9-4.7 5.0=31, 2.9/3642=30...(54) HB2 LYS 39 + HE2 LYS 39 OK 79 81 100 98 2.6-4.6 5.0=31, 2.9/3642=30...(53) HB3 LYS 40 + HE2 LYS 40 OK 69 77 90 100 3.8-5.0 5.0=32, 3675/3.0=25...(48) HB3 LYS 40 + HE3 LYS 40 OK 64 67 95 100 3.7-5.3 5.0=32, 3675/3.0=25...(48) HB2 LYS 39 + HE3 LYS 39 OK 59 80 75 98 3.0-5.3 5.0=31, 2.9/3642=30...(54) HB3 LYS 39 + HE2 LYS 40 OK 35 78 65 69 2.0-5.7 3691/3.9=13, 3701/3.0=8...(29) HB3 LYS 39 + HE3 LYS 40 OK 26 68 55 71 2.2-6.7 3691/3.9=13, 3701/3.0=8...(30) HB3 LYS 39 - HE2 LYS 43 poor 20 100 20 - 2.5-7.5 HB2 LEU 70 - HE3 LYS 73 poor 20 98 20 - 3.6-8.4 HB2 LEU 70 - HE2 LYS 73 poor 19 97 20 - 4.2-9.0 HB2 LYS 39 - HE2 LYS 40 poor 17 56 50 61 2.1-7.2 2.9/3606=7, 2.9/3596=7...(26) HB2 LYS 39 - HE3 LYS 40 poor 15 48 50 64 3.4-7.7 1.8/3586=6, 3691/3.9=6...(28) HB3 LYS 40 - HE3 LYS 39 far 15 99 15 - 4.7-10.0 HB3 LYS 39 - HE3 LYS 43 far 10 99 10 - 3.0-8.6 HB3 MET 42 - HE2 LYS 43 far 5 100 5 - 4.9-7.0 HB3 LYS 40 - HE2 LYS 39 far 5 100 5 - 4.8-9.6 HB2 LYS 39 - HE2 LYS 43 far 4 80 5 - 3.5-8.9 HB2 LYS 39 - HE3 LYS 43 far 4 77 5 - 4.5-9.9 HB3 MET 42 - HE3 LYS 43 far 0 98 0 - 4.9-7.3 HB2 LEU 70 - HE2 LYS 43 far 0 98 0 - 4.9-8.5 HB2 LEU 70 - HE3 LYS 43 far 0 96 0 - 5.1-9.7 HB3 MET 42 - HE2 LYS 73 far 0 99 0 - 5.1-11.2 HB3 MET 42 - HE3 LYS 73 far 0 100 0 - 6.0-10.4 HB3 LYS 40 - HE3 LYS 43 far 0 98 0 - 6.2-9.2 HB3 MET 42 - HE3 LYS 39 far 0 100 0 - 6.6-10.9 HB3 LYS 40 - HE2 LYS 43 far 0 100 0 - 7.0-9.3 HB2 GLU 41 - HE2 LYS 40 far 0 78 0 - 7.1-9.1 HB3 GLU 41 - HE2 LYS 40 far 0 78 0 - 7.1-10.3 HB3 MET 42 - HE2 LYS 39 far 0 100 0 - 7.2-10.7 HB2 GLU 41 - HE3 LYS 40 far 0 68 0 - 7.4-10.0 HB2 LEU 70 - HE3 LYS 39 far 0 98 0 - 7.4-12.8 HB2 GLU 41 - HE3 LYS 39 far 0 100 0 - 7.6-11.2 HB2 GLU 41 - HE2 LYS 39 far 0 100 0 - 7.8-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 98 0 - 7.8-12.7 HB2 GLU 41 - HE2 LYS 43 far 0 100 0 - 7.9-10.4 HB3 MET 42 - HE2 LYS 40 far 0 78 0 - 8.1-10.9 HB2 GLU 41 - HE3 LYS 43 far 0 98 0 - 8.5-11.3 HB3 GLU 41 - HE3 LYS 40 far 0 68 0 - 8.6-10.9 HB3 GLU 41 - HE2 LYS 43 far 0 100 0 - 9.0-11.0 HB3 MET 42 - HE3 LYS 40 far 0 68 0 - 9.0-11.0 HB3 GLU 41 - HE2 LYS 39 far 0 100 0 - 9.0-11.8 HB3 GLU 41 - HE3 LYS 39 far 0 100 0 - 9.1-11.4 HB3 GLU 41 - HE3 LYS 43 far 0 99 0 - 9.4-11.2 HB3 LYS 39 - HE2 LYS 73 far 0 99 0 - 9.5-15.1 HB2 LEU 70 - HE2 LYS 40 far 0 74 0 - 9.7-14.0 HB3 LYS 65 - HE2 LYS 73 far 0 75 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (1.46, 2.98, 41.78 ppm; 2.86 A): 2 out of 22 assignments used, quality = 1.00: HG2 LYS 39 + HE3 LYS 39 OK 94 100 100 94 2.1-3.6 3.6=51, 3594/3.0=16...(47) * HG2 LYS 39 + HE2 LYS 39 OK 93 100 100 93 2.1-4.0 3.6=51, 3594/3.0=16...(46) HG2 LYS 39 - HE2 LYS 40 poor 13 78 40 40 3.0-7.7 3596=6, 1.8/3606=6...(18) HG2 LYS 39 - HE3 LYS 40 far 10 68 15 - 3.4-8.3 HB2 LEU 74 - HE3 LYS 73 far 0 93 0 - 4.6-10.6 HG2 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.0-9.6 HG2 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.1-9.3 HB2 LEU 74 - HE2 LYS 73 far 0 92 0 - 5.2-10.5 HG3 LYS 44 - HE2 LYS 40 far 0 41 0 - 5.7-8.6 HG3 LYS 44 - HE3 LYS 40 far 0 35 0 - 6.2-8.6 HG3 LYS 44 - HE3 LYS 39 far 0 61 0 - 6.7-13.6 HB3 LEU 38 - HE3 LYS 39 far 0 99 0 - 7.5-9.9 HB3 LEU 38 - HE2 LYS 39 far 0 99 0 - 7.5-10.0 HG3 LYS 44 - HE2 LYS 39 far 0 61 0 - 7.5-12.8 HB2 LEU 74 - HE3 LYS 43 far 0 91 0 - 7.9-12.7 HG3 LYS 44 - HE3 LYS 43 far 0 58 0 - 8.0-11.1 HG3 LYS 44 - HE2 LYS 43 far 0 61 0 - 8.2-10.8 HB3 LEU 38 - HE2 LYS 40 far 0 76 0 - 8.6-11.4 HB2 LEU 74 - HE2 LYS 43 far 0 94 0 - 8.6-12.5 HB3 LEU 38 - HE2 LYS 43 far 0 99 0 - 8.8-11.9 HB3 LEU 38 - HE3 LYS 40 far 0 66 0 - 8.8-12.3 HB3 LEU 38 - HE3 LYS 43 far 0 97 0 - 9.6-12.6 Violated in 1 structures by 0.01 A. Peak 3633 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 16 out of 70 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 82 98 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE3 LYS 39 OK 82 98 100 84 2.4-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 39 + HE2 LYS 39 OK 81 97 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(19) HD2 LYS 39 + HE3 LYS 39 OK 81 96 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 73 + HE3 LYS 73 OK 72 80 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(38) HD2 LYS 73 + HE2 LYS 73 OK 72 79 100 91 2.5-3.0 2.9=56, 3.0/5198=16...(40) HD3 LYS 73 + HE3 LYS 73 OK 69 76 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(38) * HG3 LYS 39 + HE2 LYS 39 OK 69 100 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(43) HD3 LYS 43 + HE2 LYS 43 OK 69 77 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD3 LYS 73 + HE2 LYS 73 OK 69 75 100 91 2.3-3.0 2.9=56, 3.0/5198=16...(40) HD3 LYS 43 + HE3 LYS 43 OK 65 74 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HG3 LYS 39 + HE3 LYS 39 OK 56 100 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD2 LYS 40 + HE2 LYS 40 OK 42 47 100 90 2.3-3.0 3.0=53, 1.8/3716=11...(35) HD3 LYS 40 + HE2 LYS 40 OK 40 44 100 90 2.3-3.0 3.0=53, 1.8/3706=11...(35) HD2 LYS 40 + HE3 LYS 40 OK 36 40 100 90 2.2-3.0 3.0=53, 1.8/3716=11...(35) HD3 LYS 40 + HE3 LYS 40 OK 34 37 100 90 2.6-3.0 3.0=53, 1.8/3706=11...(35) HD2 LYS 39 - HE2 LYS 40 poor 18 72 25 - 3.0-7.8 HD3 LYS 40 - HE2 LYS 39 poor 16 65 25 - 2.7-7.3 HD3 LYS 40 - HE3 LYS 39 poor 13 65 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 10 69 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 7 70 10 - 2.0-8.3 HD3 LYS 39 - HE2 LYS 43 far 5 98 5 - 2.9-9.7 HD2 LYS 39 - HE2 LYS 43 far 5 97 5 - 3.2-9.8 HD3 LYS 39 - HE3 LYS 43 far 5 96 5 - 3.1-9.4 HD2 LYS 39 - HE3 LYS 43 far 5 94 5 - 3.5-9.5 HD3 LYS 43 - HE3 LYS 39 far 4 76 5 - 3.9-10.6 HD3 LYS 39 - HE2 LYS 40 lone 4 74 40 12 2.5-8.8 3.0/3606=3, 3.0/3596=3...(6) HD3 LYS 39 - HE3 LYS 40 far 3 64 5 - 3.0-8.9 HG LEU 74 - HE3 LYS 73 lone 2 98 30 7 2.1-9.7 5236/3.8=5, ~5093=2 HG LEU 74 - HE2 LYS 73 lone 2 98 25 7 3.1-10.2 5236/3.8=5, ~5093=2 HG3 LYS 39 - HE3 LYS 40 far 0 68 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 75 0 - 3.9-10.9 HD2 LYS 39 - HE3 LYS 40 far 0 63 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 78 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 76 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 62 0 - 4.5-9.0 HD3 LYS 40 - HE2 LYS 43 far 0 65 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 66 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 76 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 66 0 - 5.2-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 77 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.2-9.2 HD2 LYS 40 - HE2 LYS 43 far 0 69 0 - 5.4-9.4 HD3 LYS 73 - HE3 LYS 43 far 0 74 0 - 5.6-11.9 HD2 LYS 44 - HE3 LYS 40 far 0 68 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 78 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 97 0 - 6.1-10.6 HD3 LYS 73 - HE2 LYS 43 far 0 77 0 - 6.4-11.0 HG LEU 74 - HE2 LYS 43 far 0 99 0 - 6.6-10.4 HD2 LYS 73 - HE3 LYS 43 far 0 77 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 80 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 53 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 99 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 99 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 98 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 98 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 100 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 45 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 100 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 97 0 - 8.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 0 96 0 - 8.7-17.1 HD3 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.7-12.0 HD3 LYS 39 - HE2 LYS 73 far 0 97 0 - 8.8-17.4 HD2 LYS 44 - HE3 LYS 43 far 0 98 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 96 0 - 9.3-16.2 HG12 ILE 71 - HE2 LYS 43 far 0 99 0 - 9.4-13.7 HD3 LYS 39 - HE3 LYS 73 far 0 98 0 - 9.7-16.2 HD3 LYS 73 - HE3 LYS 39 far 0 76 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (1.71, 2.98, 41.78 ppm; 2.40 A): 6 out of 41 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(19) HD3 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 39 + HE3 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE3 LYS 39 OK 83 100 100 84 2.4-3.0 3.0=54, 3.0/3642=15...(18) HG3 LYS 39 + HE2 LYS 39 OK 67 97 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(42) HG3 LYS 39 + HE3 LYS 39 OK 54 96 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD2 LYS 39 - HE2 LYS 40 poor 20 78 25 - 3.0-7.8 HD3 LYS 39 - HE2 LYS 43 far 5 100 5 - 2.9-9.7 HD2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.2-9.8 HD3 LYS 39 - HE3 LYS 43 far 5 99 5 - 3.1-9.4 HD2 LYS 39 - HE3 LYS 43 far 5 99 5 - 3.5-9.5 HD3 LYS 39 - HE2 LYS 40 lone 4 78 40 12 2.5-8.8 3.0/3606=3, 3.0/3596=3...(6) HD3 LYS 39 - HE3 LYS 40 far 3 68 5 - 3.0-8.9 HG LEU 74 - HE3 LYS 73 lone 2 100 30 7 2.1-9.7 5236/3.8=5, ~5093=2 HG LEU 74 - HE2 LYS 73 lone 2 99 25 7 3.1-10.2 5236/3.8=5, ~5093=2 HG3 LYS 39 - HE3 LYS 40 far 0 63 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 68 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 72 0 - 4.1-8.5 HG3 LYS 39 - HE2 LYS 43 far 0 97 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 77 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 67 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 94 0 - 5.2-9.2 HD2 LYS 44 - HE3 LYS 40 far 0 65 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 75 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 98 0 - 6.1-10.6 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 6.6-10.4 HD3 LYS 44 - HE2 LYS 39 far 0 100 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 99 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 86 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 85 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 98 0 - 8.2-15.0 HD2 LYS 44 - HE2 LYS 39 far 0 99 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 98 0 - 8.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 0 99 0 - 8.7-17.1 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.7-12.0 HD3 LYS 39 - HE2 LYS 73 far 0 99 0 - 8.8-17.4 HD2 LYS 44 - HE3 LYS 43 far 0 97 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.3-16.2 HG12 ILE 71 - HE2 LYS 43 far 0 87 0 - 9.4-13.7 HD3 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 6 out of 41 assignments used, quality = 1.00: HD2 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(19) * HD3 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE3 LYS 39 OK 84 100 100 84 2.4-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 39 + HE3 LYS 39 OK 83 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HG3 LYS 39 + HE2 LYS 39 OK 67 98 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(42) HG3 LYS 39 + HE3 LYS 39 OK 54 98 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD2 LYS 39 - HE2 LYS 40 poor 20 78 25 - 3.0-7.8 HD3 LYS 39 - HE2 LYS 43 far 5 100 5 - 2.9-9.7 HD2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.2-9.8 HD3 LYS 39 - HE3 LYS 43 far 5 99 5 - 3.1-9.4 HD2 LYS 39 - HE3 LYS 43 far 5 99 5 - 3.5-9.5 HD3 LYS 39 - HE2 LYS 40 lone 4 78 40 12 2.5-8.8 3.0/3606=3, 3.0/3596=3...(6) HD3 LYS 39 - HE3 LYS 40 far 3 68 5 - 3.0-8.9 HG LEU 74 - HE3 LYS 73 lone 2 100 30 7 2.1-9.7 5236/3.8=5, ~5093=2 HG LEU 74 - HE2 LYS 73 lone 2 99 25 7 3.1-10.2 5236/3.8=5, ~5093=2 HG3 LYS 39 - HE3 LYS 40 far 0 64 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 68 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 74 0 - 4.1-8.5 HG3 LYS 39 - HE2 LYS 43 far 0 98 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 78 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 68 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.2-9.2 HD2 LYS 44 - HE3 LYS 40 far 0 66 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 76 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 99 0 - 6.1-10.6 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 6.6-10.4 HD3 LYS 44 - HE2 LYS 39 far 0 100 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 100 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 89 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 88 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 99 0 - 8.2-15.0 HD2 LYS 44 - HE2 LYS 39 far 0 99 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 98 0 - 8.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 0 99 0 - 8.7-17.1 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.7-12.0 HD3 LYS 39 - HE2 LYS 73 far 0 99 0 - 8.8-17.4 HD2 LYS 44 - HE3 LYS 43 far 0 97 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.3-16.2 HG12 ILE 71 - HE2 LYS 43 far 0 89 0 - 9.4-13.7 HD3 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. 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): 4 out of 6 assignments used, quality = 1.00: * H LYS 39 + HE3 LYS 39 OK 100 100 100 100 4.3-6.6 3598/3.6=95, 3588/3.6=92...(18) H LYS 39 + HE2 LYS 39 OK 100 100 100 100 4.2-6.0 3598/3.6=95, 3588/3.6=92...(18) H LYS 39 + HE2 LYS 40 OK 57 68 95 87 4.4-7.8 218/7.5=55, 3598/3606=15...(14) H LYS 39 + HE3 LYS 40 OK 44 57 90 85 4.8-8.7 218/7.5=55, ~2771=12...(13) H LYS 39 - HE3 LYS 43 far 10 96 10 - 6.4-10.4 H LYS 39 - HE2 LYS 43 poor 8 100 30 26 5.6-9.6 3.0/3567=9, ~3567=7...(5) Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (1.93, 2.98, 41.78 ppm; 3.26 A): 6 out of 47 assignments used, quality = 1.00: HB2 LYS 39 + HE2 LYS 39 OK 97 100 100 98 2.6-4.6 2.9/3642=28, 5.0=27...(52) HB3 LYS 39 + HE3 LYS 39 OK 79 81 100 97 1.9-4.7 2.9/3642=28, 5.0=27...(54) HB3 LYS 39 + HE2 LYS 39 OK 78 80 100 97 2.4-4.6 2.9/3642=28, 5.0=27...(52) * HB2 LYS 39 + HE3 LYS 39 OK 73 100 75 98 3.0-5.3 2.9/3642=28, 5.0=27...(54) HB3 LYS 40 + HE2 LYS 40 OK 49 55 90 100 3.8-5.0 5.0=28, 3675/3.0=20...(48) HB3 LYS 40 + HE3 LYS 40 OK 30 46 65 100 3.7-5.3 5.0=28, 3675/3.0=20...(48) HB2 LYS 39 - HE2 LYS 40 poor 20 68 50 58 2.1-7.2 2.9/3606=7, 2.9/3596=7...(27) HB2 LEU 70 - HE2 LYS 73 poor 19 95 20 - 4.2-9.0 HB3 LYS 39 - HE2 LYS 40 poor 18 48 60 61 2.0-5.7 3691/3.9=10, 2.9/3606=7...(27) HB2 LYS 39 - HE3 LYS 40 poor 17 57 50 61 3.4-7.7 7473/7.5=6, 1.8/3586=6...(28) HB3 LYS 39 - HE2 LYS 43 poor 16 80 20 - 2.5-7.5 HB2 LEU 70 - HE3 LYS 73 far 14 93 15 - 3.6-8.4 HB3 LYS 39 - HE3 LYS 40 poor 14 39 55 63 2.2-6.7 3691/3.9=10, 3701/3.0=6...(29) HB3 LYS 40 - HE3 LYS 39 far 9 90 10 - 4.7-10.0 HB3 LYS 39 - HE3 LYS 43 far 7 73 10 - 3.0-8.6 HB2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.5-8.9 HB2 LYS 39 - HE3 LYS 43 far 5 96 5 - 4.5-9.9 HB3 LYS 40 - HE2 LYS 39 far 0 89 0 - 4.8-9.6 HB3 MET 42 - HE2 LYS 43 far 0 73 0 - 4.9-7.0 HB3 MET 42 - HE3 LYS 43 far 0 66 0 - 4.9-7.3 HB2 LEU 70 - HE2 LYS 43 far 0 95 0 - 4.9-8.5 HB2 LEU 70 - HE3 LYS 43 far 0 89 0 - 5.1-9.7 HB3 MET 42 - HE2 LYS 73 far 0 73 0 - 5.1-11.2 HB3 MET 42 - HE3 LYS 73 far 0 70 0 - 6.0-10.4 HB3 LYS 40 - HE3 LYS 43 far 0 82 0 - 6.2-9.2 HB3 MET 42 - HE3 LYS 39 far 0 73 0 - 6.6-10.9 HB3 LYS 40 - HE2 LYS 43 far 0 89 0 - 7.0-9.3 HB2 GLU 41 - HE2 LYS 40 far 0 43 0 - 7.1-9.1 HB3 GLU 41 - HE2 LYS 40 far 0 45 0 - 7.1-10.3 HB3 MET 42 - HE2 LYS 39 far 0 73 0 - 7.2-10.7 HB2 GLU 41 - HE3 LYS 40 far 0 35 0 - 7.4-10.0 HB2 LEU 70 - HE3 LYS 39 far 0 96 0 - 7.4-12.8 HB2 GLU 41 - HE3 LYS 39 far 0 73 0 - 7.6-11.2 HB2 GLU 41 - HE2 LYS 39 far 0 73 0 - 7.8-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 95 0 - 7.8-12.7 HB2 GLU 41 - HE2 LYS 43 far 0 73 0 - 7.9-10.4 HB3 MET 42 - HE2 LYS 40 far 0 43 0 - 8.1-10.9 HB2 GLU 41 - HE3 LYS 43 far 0 66 0 - 8.5-11.3 HB3 GLU 41 - HE3 LYS 40 far 0 37 0 - 8.6-10.9 HB3 GLU 41 - HE2 LYS 43 far 0 77 0 - 9.0-11.0 HB3 MET 42 - HE3 LYS 40 far 0 35 0 - 9.0-11.0 HB3 GLU 41 - HE2 LYS 39 far 0 76 0 - 9.0-11.8 HB3 GLU 41 - HE3 LYS 39 far 0 77 0 - 9.1-11.4 HB3 GLU 41 - HE3 LYS 43 far 0 70 0 - 9.4-11.2 HB3 LYS 39 - HE2 LYS 73 far 0 80 0 - 9.5-15.1 HB2 LEU 70 - HE2 LYS 40 far 0 61 0 - 9.7-14.0 HB3 LYS 65 - HE2 LYS 73 far 0 100 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3641 from cnoeabs.peaks (1.95, 2.98, 41.78 ppm; 3.28 A): 8 out of 47 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 98 100 100 98 1.9-4.7 2.9/3642=28, 5.0=28...(54) HB3 LYS 39 + HE2 LYS 39 OK 97 100 100 98 2.4-4.6 2.9/3642=28, 5.0=28...(53) HB2 LYS 39 + HE2 LYS 39 OK 78 80 100 97 2.6-4.6 2.9/3642=28, 5.0=28...(53) HB3 LYS 40 + HE2 LYS 40 OK 60 67 90 100 3.8-5.0 5.0=29, 3675/3.0=24...(48) HB2 LYS 39 + HE3 LYS 39 OK 59 81 75 97 3.0-5.3 2.9/3642=28, 5.0=28...(54) HB3 LYS 40 + HE3 LYS 40 OK 42 56 75 100 3.7-5.3 5.0=29, 3675/3.0=24...(48) HB3 LYS 39 + HE2 LYS 40 OK 27 68 60 66 2.0-5.7 3691/3.9=12, 3701/3.0=8...(28) HB3 LYS 39 + HE3 LYS 40 OK 21 57 55 68 2.2-6.7 3691/3.9=12, 3701/3.0=8...(29) HB3 LYS 39 - HE2 LYS 43 poor 20 100 20 - 2.5-7.5 HB2 LYS 39 - HE3 LYS 40 poor 20 39 50 - 3.4-7.7 HB2 LEU 70 - HE2 LYS 73 poor 20 98 20 - 4.2-9.0 HB2 LEU 70 - HE3 LYS 73 poor 19 96 20 - 3.6-8.4 HB2 LYS 39 - HE2 LYS 40 poor 14 48 50 58 2.1-7.2 2.9/3606=7, 2.9/3596=7...(26) HB3 LYS 40 - HE3 LYS 39 far 10 100 10 - 4.7-10.0 HB3 LYS 39 - HE3 LYS 43 far 10 96 10 - 3.0-8.6 HB2 LYS 39 - HE2 LYS 43 far 4 80 5 - 3.5-8.9 HB2 LYS 39 - HE3 LYS 43 far 4 73 5 - 4.5-9.9 HB3 LYS 40 - HE2 LYS 39 far 0 99 0 - 4.8-9.6 HB3 MET 42 - HE2 LYS 43 far 0 100 0 - 4.9-7.0 HB3 MET 42 - HE3 LYS 43 far 0 95 0 - 4.9-7.3 HB2 LEU 70 - HE2 LYS 43 far 0 98 0 - 4.9-8.5 HB2 LEU 70 - HE3 LYS 43 far 0 92 0 - 5.1-9.7 HB3 MET 42 - HE2 LYS 73 far 0 100 0 - 5.1-11.2 HB3 MET 42 - HE3 LYS 73 far 0 98 0 - 6.0-10.4 HB3 LYS 40 - HE3 LYS 43 far 0 95 0 - 6.2-9.2 HB3 MET 42 - HE3 LYS 39 far 0 100 0 - 6.6-10.9 HB3 LYS 40 - HE2 LYS 43 far 0 100 0 - 7.0-9.3 HB2 GLU 41 - HE2 LYS 40 far 0 68 0 - 7.1-9.1 HB3 GLU 41 - HE2 LYS 40 far 0 68 0 - 7.1-10.3 HB3 MET 42 - HE2 LYS 39 far 0 100 0 - 7.2-10.7 HB2 GLU 41 - HE3 LYS 40 far 0 57 0 - 7.4-10.0 HB2 LEU 70 - HE3 LYS 39 far 0 98 0 - 7.4-12.8 HB2 GLU 41 - HE3 LYS 39 far 0 100 0 - 7.6-11.2 HB2 GLU 41 - HE2 LYS 39 far 0 100 0 - 7.8-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 98 0 - 7.8-12.7 HB2 GLU 41 - HE2 LYS 43 far 0 100 0 - 7.9-10.4 HB3 MET 42 - HE2 LYS 40 far 0 68 0 - 8.1-10.9 HB2 GLU 41 - HE3 LYS 43 far 0 95 0 - 8.5-11.3 HB3 GLU 41 - HE3 LYS 40 far 0 57 0 - 8.6-10.9 HB3 GLU 41 - HE2 LYS 43 far 0 100 0 - 9.0-11.0 HB3 MET 42 - HE3 LYS 40 far 0 57 0 - 9.0-11.0 HB3 GLU 41 - HE2 LYS 39 far 0 100 0 - 9.0-11.8 HB3 GLU 41 - HE3 LYS 39 far 0 100 0 - 9.1-11.4 HB3 GLU 41 - HE3 LYS 43 far 0 96 0 - 9.4-11.2 HB3 LYS 39 - HE2 LYS 73 far 0 100 0 - 9.5-15.1 HB2 LEU 70 - HE2 LYS 40 far 0 64 0 - 9.7-14.0 HB3 LYS 65 - HE2 LYS 73 far 0 77 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3642 from cnoeabs.peaks (1.46, 2.98, 41.78 ppm; 2.85 A): 2 out of 22 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 94 100 100 94 2.1-3.6 3.6=51, 3594/3.0=16...(46) HG2 LYS 39 + HE2 LYS 39 OK 93 100 100 93 2.1-4.0 3.6=51, 3594/3.0=16...(46) HG2 LYS 39 - HE2 LYS 40 poor 11 68 40 40 3.0-7.7 3596=6, 1.8/3606=6...(18) HG2 LYS 39 - HE3 LYS 40 far 9 57 15 - 3.4-8.3 HB2 LEU 74 - HE3 LYS 73 far 0 91 0 - 4.6-10.6 HG2 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.0-9.6 HG2 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.1-9.3 HB2 LEU 74 - HE2 LYS 73 far 0 94 0 - 5.2-10.5 HG3 LYS 44 - HE2 LYS 40 far 0 35 0 - 5.7-8.6 HG3 LYS 44 - HE3 LYS 40 far 0 28 0 - 6.2-8.6 HG3 LYS 44 - HE3 LYS 39 far 0 61 0 - 6.7-13.6 HB3 LEU 38 - HE3 LYS 39 far 0 99 0 - 7.5-9.9 HB3 LEU 38 - HE2 LYS 39 far 0 99 0 - 7.5-10.0 HG3 LYS 44 - HE2 LYS 39 far 0 61 0 - 7.5-12.8 HB2 LEU 74 - HE3 LYS 43 far 0 87 0 - 7.9-12.7 HG3 LYS 44 - HE3 LYS 43 far 0 55 0 - 8.0-11.1 HG3 LYS 44 - HE2 LYS 43 far 0 61 0 - 8.2-10.8 HB3 LEU 38 - HE2 LYS 40 far 0 66 0 - 8.6-11.4 HB2 LEU 74 - HE2 LYS 43 far 0 94 0 - 8.6-12.5 HB3 LEU 38 - HE2 LYS 43 far 0 99 0 - 8.8-11.9 HB3 LEU 38 - HE3 LYS 40 far 0 56 0 - 8.8-12.3 HB3 LEU 38 - HE3 LYS 43 far 0 94 0 - 9.6-12.6 Violated in 1 structures by 0.01 A. Peak 3643 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 16 out of 70 assignments used, quality = 1.00: HD3 LYS 39 + HE3 LYS 39 OK 82 98 100 84 2.4-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE2 LYS 39 OK 82 98 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 39 + HE3 LYS 39 OK 81 97 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 39 + HE2 LYS 39 OK 81 96 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 73 + HE2 LYS 73 OK 73 80 100 91 2.5-3.0 2.9=56, 3.0/5198=16...(40) HD3 LYS 73 + HE2 LYS 73 OK 70 77 100 91 2.3-3.0 2.9=56, 3.0/5198=16...(40) HD2 LYS 73 + HE3 LYS 73 OK 70 77 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(38) HG3 LYS 39 + HE2 LYS 39 OK 69 100 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(43) HD3 LYS 43 + HE2 LYS 43 OK 69 77 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(43) HD3 LYS 73 + HE3 LYS 73 OK 67 74 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(38) HD3 LYS 43 + HE3 LYS 43 OK 61 70 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) * HG3 LYS 39 + HE3 LYS 39 OK 56 100 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD2 LYS 40 + HE2 LYS 40 OK 36 40 100 90 2.3-3.0 3.0=53, 1.8/3716=10...(35) HD3 LYS 40 + HE2 LYS 40 OK 33 37 100 90 2.3-3.0 3.0=53, 1.8/3706=10...(35) HD2 LYS 40 + HE3 LYS 40 OK 29 33 100 90 2.2-3.0 3.0=53, 1.8/3716=10...(35) HD3 LYS 40 + HE3 LYS 40 OK 27 31 100 90 2.6-3.0 3.0=53, 1.8/3706=10...(35) HD3 LYS 40 - HE2 LYS 39 poor 16 65 25 - 2.7-7.3 HD2 LYS 39 - HE2 LYS 40 poor 16 63 25 - 3.0-7.8 HD3 LYS 40 - HE3 LYS 39 poor 13 65 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 10 70 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 7 69 10 - 2.0-8.3 HD3 LYS 39 - HE2 LYS 43 far 5 98 5 - 2.9-9.7 HD2 LYS 39 - HE2 LYS 43 far 5 97 5 - 3.2-9.8 HD3 LYS 39 - HE3 LYS 43 far 5 92 5 - 3.1-9.4 HD2 LYS 39 - HE3 LYS 43 far 5 90 5 - 3.5-9.5 HD3 LYS 43 - HE3 LYS 39 far 4 77 5 - 3.9-10.6 HD3 LYS 39 - HE2 LYS 40 lone 3 64 40 11 2.5-8.8 3.0/3606=3, 3.0/3596=3...(5) HD3 LYS 39 - HE3 LYS 40 far 3 54 5 - 3.0-8.9 HG LEU 74 - HE3 LYS 73 lone 2 97 30 7 2.1-9.7 5236/3.8=5, ~5093=2 HG LEU 74 - HE2 LYS 73 lone 2 99 25 7 3.1-10.2 5236/3.8=5, ~5093=2 HG3 LYS 39 - HE3 LYS 40 far 0 57 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 77 0 - 3.9-10.9 HD2 LYS 39 - HE3 LYS 40 far 0 52 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 68 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 74 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 58 0 - 4.5-9.0 HD3 LYS 40 - HE2 LYS 43 far 0 65 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 62 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 66 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 56 0 - 5.2-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 76 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.2-9.2 HD2 LYS 40 - HE2 LYS 43 far 0 69 0 - 5.4-9.4 HD3 LYS 73 - HE3 LYS 43 far 0 70 0 - 5.6-11.9 HD2 LYS 44 - HE3 LYS 40 far 0 57 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 68 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 93 0 - 6.1-10.6 HD3 LYS 73 - HE2 LYS 43 far 0 77 0 - 6.4-11.0 HG LEU 74 - HE2 LYS 43 far 0 99 0 - 6.6-10.4 HD2 LYS 73 - HE3 LYS 43 far 0 73 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 80 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 45 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 99 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 99 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 97 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 99 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 100 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 37 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 100 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 94 0 - 8.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 0 97 0 - 8.7-17.1 HD3 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.7-12.0 HD3 LYS 39 - HE2 LYS 73 far 0 98 0 - 8.8-17.4 HD2 LYS 44 - HE3 LYS 43 far 0 95 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 94 0 - 9.3-16.2 HG12 ILE 71 - HE2 LYS 43 far 0 99 0 - 9.4-13.7 HD3 LYS 39 - HE3 LYS 73 far 0 96 0 - 9.7-16.2 HD3 LYS 73 - HE3 LYS 39 far 0 77 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3644 from cnoeabs.peaks (1.71, 2.98, 41.78 ppm; 2.40 A): 6 out of 41 assignments used, quality = 1.00: HD2 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) * HD2 LYS 39 + HE3 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE3 LYS 39 OK 84 100 100 84 2.4-3.0 3.0=54, 3.0/3642=15...(18) HG3 LYS 39 + HE2 LYS 39 OK 66 96 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(43) HG3 LYS 39 + HE3 LYS 39 OK 54 97 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD2 LYS 39 - HE2 LYS 40 poor 17 68 25 - 3.0-7.8 HD3 LYS 39 - HE2 LYS 43 far 5 100 5 - 2.9-9.7 HD2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.2-9.8 HD2 LYS 39 - HE3 LYS 43 far 5 96 5 - 3.5-9.5 HD3 LYS 39 - HE3 LYS 43 far 5 96 5 - 3.1-9.4 HD3 LYS 39 - HE2 LYS 40 lone 3 68 40 12 2.5-8.8 3.0/3606=3, 3.0/3596=3...(5) HD3 LYS 39 - HE3 LYS 40 far 3 57 5 - 3.0-8.9 HG LEU 74 - HE3 LYS 73 lone 2 98 30 7 2.1-9.7 5236/3.8=5, ~5093=2 HG LEU 74 - HE2 LYS 73 lone 2 100 25 7 3.1-10.2 5236/3.8=5, ~5093=2 HG3 LYS 39 - HE3 LYS 40 far 0 52 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 57 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 63 0 - 4.1-8.5 HG3 LYS 39 - HE2 LYS 43 far 0 97 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 67 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 56 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 90 0 - 5.2-9.2 HD2 LYS 44 - HE3 LYS 40 far 0 55 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 65 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 95 0 - 6.1-10.6 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 6.6-10.4 HD3 LYS 44 - HE2 LYS 39 far 0 99 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 100 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 83 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 87 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 99 0 - 8.2-15.0 HD2 LYS 44 - HE2 LYS 39 far 0 98 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 95 0 - 8.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 0 100 0 - 8.7-17.1 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.7-12.0 HD3 LYS 39 - HE2 LYS 73 far 0 100 0 - 8.8-17.4 HD2 LYS 44 - HE3 LYS 43 far 0 93 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 99 0 - 9.3-16.2 HG12 ILE 71 - HE2 LYS 43 far 0 87 0 - 9.4-13.7 HD3 LYS 39 - HE3 LYS 73 far 0 99 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 6 out of 41 assignments used, quality = 1.00: HD2 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HD3 LYS 39 + HE2 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) * HD3 LYS 39 + HE3 LYS 39 OK 84 100 100 84 2.4-3.0 3.0=54, 3.0/3642=15...(18) HD2 LYS 39 + HE3 LYS 39 OK 84 100 100 84 2.3-3.0 3.0=54, 3.0/3642=15...(18) HG3 LYS 39 + HE2 LYS 39 OK 67 98 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(43) HG3 LYS 39 + HE3 LYS 39 OK 55 98 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD2 LYS 39 - HE2 LYS 40 poor 17 68 25 - 3.0-7.8 HD3 LYS 39 - HE2 LYS 43 far 5 100 5 - 2.9-9.7 HD2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.2-9.8 HD3 LYS 39 - HE3 LYS 43 far 5 96 5 - 3.1-9.4 HD2 LYS 39 - HE3 LYS 43 far 5 96 5 - 3.5-9.5 HD3 LYS 39 - HE2 LYS 40 lone 3 68 40 12 2.5-8.8 3.0/3606=3, 3.0/3596=3...(5) HD3 LYS 39 - HE3 LYS 40 far 3 57 5 - 3.0-8.9 HG LEU 74 - HE3 LYS 73 lone 2 99 30 7 2.1-9.7 5236/3.8=5, ~5093=2 HG LEU 74 - HE2 LYS 73 lone 2 100 25 7 3.1-10.2 5236/3.8=5, ~5093=2 HG3 LYS 39 - HE3 LYS 40 far 0 54 0 - 3.9-9.0 HD2 LYS 39 - HE3 LYS 40 far 0 57 0 - 4.0-8.1 HG3 LYS 39 - HE2 LYS 40 far 0 64 0 - 4.1-8.5 HG3 LYS 39 - HE2 LYS 43 far 0 98 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 68 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 57 0 - 5.2-10.4 HG3 LYS 39 - HE3 LYS 43 far 0 92 0 - 5.2-9.2 HD2 LYS 44 - HE3 LYS 40 far 0 56 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 66 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 96 0 - 6.1-10.6 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 6.6-10.4 HD3 LYS 44 - HE2 LYS 39 far 0 100 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 100 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 86 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 89 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 99 0 - 8.2-15.0 HD2 LYS 44 - HE2 LYS 39 far 0 99 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 95 0 - 8.6-11.5 HD2 LYS 39 - HE2 LYS 73 far 0 100 0 - 8.7-17.1 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.7-12.0 HD3 LYS 39 - HE2 LYS 73 far 0 100 0 - 8.8-17.4 HD2 LYS 44 - HE3 LYS 43 far 0 94 0 - 8.8-12.0 HD2 LYS 39 - HE3 LYS 73 far 0 99 0 - 9.3-16.2 HG12 ILE 71 - HE2 LYS 43 far 0 89 0 - 9.4-13.7 HD3 LYS 39 - HE3 LYS 73 far 0 99 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 3646 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 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): 8 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 LYS 40 + HA LYS 40 OK 100 100 100 100 3.0-3.0 3.0=86, 1251/3.0=49...(20) HB3 GLU 21 - HA GLU 119 far 0 63 0 - 8.6-12.1 HB3 GLU 103 - HA GLU 119 far 0 95 0 - 9.3-12.3 Violated in 20 structures by 0.16 A. Peak 3651 from cnoeabs.peaks (1.95, 4.02, 59.59 ppm; 2.81 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 40 + HA LYS 40 OK 99 100 100 99 2.3-2.5 3.0=81, 2.7/3653=39...(17) HB3 LYS 39 + HA LYS 40 OK 70 100 95 74 3.8-4.4 7474/3.0=25, ~7473=12...(17) HB2 LYS 39 - HA LYS 40 far 4 90 5 - 4.3-5.6 HB2 LYS 123 - HA GLU 119 far 0 82 0 - 4.5-7.2 HB2 GLU 41 - HA LYS 40 far 0 99 0 - 5.4-6.5 HB3 MET 42 - HA LYS 40 far 0 99 0 - 5.4-6.3 HB3 GLU 41 - HA LYS 40 far 0 99 0 - 5.5-6.5 HB3 LYS 115 - HA GLU 119 far 0 82 0 - 6.9-8.9 HB2 LEU 70 - HA LYS 40 far 0 100 0 - 7.3-9.1 HB2 LYS 115 - HA GLU 119 far 0 63 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 3652 from cnoeabs.peaks (1.38, 4.02, 59.59 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.6-3.8 1.8/3653=71, 2.7/3650=66...(30) HG3 LYS 43 + HA LYS 40 OK 82 94 100 88 3.4-4.1 3679=39, 3.0/8065=32...(10) Violated in 6 structures by 0.02 A. Peak 3653 from cnoeabs.peaks (1.62, 4.02, 59.59 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 40 + HA LYS 40 OK 100 100 100 100 2.4-3.9 3689=75, 2.7/3650=67...(31) HB ILE 116 - HA GLU 119 far 0 85 0 - 7.9-8.5 Violated in 16 structures by 0.13 A. Peak 3654 from cnoeabs.peaks (1.68, 4.02, 59.59 ppm; 3.30 A): 2 out of 8 assignments used, quality = 1.00: HD3 LYS 40 + HA LYS 40 OK 100 100 100 100 1.7-4.2 2.9/3653=51, 3.6/3650=48...(42) * HD2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.0-4.1 2.9/3653=51, 3.6/3650=48...(41) HG3 LYS 123 - HA GLU 119 poor 19 63 30 - 4.4-7.5 HG3 LYS 39 - HA LYS 40 far 10 70 15 - 3.8-6.5 HD2 LYS 44 - HA LYS 40 far 3 61 5 - 4.3-6.9 HD2 LYS 43 - HA LYS 40 far 0 100 0 - 5.1-5.6 HD3 LYS 43 - HA LYS 40 far 0 100 0 - 5.7-6.2 HG12 ILE 71 - HA LYS 40 far 0 87 0 - 9.3-12.6 Violated in 5 structures by 0.04 A. Peak 3655 from cnoeabs.peaks (1.68, 4.02, 59.59 ppm; 3.30 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 40 + HA LYS 40 OK 100 100 100 100 1.7-4.2 2.9/3653=51, 3.6/3650=48...(42) HD2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.0-4.1 2.9/3653=51, 3.6/3650=48...(41) HG3 LYS 123 - HA GLU 119 poor 18 59 30 - 4.4-7.5 HG3 LYS 39 - HA LYS 40 far 10 65 15 - 3.8-6.5 HD2 LYS 43 - HA LYS 40 far 0 100 0 - 5.1-5.6 HD3 LYS 43 - HA LYS 40 far 0 100 0 - 5.7-6.2 HG12 ILE 71 - HA LYS 40 far 0 84 0 - 9.3-12.6 Violated in 5 structures by 0.04 A. Peak 3657 from cnoeabs.peaks (2.97, 4.02, 59.59 ppm; 6.20 A): 7 out of 9 assignments used, quality = 1.00: * HE3 LYS 40 + HA LYS 40 OK 100 100 100 100 4.2-5.7 3.9/3653=97, 5.0/3650=92...(35) HE2 LYS 40 + HA LYS 40 OK 100 100 100 100 4.0-5.7 3.9/3653=97, 5.0/3650=92...(35) HE3 LYS 43 + HA LYS 40 OK 89 94 100 94 4.3-7.1 7.0/2055=56, 4.7/8065=49...(6) HD3 ARG 118 + HA GLU 119 OK 82 93 95 93 5.0-7.9 ~751=64, ~752=55...(4) HE2 LYS 43 + HA LYS 40 OK 76 81 100 94 4.9-7.1 7.0/2055=56, 4.7/8065=49...(6) HE2 LYS 39 + HA LYS 40 OK 60 84 80 89 4.0-8.4 5.0/3651=38, ~7477=37...(11) HE3 LYS 39 + HA LYS 40 OK 45 77 65 89 3.8-8.6 5.0/3651=38, ~7477=37...(12) HE3 LYS 73 - HA LYS 40 far 0 90 0 - 9.5-14.7 HE2 LYS 73 - HA LYS 40 far 0 73 0 - 9.6-15.9 Violated in 0 structures by 0.00 A. Peak 3658 from cnoeabs.peaks (7.78, 1.99, 32.40 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-2.8 1251=100, 3668/1.8=73...(18) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HB3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 - HB2 LYS 40 far 0 100 0 - 4.5-5.8 HB2 LYS 39 - HB2 LYS 40 far 0 90 0 - 4.6-6.6 HB2 GLU 41 - HB2 LYS 40 far 0 99 0 - 4.8-5.7 HB3 GLU 41 - HB2 LYS 40 far 0 99 0 - 4.8-6.2 HB3 MET 42 - HB2 LYS 40 far 0 99 0 - 7.4-8.5 HB2 LEU 70 - HB2 LYS 40 far 0 100 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (1.38, 1.99, 32.40 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.2-2.9 2.7=100 HG3 LYS 43 - HB2 LYS 40 far 0 94 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 2.7=100 Violated in 0 structures by 0.00 A. Peak 3664 from cnoeabs.peaks (1.68, 1.99, 32.40 ppm; 3.12 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.9-4.0 3.6=66, 1.8/3710=38...(58) HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.1-4.0 3.6=66, 1.8/3700=38...(58) HG3 LYS 39 - HB2 LYS 40 far 10 70 15 - 3.7-7.5 HD2 LYS 44 - HB2 LYS 40 poor 6 61 40 23 2.1-6.7 3674/1.8=4, 2.9/6104=3...(10) HD2 LYS 43 - HB2 LYS 40 far 0 100 0 - 8.1-8.5 HD3 LYS 43 - HB2 LYS 40 far 0 100 0 - 8.7-9.1 Violated in 15 structures by 0.10 A. Peak 3665 from cnoeabs.peaks (1.68, 1.99, 32.40 ppm; 3.12 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.1-4.0 3.6=66, 1.8/3700=38...(58) HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.9-4.0 3.6=66, 1.8/3710=38...(58) HG3 LYS 39 - HB2 LYS 40 far 10 65 15 - 3.7-7.5 HD2 LYS 43 - HB2 LYS 40 far 0 100 0 - 8.1-8.5 HD3 LYS 43 - HB2 LYS 40 far 0 100 0 - 8.7-9.1 Violated in 15 structures by 0.10 A. Peak 3666 from cnoeabs.peaks (2.97, 1.99, 32.40 ppm; 4.46 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 4.0-5.2 5.0=72, 3733/2.7=48...(53) HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.9-5.3 5.0=72, 3733/2.7=48...(53) HE3 LYS 39 - HB2 LYS 40 poor 17 84 20 - 4.5-9.4 HE2 LYS 39 - HB2 LYS 40 far 13 90 15 - 4.8-8.9 HE3 LYS 43 - HB2 LYS 40 far 0 97 0 - 6.9-10.0 HE2 LYS 43 - HB2 LYS 40 far 0 87 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (2.97, 1.99, 32.40 ppm; 4.46 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.9-5.3 5.0=72, 3733/2.7=48...(53) HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 4.0-5.2 5.0=72, 3733/2.7=48...(53) HE3 LYS 39 - HB2 LYS 40 poor 15 77 20 - 4.5-9.4 HE2 LYS 39 - HB2 LYS 40 far 13 84 15 - 4.8-8.9 HE3 LYS 43 - HB2 LYS 40 far 0 94 0 - 6.9-10.0 HE2 LYS 43 - HB2 LYS 40 far 0 81 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (7.78, 1.95, 32.40 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.6-3.6 1251/1.8=86, 1254/2.7=54...(15) H LYS 96 - HB2 LYS 65 far 0 63 0 - 8.3-11.3 H LYS 96 - HB3 LYS 65 far 0 59 0 - 8.9-11.0 Violated in 20 structures by 0.34 A. Peak 3669 from cnoeabs.peaks (4.02, 1.95, 32.40 ppm; 3.02 A): 5 out of 9 assignments used, quality = 1.00: * HA LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.3-2.5 3.0=100 HA LYS 123 + HB2 LYS 123 OK 73 73 100 100 2.4-2.7 2.9=100 HA PHE 120 + HB2 LYS 123 OK 57 74 95 81 2.6-4.5 8299/1.8=35, 8297=31...(9) HA GLU 66 + HB2 LYS 65 OK 42 67 75 83 4.1-5.5 7069=30, 2.9/400=21...(12) HA GLU 66 + HB3 LYS 65 OK 33 62 65 80 4.0-5.3 7069/1.8=26, 2.9/400=21...(11) HA GLU 119 - HB2 LYS 123 far 4 71 5 - 4.5-7.2 HB2 SER 126 - HB2 LYS 123 far 0 73 0 - 4.5-7.9 HB3 SER 126 - HB2 LYS 123 far 0 66 0 - 5.0-7.7 HA GLU 119 - HB3 LYS 115 far 0 51 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 3670 from cnoeabs.peaks (1.99, 1.95, 32.40 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 96 - HB3 LYS 65 far 0 32 0 - 5.4-9.0 HB VAL 22 - HB VAL 29 far 0 83 0 - 6.2-8.7 HB3 GLU 21 - HB3 LYS 115 far 0 31 0 - 6.4-9.2 HB3 LYS 96 - HB2 LYS 65 far 0 35 0 - 6.4-9.3 HB3 GLU 103 - HB2 LYS 123 far 0 73 0 - 6.9-9.7 HB2 LYS 17 - HB3 LYS 115 far 0 53 0 - 7.8-11.6 HB3 GLU 21 - HB VAL 29 far 0 55 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 3671 from cnoeabs.peaks (1.95, 1.95, 32.40 ppm; diagonal): 6 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 7 assignments used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.3-3.0 2.7=100 HB3 LEU 68 - HB2 LYS 65 far 3 68 5 - 4.5-7.7 HB3 LEU 114 - HB3 LYS 115 far 0 28 0 - 5.1-7.3 HB3 LEU 68 - HB3 LYS 65 far 0 64 0 - 5.1-6.8 HG3 LYS 43 - HB3 LYS 40 far 0 94 0 - 5.7-6.4 HG3 LYS 16 - HB VAL 29 far 0 55 0 - 9.2-12.7 HG LEU 14 - HB3 LYS 115 far 0 54 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 3673 from cnoeabs.peaks (1.62, 1.95, 32.40 ppm; 3.12 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.6-3.0 2.7=100 HB3 LEU 64 - HB3 LYS 65 far 8 56 15 - 4.4-7.2 HB3 LEU 64 - HB2 LYS 65 far 0 60 0 - 4.8-6.5 HD2 LYS 77 - HB2 LYS 123 far 0 72 0 - 5.4-9.2 HB ILE 116 - HB3 LYS 115 far 0 45 0 - 6.0-6.7 HD3 LYS 77 - HB2 LYS 123 far 0 73 0 - 6.1-8.8 HG LEU 63 - HB2 LYS 65 far 0 69 0 - 7.0-9.2 HB3 LEU 127 - HB2 LYS 123 far 0 68 0 - 7.2-11.1 HG LEU 63 - HB3 LYS 65 far 0 64 0 - 7.4-9.4 HG2 LYS 16 - HB VAL 29 far 0 82 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 3674 from cnoeabs.peaks (1.68, 1.95, 32.40 ppm; 2.92 A): 3 out of 20 assignments used, quality = 1.00: * HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.0-4.0 3.6=54, 3700/1.8=34...(53) HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.7 3.6=54, 3710/1.8=34...(53) HG3 LYS 123 + HB2 LYS 123 OK 44 44 100 100 2.7-2.7 2.9=98, 2.9/7129=38...(36) HD2 LYS 44 - HB3 LYS 40 poor 14 61 75 31 2.1-6.0 5.4/8045=16, 1.8/3621=3...(10) HG3 LYS 39 - HB3 LYS 40 far 0 70 0 - 4.5-8.1 HD2 LYS 20 - HB VAL 29 far 0 83 0 - 6.4-12.2 HD3 LYS 20 - HB VAL 29 far 0 85 0 - 6.6-12.5 HD2 LYS 43 - HB3 LYS 40 far 0 100 0 - 7.1-7.8 HD2 LYS 96 - HB3 LYS 65 far 0 64 0 - 7.4-11.0 HD3 LYS 16 - HB VAL 29 far 0 82 0 - 7.5-13.0 HD2 LYS 16 - HB VAL 29 far 0 86 0 - 7.6-13.2 HD3 LYS 43 - HB3 LYS 40 far 0 100 0 - 7.8-8.5 HD3 LYS 96 - HB2 LYS 65 far 0 69 0 - 7.8-11.1 HD3 LYS 96 - HB3 LYS 65 far 0 64 0 - 7.9-10.1 HD2 LYS 17 - HB3 LYS 115 far 0 54 0 - 8.3-11.7 HD2 LYS 96 - HB2 LYS 65 far 0 69 0 - 8.5-11.1 HB ILE 56 - HB VAL 29 far 0 82 0 - 8.5-10.9 HG12 ILE 71 - HB3 LYS 65 far 0 49 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 53 0 - 8.7-10.2 HB ILE 54 - HB VAL 29 far 0 88 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 3675 from cnoeabs.peaks (1.68, 1.95, 32.40 ppm; 2.92 A): 3 out of 19 assignments used, quality = 1.00: * HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.7 3.6=54, 3710/1.8=34...(53) HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.0-4.0 3.6=54, 3700/1.8=34...(53) HG3 LYS 123 + HB2 LYS 123 OK 41 41 100 100 2.7-2.7 2.9=98, 2.9/7129=38...(36) HG3 LYS 39 - HB3 LYS 40 far 0 65 0 - 4.5-8.1 HD2 LYS 20 - HB VAL 29 far 0 82 0 - 6.4-12.2 HD3 LYS 20 - HB VAL 29 far 0 83 0 - 6.6-12.5 HD2 LYS 43 - HB3 LYS 40 far 0 100 0 - 7.1-7.8 HD2 LYS 96 - HB3 LYS 65 far 0 64 0 - 7.4-11.0 HD3 LYS 16 - HB VAL 29 far 0 80 0 - 7.5-13.0 HD2 LYS 16 - HB VAL 29 far 0 85 0 - 7.6-13.2 HD3 LYS 43 - HB3 LYS 40 far 0 100 0 - 7.8-8.5 HD3 LYS 96 - HB2 LYS 65 far 0 68 0 - 7.8-11.1 HD3 LYS 96 - HB3 LYS 65 far 0 64 0 - 7.9-10.1 HD2 LYS 17 - HB3 LYS 115 far 0 54 0 - 8.3-11.7 HD2 LYS 96 - HB2 LYS 65 far 0 69 0 - 8.5-11.1 HB ILE 56 - HB VAL 29 far 0 80 0 - 8.5-10.9 HG12 ILE 71 - HB3 LYS 65 far 0 47 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 51 0 - 8.7-10.2 HB ILE 54 - HB VAL 29 far 0 88 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 3676 from cnoeabs.peaks (2.97, 1.95, 32.40 ppm; 4.50 A): 3 out of 13 assignments used, quality = 1.00: * HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.8-5.0 5.0=74, 3733/2.7=48...(48) HE3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.7-5.3 5.0=74, 3733/2.7=48...(48) HD3 ARG 118 + HB3 LYS 115 OK 36 53 75 91 3.1-7.1 10540/3.0=66, ~10539=44...(5) HE2 LYS 39 - HB3 LYS 40 poor 5 90 25 23 4.8-9.6 1257/3668=12, 3657/3.0=4...(5) HE3 LYS 39 - HB3 LYS 40 poor 4 84 25 21 4.7-10.0 1257/3668=9, ~3657=3...(6) HE3 LYS 43 - HB3 LYS 40 far 0 97 0 - 6.2-9.2 HE2 LYS 43 - HB3 LYS 40 far 0 87 0 - 7.0-9.3 HE3 LYS 20 - HB VAL 29 far 0 86 0 - 7.3-14.0 HE2 LYS 20 - HB VAL 29 far 0 86 0 - 7.7-14.4 HB2 ASN 24 - HB VAL 29 far 0 88 0 - 8.7-15.5 HD3 ARG 118 - HB2 LYS 123 far 0 73 0 - 9.7-14.1 HB3 ASN 24 - HB VAL 29 far 0 88 0 - 9.8-15.4 HE2 LYS 73 - HB3 LYS 65 far 0 45 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3677 from cnoeabs.peaks (2.97, 1.95, 32.40 ppm; 4.50 A): 3 out of 13 assignments used, quality = 1.00: * HE3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.7-5.3 5.0=74, 3733/2.7=48...(48) HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.8-5.0 5.0=74, 3733/2.7=48...(48) HD3 ARG 118 + HB3 LYS 115 OK 35 51 75 91 3.1-7.1 10540/3.0=65, ~10539=44...(5) HE3 LYS 39 - HB3 LYS 40 poor 19 77 25 - 4.7-10.0 HE2 LYS 39 - HB3 LYS 40 poor 5 84 25 23 4.8-9.6 1257/3668=12, 3657/3.0=4...(5) HE3 LYS 43 - HB3 LYS 40 far 0 94 0 - 6.2-9.2 HE2 LYS 43 - HB3 LYS 40 far 0 81 0 - 7.0-9.3 HE3 LYS 20 - HB VAL 29 far 0 87 0 - 7.3-14.0 HE2 LYS 20 - HB VAL 29 far 0 87 0 - 7.7-14.4 HB2 ASN 24 - HB VAL 29 far 0 88 0 - 8.7-15.5 HD3 ARG 118 - HB2 LYS 123 far 0 71 0 - 9.7-14.1 HB3 ASN 24 - HB VAL 29 far 0 88 0 - 9.8-15.4 HE2 LYS 73 - HB3 LYS 65 far 0 40 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (7.78, 1.38, 24.98 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.0-3.9 1254/1.8=94, 1251/2.7=91...(20) H LYS 40 + HG3 LYS 43 OK 72 84 95 91 4.8-5.7 1253=41, 3.0/3652=34...(11) H LYS 96 - HG2 LYS 94 poor 11 44 25 - 4.7-7.0 Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (4.02, 1.38, 24.98 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.6-3.8 3653/1.8=74, 3650/2.7=70...(30) HA LYS 40 + HG3 LYS 43 OK 76 84 100 90 3.4-4.1 3652=45, 8065/3.0=34...(10) HA GLU 92 - HG2 LYS 94 far 4 40 10 - 4.8-8.0 HA GLU 87 - HG2 LYS 94 far 0 35 0 - 6.5-10.1 HA GLU 66 - HG3 LYS 43 far 0 82 0 - 9.2-11.8 Violated in 1 structures by 0.00 A. Peak 3680 from cnoeabs.peaks (1.99, 1.38, 24.98 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-2.9 2.7=100 HB2 LYS 40 - HG3 LYS 43 far 0 84 0 - 6.3-7.0 HB3 LYS 96 - HG2 LYS 94 far 0 23 0 - 6.4-9.1 HB3 GLU 103 - HG2 LYS 94 far 0 47 0 - 8.0-11.5 Violated in 0 structures by 0.00 A. Peak 3681 from cnoeabs.peaks (1.95, 1.38, 24.98 ppm; 3.00 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.3-3.0 2.7=100 HB3 LYS 39 - HG2 LYS 40 far 15 100 15 - 2.6-5.6 HB3 LYS 39 - HG3 LYS 43 lone 13 83 85 18 3.2-4.9 4.3/1253=10, 3651/3652=8 HB VAL 104 - HG2 LYS 94 poor 12 48 45 56 2.8-7.5 ~10228=21, ~11509=17...(8) HB2 LYS 39 - HG2 LYS 40 far 9 90 10 - 3.3-7.0 HB2 LYS 39 - HG3 LYS 43 far 7 70 10 - 3.9-6.2 HB3 MET 42 - HG3 LYS 43 far 4 81 5 - 3.7-5.5 HB2 LEU 70 - HG3 LYS 43 far 0 83 0 - 4.5-8.1 HB3 LYS 40 - HG3 LYS 43 far 0 84 0 - 5.7-6.4 HB2 GLU 41 - HG2 LYS 40 far 0 99 0 - 6.0-8.2 HB2 GLU 41 - HG3 LYS 43 far 0 81 0 - 6.5-8.7 HB3 GLU 41 - HG2 LYS 40 far 0 99 0 - 7.2-8.7 HB3 GLU 41 - HG3 LYS 43 far 0 82 0 - 7.3-8.5 HB3 MET 42 - HG2 LYS 40 far 0 99 0 - 7.9-10.0 HB2 LEU 70 - HG2 LYS 40 far 0 100 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 3682 from cnoeabs.peaks (1.38, 1.38, 24.98 ppm; diagonal): 3 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 4 assignments used, quality = 1.00: * HG3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 82 - HG2 LYS 94 far 2 48 5 - 3.9-9.8 HG LEU 90 - HG2 LYS 94 far 2 23 10 - 2.8-9.5 HG3 LYS 40 - HG3 LYS 43 far 0 84 0 - 4.7-6.9 Violated in 0 structures by 0.00 A. Peak 3684 from cnoeabs.peaks (1.68, 1.38, 24.98 ppm; 2.58 A): 4 out of 18 assignments used, quality = 1.00: * HD2 LYS 40 + HG2 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=69, 3694/1.8=34...(47) HD3 LYS 40 + HG2 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=69, 3694/1.8=34...(47) HD3 LYS 43 + HG3 LYS 43 OK 82 84 100 98 2.4-3.0 2.9=69, 3847/1.8=30...(45) HD2 LYS 43 + HG3 LYS 43 OK 81 83 100 98 2.5-3.0 2.9=69, 3846/1.8=30...(54) HD2 LYS 40 - HG3 LYS 43 far 8 84 10 - 4.0-7.8 HG3 LYS 39 - HG2 LYS 40 far 7 70 10 - 3.8-7.8 HG3 ARG 95 - HG2 LYS 94 far 7 45 15 - 2.8-8.6 HD3 LYS 40 - HG3 LYS 43 lone 7 84 45 18 3.5-6.9 3654/3652=6, 1256/1253=3...(5) HD2 LYS 44 - HG2 LYS 40 far 3 61 5 - 3.5-8.6 HG3 LYS 39 - HG3 LYS 43 far 0 52 0 - 4.6-6.6 HD2 LYS 96 - HG2 LYS 94 far 0 48 0 - 6.3-9.6 HD2 LYS 43 - HG2 LYS 40 far 0 100 0 - 7.1-9.1 HD3 LYS 96 - HG2 LYS 94 far 0 48 0 - 7.2-9.8 HD3 LYS 73 - HG3 LYS 43 far 0 84 0 - 7.4-11.8 HD2 LYS 44 - HG3 LYS 43 far 0 45 0 - 7.8-9.8 HD3 LYS 43 - HG2 LYS 40 far 0 100 0 - 7.8-9.5 HD2 LYS 73 - HG3 LYS 43 far 0 83 0 - 8.6-12.3 HG12 ILE 71 - HG3 LYS 43 far 0 67 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (1.68, 1.38, 24.98 ppm; 2.58 A): 4 out of 16 assignments used, quality = 1.00: * HD3 LYS 40 + HG2 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=69, 3695/1.8=34...(47) HD2 LYS 40 + HG2 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=69, 3695/1.8=34...(47) HD2 LYS 43 + HG3 LYS 43 OK 82 84 100 98 2.5-3.0 2.9=69, 3846/1.8=31...(54) HD3 LYS 43 + HG3 LYS 43 OK 81 83 100 98 2.4-3.0 2.9=69, 3847/1.8=30...(45) HD2 LYS 40 - HG3 LYS 43 far 8 84 10 - 4.0-7.8 HG3 ARG 95 - HG2 LYS 94 far 7 46 15 - 2.8-8.6 HD3 LYS 40 - HG3 LYS 43 lone 7 84 45 18 3.5-6.9 3655/3652=6, 1256/1253=3...(5) HG3 LYS 39 - HG2 LYS 40 far 7 65 10 - 3.8-7.8 HG3 LYS 39 - HG3 LYS 43 far 0 48 0 - 4.6-6.6 HD2 LYS 96 - HG2 LYS 94 far 0 48 0 - 6.3-9.6 HD2 LYS 43 - HG2 LYS 40 far 0 100 0 - 7.1-9.1 HD3 LYS 96 - HG2 LYS 94 far 0 48 0 - 7.2-9.8 HD3 LYS 73 - HG3 LYS 43 far 0 83 0 - 7.4-11.8 HD3 LYS 43 - HG2 LYS 40 far 0 100 0 - 7.8-9.5 HD2 LYS 73 - HG3 LYS 43 far 0 82 0 - 8.6-12.3 HG12 ILE 71 - HG3 LYS 43 far 0 64 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 3686 from cnoeabs.peaks (2.97, 1.38, 24.98 ppm; 3.38 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.0-4.0 3.9=63, 3733/1.8=44...(60) HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-4.0 3.9=63, 3733/1.8=44...(62) HE3 LYS 43 + HG3 LYS 43 OK 78 78 100 100 2.3-3.8 3.9=64, 3884/1.8=33...(95) HE2 LYS 43 + HG3 LYS 43 OK 67 67 100 100 2.1-3.7 3.9=64, 3884/1.8=34...(101) HE3 LYS 39 - HG3 LYS 43 poor 19 64 30 - 2.0-8.0 HE2 LYS 39 - HG3 LYS 43 poor 17 70 25 - 3.0-8.5 HE3 LYS 39 - HG2 LYS 40 poor 17 84 20 - 3.1-9.6 HE3 LYS 106 - HG2 LYS 94 poor 12 31 40 - 4.0-7.2 HE2 LYS 106 - HG2 LYS 94 poor 10 29 35 - 3.5-7.1 HE2 LYS 40 - HG3 LYS 43 far 8 84 10 - 4.7-8.1 HE2 LYS 39 - HG2 LYS 40 lone 2 90 25 11 2.8-8.4 1257/4.8=5, 3696/1.8=2 HE3 LYS 40 - HG3 LYS 43 far 0 84 0 - 5.8-8.7 HE2 LYS 43 - HG2 LYS 40 far 0 87 0 - 6.0-10.0 HE3 LYS 43 - HG2 LYS 40 far 0 97 0 - 6.4-10.0 HE2 LYS 73 - HG3 LYS 43 far 0 61 0 - 6.6-12.7 HE3 LYS 73 - HG3 LYS 43 far 0 74 0 - 7.1-11.7 Violated in 0 structures by 0.00 A. Peak 3687 from cnoeabs.peaks (2.97, 1.38, 24.98 ppm; 3.38 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-4.0 3.9=63, 3733/1.8=44...(62) HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.0-4.0 3.9=63, 3733/1.8=44...(60) HE3 LYS 43 + HG3 LYS 43 OK 74 74 100 100 2.3-3.8 3.9=64, 3884/1.8=30...(95) HE2 LYS 43 + HG3 LYS 43 OK 61 61 100 100 2.1-3.7 3.9=64, 3884/1.8=30...(102) HE3 LYS 39 - HG3 LYS 43 poor 17 58 30 - 2.0-8.0 HE2 LYS 39 - HG3 LYS 43 poor 16 64 25 - 3.0-8.5 HE3 LYS 39 - HG2 LYS 40 poor 15 77 20 - 3.1-9.6 HE3 LYS 106 - HG2 LYS 94 poor 14 35 40 - 4.0-7.2 HE2 LYS 106 - HG2 LYS 94 poor 11 33 35 - 3.5-7.1 HE2 LYS 40 - HG3 LYS 43 far 8 84 10 - 4.7-8.1 HE2 LYS 39 - HG2 LYS 40 lone 2 84 25 11 2.8-8.4 1257/4.8=5, 3696/1.8=2 HE3 LYS 40 - HG3 LYS 43 far 0 84 0 - 5.8-8.7 HE2 LYS 43 - HG2 LYS 40 far 0 81 0 - 6.0-10.0 HE3 LYS 43 - HG2 LYS 40 far 0 94 0 - 6.4-10.0 HE2 LYS 73 - HG3 LYS 43 far 0 55 0 - 6.6-12.7 HE3 LYS 73 - HG3 LYS 43 far 0 70 0 - 7.1-11.7 Violated in 0 structures by 0.00 A. Peak 3688 from cnoeabs.peaks (7.78, 1.62, 24.98 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.0-3.2 1254=100, 1251/2.7=84...(22) Violated in 0 structures by 0.00 A. Peak 3689 from cnoeabs.peaks (4.02, 1.62, 24.98 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.4-3.9 3653=100, 3650/2.7=77...(31) Violated in 2 structures by 0.01 A. 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 100 100 100 100 2.2-3.0 2.7=100 Violated in 0 structures by 0.00 A. Peak 3691 from cnoeabs.peaks (1.95, 1.62, 24.98 ppm; 3.23 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.6-3.0 2.7=100 HB3 LYS 39 + HG3 LYS 40 OK 62 100 100 62 2.8-4.6 4.3/1254=32...(11) HB2 LYS 39 + HG3 LYS 40 OK 28 90 65 48 3.2-5.6 4.3/1254=32, 3701/2.9=5...(10) HB2 GLU 41 - HG3 LYS 40 far 0 99 0 - 6.1-7.4 HB3 GLU 41 - HG3 LYS 40 far 0 99 0 - 6.1-8.3 HB3 MET 42 - HG3 LYS 40 far 0 99 0 - 7.7-9.4 HB2 LEU 70 - HG3 LYS 40 far 0 100 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3692 from cnoeabs.peaks (1.38, 1.62, 24.98 ppm; 2.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 43 - HG3 LYS 40 far 0 94 0 - 4.7-6.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HD3 LYS 40 + HG3 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3710/2.7=17...(52) * HD2 LYS 40 + HG3 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3700/2.7=17...(51) HG3 LYS 39 - HG3 LYS 40 poor 14 70 20 - 2.1-7.3 HD2 LYS 44 - HG3 LYS 40 far 0 61 0 - 4.1-8.8 HD2 LYS 43 - HG3 LYS 40 far 0 100 0 - 6.2-9.0 HD3 LYS 43 - HG3 LYS 40 far 0 100 0 - 7.2-9.5 Violated in 12 structures by 0.05 A. Peak 3695 from cnoeabs.peaks (1.68, 1.62, 24.98 ppm; 2.40 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 40 + HG3 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3710/2.7=17...(52) HD2 LYS 40 + HG3 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3700/2.7=17...(51) HG3 LYS 39 - HG3 LYS 40 poor 13 65 20 - 2.1-7.3 HD2 LYS 43 - HG3 LYS 40 far 0 100 0 - 6.2-9.0 HD3 LYS 43 - HG3 LYS 40 far 0 100 0 - 7.2-9.5 Violated in 12 structures by 0.05 A. Peak 3696 from cnoeabs.peaks (2.97, 1.62, 24.98 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-3.7 3.9=72, 1.8/3733=46...(67) HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-4.0 3.9=72, 1.8/3733=46...(69) HE2 LYS 39 - HG3 LYS 40 poor 6 90 30 24 2.2-7.0 5.0/3691=10, 1257/1254=7...(4) HE3 LYS 39 - HG3 LYS 40 poor 5 84 25 23 2.1-8.3 5.0/3691=10, 1257/1254=5...(4) HE3 LYS 43 - HG3 LYS 40 far 5 97 5 - 4.7-9.9 HE2 LYS 43 - HG3 LYS 40 far 0 87 0 - 5.3-9.6 Violated in 0 structures by 0.00 A. Peak 3697 from cnoeabs.peaks (2.97, 1.62, 24.98 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-4.0 3.9=72, 1.8/3733=46...(69) HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.1-3.7 3.9=72, 1.8/3733=46...(67) HE3 LYS 39 - HG3 LYS 40 poor 19 77 25 - 2.1-8.3 HE2 LYS 39 - HG3 LYS 40 poor 6 84 30 24 2.2-7.0 5.0/3691=10, 1257/1254=7...(4) HE3 LYS 43 - HG3 LYS 40 far 5 94 5 - 4.7-9.9 HE2 LYS 43 - HG3 LYS 40 far 0 81 0 - 5.3-9.6 Violated in 0 structures by 0.00 A. Peak 3699 from cnoeabs.peaks (4.02, 1.68, 29.33 ppm; 3.34 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.0-4.1 3653/2.9=52, 3654=50...(41) HA LYS 40 + HD3 LYS 40 OK 100 100 100 100 1.7-4.2 3653/2.9=52, 3654=50...(42) HA GLU 13 + HD3 LYS 16 OK 26 87 35 85 2.2-5.9 11425/2.9=41...(7) HA GLU 13 - HD2 LYS 16 poor 19 93 20 - 3.7-6.1 Violated in 4 structures by 0.01 A. Peak 3700 from cnoeabs.peaks (1.99, 1.68, 29.33 ppm; 2.84 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.9-4.0 3.6=50, 3665/1.8=29...(58) HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.1-4.0 3.6=50, 3665/1.8=29...(58) HB2 LYS 17 - HD3 LYS 16 far 0 88 0 - 6.6-8.9 HB2 LYS 17 - HD2 LYS 16 far 0 94 0 - 7.3-8.7 Violated in 17 structures by 0.31 A. Peak 3701 from cnoeabs.peaks (1.95, 1.68, 29.33 ppm; 2.69 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 40 + HD2 LYS 40 OK 99 100 100 99 2.0-4.0 3.6=42, 1.8/3700=30...(53) HB3 LYS 40 + HD3 LYS 40 OK 99 100 100 99 2.8-3.7 3.6=42, 1.8/3700=30...(53) HB3 LYS 39 + HD3 LYS 40 OK 36 100 80 45 2.4-5.5 3691/2.9=11, 3651/3654=7...(18) HB2 LYS 39 + HD3 LYS 40 OK 21 89 60 39 3.2-6.9 4.3/1256=7, ~3691=6...(19) HB3 LYS 39 - HD2 LYS 40 poor 19 100 40 47 2.3-6.5 3691/2.9=11, 3651/3654=7...(20) HB2 LYS 39 - HD2 LYS 40 far 4 90 5 - 2.7-7.7 HB2 GLU 41 - HD3 LYS 40 far 0 99 0 - 6.3-8.2 HB2 GLU 41 - HD2 LYS 40 far 0 99 0 - 6.4-9.1 HB3 GLU 41 - HD3 LYS 40 far 0 99 0 - 6.5-9.4 HB3 MET 42 - HD3 LYS 40 far 0 99 0 - 6.6-9.6 HB3 MET 42 - HD2 LYS 40 far 0 99 0 - 7.5-9.9 HB VAL 29 - HD3 LYS 16 far 0 81 0 - 7.5-13.0 HB VAL 29 - HD2 LYS 16 far 0 88 0 - 7.6-13.2 HB3 GLU 41 - HD2 LYS 40 far 0 99 0 - 7.9-9.2 HB2 LEU 70 - HD3 LYS 40 far 0 100 0 - 8.4-12.4 HB2 LEU 70 - HD2 LYS 40 far 0 100 0 - 8.8-12.7 Violated in 2 structures by 0.04 A. Peak 3702 from cnoeabs.peaks (1.38, 1.68, 29.33 ppm; 2.61 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 40 + HD2 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=70, 1.8/3694=34...(48) HG2 LYS 40 + HD3 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=70, 1.8/3694=34...(48) HG3 LYS 16 + HD2 LYS 16 OK 61 62 100 98 2.3-3.0 2.9=70, 1.8/2756=31...(47) HG3 LYS 16 + HD3 LYS 16 OK 54 55 100 98 2.3-3.0 2.9=70, 1.8/2756=31...(47) HG3 LYS 43 - HD2 LYS 40 far 9 94 10 - 4.0-7.8 HG3 LYS 43 - HD3 LYS 40 lone 8 94 50 18 3.5-6.9 3652/3654=6, 1253/1256=3...(5) HG LEU 14 - HD3 LYS 16 far 0 88 0 - 9.1-11.9 HB3 LEU 114 - HD3 LYS 16 far 0 52 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 3703 from cnoeabs.peaks (1.62, 1.68, 29.33 ppm; 2.40 A): 4 out of 4 assignments used, quality = 1.00: HG3 LYS 40 + HD3 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3694/1.8=30...(50) * HG3 LYS 40 + HD2 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3695/1.8=30...(49) HG2 LYS 16 + HD2 LYS 16 OK 87 90 100 97 2.4-3.0 2.9=55, 2757/1.8=26...(47) HG2 LYS 16 + HD3 LYS 16 OK 80 83 100 97 2.3-3.0 2.9=55, 2756/1.8=26...(47) Violated in 0 structures by 0.00 A. 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 16 assignments used, quality = 1.00: HE3 LYS 40 + HD2 LYS 40 OK 97 100 100 97 2.2-3.0 3.0=70, 3733/2.9=20...(53) HE3 LYS 40 + HD3 LYS 40 OK 97 100 100 97 2.6-3.0 3.0=70, 3733/2.9=20...(53) HE2 LYS 40 + HD3 LYS 40 OK 97 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(51) * HE2 LYS 40 + HD2 LYS 40 OK 97 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(50) HE3 LYS 39 - HD2 LYS 40 far 13 84 15 - 2.4-8.7 HE2 LYS 39 - HD2 LYS 40 far 9 90 10 - 2.0-8.3 HE2 LYS 39 - HD3 LYS 40 lone 2 89 30 6 2.7-7.3 5.0/3701=2, 1257/6.2=2 HE3 LYS 39 - HD3 LYS 40 lone 1 84 25 5 2.3-7.6 5.0/3701=2, 5.0/3701=1 HE3 LYS 43 - HD3 LYS 40 far 0 97 0 - 4.5-9.0 HE2 LYS 43 - HD3 LYS 40 far 0 87 0 - 4.8-9.6 HE3 LYS 43 - HD2 LYS 40 far 0 97 0 - 4.9-10.4 HE2 LYS 20 - HD3 LYS 16 far 0 87 0 - 5.3-13.1 HE2 LYS 20 - HD2 LYS 16 far 0 93 0 - 5.4-12.9 HE2 LYS 43 - HD2 LYS 40 far 0 87 0 - 5.4-9.4 HE3 LYS 20 - HD2 LYS 16 far 0 93 0 - 5.5-12.4 HE3 LYS 20 - HD3 LYS 16 far 0 87 0 - 6.5-13.3 Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HD2 LYS 40 OK 97 100 100 97 2.2-3.0 3.0=70, 3733/2.9=20...(53) HE3 LYS 40 + HD3 LYS 40 OK 97 100 100 97 2.6-3.0 3.0=70, 3733/2.9=20...(53) HE2 LYS 40 + HD2 LYS 40 OK 96 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(50) HE2 LYS 40 + HD3 LYS 40 OK 96 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(51) HE3 LYS 39 - HD3 LYS 40 poor 19 77 25 - 2.3-7.6 HE3 LYS 39 - HD2 LYS 40 far 12 77 15 - 2.4-8.7 HE2 LYS 39 - HD2 LYS 40 far 8 84 10 - 2.0-8.3 HE2 LYS 39 - HD3 LYS 40 lone 2 84 30 6 2.7-7.3 5.0/3701=2, 1257/6.2=2 HE3 LYS 43 - HD3 LYS 40 far 0 94 0 - 4.5-9.0 HE2 LYS 43 - HD3 LYS 40 far 0 80 0 - 4.8-9.6 HE3 LYS 43 - HD2 LYS 40 far 0 94 0 - 4.9-10.4 HE2 LYS 20 - HD3 LYS 16 far 0 88 0 - 5.3-13.1 HE2 LYS 20 - HD2 LYS 16 far 0 95 0 - 5.4-12.9 HE2 LYS 43 - HD2 LYS 40 far 0 81 0 - 5.4-9.4 HE3 LYS 20 - HD2 LYS 16 far 0 95 0 - 5.5-12.4 HE3 LYS 20 - HD3 LYS 16 far 0 88 0 - 6.5-13.3 Violated in 0 structures by 0.00 A. Peak 3709 from cnoeabs.peaks (4.02, 1.68, 29.33 ppm; 3.34 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 40 + HD3 LYS 40 OK 100 100 100 100 1.7-4.2 3653/2.9=52, 3655=50...(42) HA LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.0-4.1 3653/2.9=52, 3655=50...(41) HA GLU 13 + HD3 LYS 16 OK 25 84 35 85 2.2-5.9 11425/2.9=41...(7) HA GLU 13 - HD2 LYS 16 poor 18 92 20 - 3.7-6.1 Violated in 4 structures by 0.01 A. Peak 3710 from cnoeabs.peaks (1.99, 1.68, 29.33 ppm; 2.84 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.1-4.0 3.6=50, 3665/1.8=29...(58) HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.9-4.0 3.6=50, 3665/1.8=29...(58) HB2 LYS 17 - HD3 LYS 16 far 0 84 0 - 6.6-8.9 HB2 LYS 17 - HD2 LYS 16 far 0 92 0 - 7.3-8.7 Violated in 17 structures by 0.31 A. Peak 3711 from cnoeabs.peaks (1.95, 1.68, 29.33 ppm; 2.69 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 40 + HD3 LYS 40 OK 99 100 100 99 2.8-3.7 3.6=42, 1.8/3710=30...(53) HB3 LYS 40 + HD2 LYS 40 OK 99 100 100 99 2.0-4.0 3.6=42, 1.8/3710=30...(53) HB3 LYS 39 + HD3 LYS 40 OK 36 100 80 45 2.4-5.5 3691/2.9=11, 3651/3655=7...(18) HB2 LYS 39 + HD3 LYS 40 OK 21 90 60 39 3.2-6.9 4.3/1256=7, ~3691=6...(19) HB3 LYS 39 - HD2 LYS 40 poor 19 100 40 47 2.3-6.5 3691/2.9=11, 3651/3655=7...(20) HB2 LYS 39 - HD2 LYS 40 far 4 89 5 - 2.7-7.7 HB2 GLU 41 - HD3 LYS 40 far 0 99 0 - 6.3-8.2 HB2 GLU 41 - HD2 LYS 40 far 0 99 0 - 6.4-9.1 HB3 GLU 41 - HD3 LYS 40 far 0 99 0 - 6.5-9.4 HB3 MET 42 - HD3 LYS 40 far 0 99 0 - 6.6-9.6 HB3 MET 42 - HD2 LYS 40 far 0 99 0 - 7.5-9.9 HB VAL 29 - HD3 LYS 16 far 0 78 0 - 7.5-13.0 HB VAL 29 - HD2 LYS 16 far 0 86 0 - 7.6-13.2 HB3 GLU 41 - HD2 LYS 40 far 0 99 0 - 7.9-9.2 HB2 LEU 70 - HD3 LYS 40 far 0 100 0 - 8.4-12.4 HB2 LEU 70 - HD2 LYS 40 far 0 100 0 - 8.8-12.7 Violated in 2 structures by 0.04 A. Peak 3712 from cnoeabs.peaks (1.38, 1.68, 29.33 ppm; 2.61 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 40 + HD3 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=70, 1.8/3695=34...(48) HG2 LYS 40 + HD2 LYS 40 OK 99 100 100 99 2.3-3.0 2.9=70, 1.8/3695=34...(48) HG3 LYS 16 + HD2 LYS 16 OK 59 60 100 98 2.3-3.0 2.9=70, 1.8/2756=31...(47) HG3 LYS 16 + HD3 LYS 16 OK 52 53 100 98 2.3-3.0 2.9=70, 1.8/2756=31...(47) HG3 LYS 43 - HD2 LYS 40 far 9 94 10 - 4.0-7.8 HG3 LYS 43 - HD3 LYS 40 lone 8 94 50 18 3.5-6.9 3652/3655=6, 1253/1256=3...(5) HG LEU 14 - HD3 LYS 16 far 0 85 0 - 9.1-11.9 HB3 LEU 114 - HD3 LYS 16 far 0 49 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (1.62, 1.68, 29.33 ppm; 2.40 A): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 40 + HD3 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3694/1.8=30...(50) HG3 LYS 40 + HD2 LYS 40 OK 98 100 100 98 2.3-3.0 2.9=55, 3695/1.8=30...(49) HG2 LYS 16 + HD2 LYS 16 OK 85 88 100 97 2.4-3.0 2.9=55, 2757/1.8=26...(47) HG2 LYS 16 + HD3 LYS 16 OK 77 80 100 97 2.3-3.0 2.9=55, 2756/1.8=26...(47) Violated in 0 structures by 0.00 A. 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 16 assignments used, quality = 1.00: HE3 LYS 40 + HD3 LYS 40 OK 97 100 100 97 2.6-3.0 3.0=70, 3733/2.9=20...(53) HE3 LYS 40 + HD2 LYS 40 OK 97 100 100 97 2.2-3.0 3.0=70, 3733/2.9=20...(53) * HE2 LYS 40 + HD3 LYS 40 OK 97 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(51) HE2 LYS 40 + HD2 LYS 40 OK 97 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(50) HE3 LYS 39 - HD2 LYS 40 far 13 84 15 - 2.4-8.7 HE2 LYS 39 - HD2 LYS 40 far 9 89 10 - 2.0-8.3 HE2 LYS 39 - HD3 LYS 40 lone 2 90 30 6 2.7-7.3 5.0/3701=2, 1257/6.2=2 HE3 LYS 39 - HD3 LYS 40 lone 1 84 25 5 2.3-7.6 5.0/3701=2, 5.0/3701=1 HE3 LYS 43 - HD3 LYS 40 far 0 97 0 - 4.5-9.0 HE2 LYS 43 - HD3 LYS 40 far 0 87 0 - 4.8-9.6 HE3 LYS 43 - HD2 LYS 40 far 0 97 0 - 4.9-10.4 HE2 LYS 20 - HD3 LYS 16 far 0 84 0 - 5.3-13.1 HE2 LYS 20 - HD2 LYS 16 far 0 92 0 - 5.4-12.9 HE2 LYS 43 - HD2 LYS 40 far 0 87 0 - 5.4-9.4 HE3 LYS 20 - HD2 LYS 16 far 0 92 0 - 5.5-12.4 HE3 LYS 20 - HD3 LYS 16 far 0 84 0 - 6.5-13.3 Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HD3 LYS 40 OK 97 100 100 97 2.6-3.0 3.0=70, 3733/2.9=20...(53) HE3 LYS 40 + HD2 LYS 40 OK 97 100 100 97 2.2-3.0 3.0=70, 3733/2.9=20...(53) HE2 LYS 40 + HD3 LYS 40 OK 96 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(51) HE2 LYS 40 + HD2 LYS 40 OK 96 100 100 97 2.3-3.0 3.0=70, 3733/2.9=20...(50) HE3 LYS 39 - HD3 LYS 40 poor 19 77 25 - 2.3-7.6 HE3 LYS 39 - HD2 LYS 40 far 12 77 15 - 2.4-8.7 HE2 LYS 39 - HD2 LYS 40 far 8 84 10 - 2.0-8.3 HE2 LYS 39 - HD3 LYS 40 lone 2 84 30 6 2.7-7.3 5.0/3701=2, 1257/6.2=2 HE3 LYS 43 - HD3 LYS 40 far 0 94 0 - 4.5-9.0 HE2 LYS 43 - HD3 LYS 40 far 0 81 0 - 4.8-9.6 HE3 LYS 43 - HD2 LYS 40 far 0 94 0 - 4.9-10.4 HE2 LYS 20 - HD3 LYS 16 far 0 85 0 - 5.3-13.1 HE2 LYS 20 - HD2 LYS 16 far 0 93 0 - 5.4-12.9 HE2 LYS 43 - HD2 LYS 40 far 0 80 0 - 5.4-9.4 HE3 LYS 20 - HD2 LYS 16 far 0 93 0 - 5.5-12.4 HE3 LYS 20 - HD3 LYS 16 far 0 85 0 - 6.5-13.3 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (7.78, 2.97, 41.78 ppm; 6.20 A): 6 out of 6 assignments used, quality = 1.00: * H LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.7-5.3 1254/3.9=97, 1251/5.0=93...(21) H LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.0-5.9 1254/3.9=97, 1251/5.0=93...(21) H LYS 40 + HE2 LYS 39 OK 78 78 100 100 3.6-6.8 7476/3.6=87, 7475/3.6=86...(15) H LYS 40 + HE3 LYS 39 OK 68 68 100 100 3.2-6.8 7476/3.6=87, 7475/3.6=86...(15) H LYS 40 + HE3 LYS 43 OK 45 93 70 69 5.1-9.0 1253/3.9=38, 6081/4.7=33...(5) H LYS 40 + HE2 LYS 43 OK 41 73 80 70 5.1-8.7 1253/3.9=38, 6081/4.7=33...(6) Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (1.99, 2.97, 41.78 ppm; 3.67 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 40 + HE2 LYS 40 OK 95 100 95 100 4.0-5.2 5.0=40, 2.7/3733=39...(53) HB2 LYS 40 + HE3 LYS 40 OK 95 100 95 100 3.9-5.3 5.0=40, 2.7/3733=39...(53) HB2 LYS 40 - HE3 LYS 39 poor 14 68 20 - 4.5-9.4 HB2 LYS 40 - HE2 LYS 39 far 12 78 15 - 4.8-8.9 HB2 LYS 17 - HE2 LYS 20 far 0 98 0 - 5.7-9.3 HB2 LYS 17 - HE3 LYS 20 far 0 98 0 - 6.1-9.5 HB3 GLU 21 - HE2 LYS 20 far 0 66 0 - 6.7-10.0 HB2 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.9-10.0 HB3 GLU 21 - HE3 LYS 20 far 0 66 0 - 6.9-9.8 HB2 LYS 40 - HE2 LYS 43 far 0 73 0 - 7.3-10.1 HB VAL 22 - HE2 LYS 20 far 0 96 0 - 7.4-11.9 HB VAL 22 - HE3 LYS 20 far 0 96 0 - 8.3-11.9 Violated in 20 structures by 0.32 A. Peak 3721 from cnoeabs.peaks (1.95, 2.97, 41.78 ppm; 3.39 A): 10 out of 49 assignments used, quality = 1.00: HB3 LYS 40 + HE3 LYS 40 OK 95 100 95 100 3.7-5.3 2.7/3733=35, 5.0=32...(48) * HB3 LYS 40 + HE2 LYS 40 OK 90 100 90 100 3.8-5.0 2.7/3733=35, 1.8/3720=32...(48) HB3 LYS 39 + HE2 LYS 39 OK 76 77 100 98 2.4-4.6 5.0=31, 2.9/3632=17...(53) HB3 LYS 39 + HE3 LYS 39 OK 66 67 100 98 1.9-4.7 5.0=31, 2.9/3632=18...(54) HB2 LYS 39 + HE2 LYS 39 OK 63 64 100 98 2.6-4.6 5.0=31, 2.9/3632=17...(52) HB3 LYS 39 + HE2 LYS 40 OK 43 100 65 66 2.0-5.7 3691/3.9=13, 3701/3.0=9...(27) HB2 LYS 39 + HE3 LYS 39 OK 40 55 75 98 3.0-5.3 5.0=31, 2.9/3632=18...(54) HB3 LYS 39 + HE3 LYS 40 OK 38 99 55 69 2.2-6.7 3691/3.9=13, 3701/3.0=9...(29) HB2 LYS 39 + HE3 LYS 40 OK 28 89 50 62 3.4-7.7 4.3/1257=6, 3691/3.9=6...(27) HB2 LYS 39 + HE2 LYS 40 OK 26 90 50 59 2.1-7.2 4.3/1257=6, 2.9/3606=6...(25) HB2 LEU 70 - HE3 LYS 73 poor 17 86 20 - 3.6-8.4 HB3 LYS 39 - HE2 LYS 43 poor 14 72 20 - 2.5-7.5 HB2 LEU 70 - HE2 LYS 73 poor 12 62 20 - 4.2-9.0 HB3 LYS 40 - HE3 LYS 39 far 10 68 15 - 4.7-10.0 HB3 LYS 39 - HE3 LYS 43 far 9 92 10 - 3.0-8.6 HB2 LYS 39 - HE3 LYS 43 far 4 79 5 - 4.5-9.9 HB3 LYS 40 - HE2 LYS 39 far 4 78 5 - 4.8-9.6 HB3 MET 42 - HE2 LYS 43 far 4 70 5 - 4.9-7.0 HB2 LYS 39 - HE2 LYS 43 far 3 60 5 - 3.5-8.9 HB3 MET 42 - HE3 LYS 43 far 0 91 0 - 4.9-7.3 HB2 LEU 70 - HE2 LYS 43 far 0 72 0 - 4.9-8.5 HB2 LEU 70 - HE3 LYS 43 far 0 92 0 - 5.1-9.7 HB3 MET 42 - HE2 LYS 73 far 0 60 0 - 5.1-11.2 HB3 MET 42 - HE3 LYS 73 far 0 84 0 - 6.0-10.4 HB3 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.2-9.2 HB3 MET 42 - HE3 LYS 39 far 0 65 0 - 6.6-10.9 HB3 LYS 40 - HE2 LYS 43 far 0 73 0 - 7.0-9.3 HB2 GLU 41 - HE2 LYS 40 far 0 99 0 - 7.1-9.1 HB3 GLU 41 - HE2 LYS 40 far 0 99 0 - 7.1-10.3 HB3 MET 42 - HE2 LYS 39 far 0 75 0 - 7.2-10.7 HB VAL 29 - HE3 LYS 20 far 0 93 0 - 7.3-14.0 HB2 GLU 41 - HE3 LYS 40 far 0 98 0 - 7.4-10.0 HB2 LEU 70 - HE3 LYS 39 far 0 67 0 - 7.4-12.8 HB2 GLU 41 - HE3 LYS 39 far 0 65 0 - 7.6-11.2 HB VAL 29 - HE2 LYS 20 far 0 93 0 - 7.7-14.4 HB2 GLU 41 - HE2 LYS 39 far 0 75 0 - 7.8-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 77 0 - 7.8-12.7 HB2 GLU 41 - HE2 LYS 43 far 0 70 0 - 7.9-10.4 HB3 MET 42 - HE2 LYS 40 far 0 99 0 - 8.1-10.9 HB2 GLU 41 - HE3 LYS 43 far 0 91 0 - 8.5-11.3 HB3 GLU 41 - HE3 LYS 40 far 0 99 0 - 8.6-10.9 HB3 GLU 41 - HE2 LYS 43 far 0 71 0 - 9.0-11.0 HB3 MET 42 - HE3 LYS 40 far 0 98 0 - 9.0-11.0 HB3 GLU 41 - HE2 LYS 39 far 0 76 0 - 9.0-11.8 HB3 GLU 41 - HE3 LYS 39 far 0 66 0 - 9.1-11.4 HB3 GLU 41 - HE3 LYS 43 far 0 92 0 - 9.4-11.2 HB3 LYS 39 - HE2 LYS 73 far 0 62 0 - 9.5-15.1 HB2 LEU 70 - HE2 LYS 40 far 0 100 0 - 9.7-14.0 HB3 LYS 65 - HE2 LYS 73 far 0 48 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (1.38, 2.97, 41.78 ppm; 2.97 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.0-4.0 3.9=43, 1.8/3733=37...(58) HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.2-4.0 3.9=43, 1.8/3733=37...(61) HG3 LYS 43 + HE3 LYS 43 OK 82 84 100 98 2.3-3.8 3.9=44, 1.8/3849=21...(70) HG3 LYS 43 + HE2 LYS 43 OK 63 64 100 98 2.1-3.7 3.9=44, 1.8/3849=21...(77) HG2 LYS 40 - HE2 LYS 39 poor 16 78 20 - 2.8-8.4 HG3 LYS 43 - HE3 LYS 39 poor 15 59 25 - 2.0-8.0 HG3 LYS 43 - HE2 LYS 39 poor 14 69 20 - 3.0-8.5 HG2 LYS 40 - HE3 LYS 39 poor 14 68 20 - 3.1-9.6 HG3 LYS 43 - HE2 LYS 40 far 0 94 0 - 4.7-8.1 HG3 LYS 16 - HE3 LYS 20 far 0 66 0 - 5.7-12.6 HG3 LYS 43 - HE3 LYS 40 far 0 93 0 - 5.8-8.7 HG3 LYS 16 - HE2 LYS 20 far 0 66 0 - 5.9-12.8 HG2 LYS 40 - HE2 LYS 43 far 0 73 0 - 6.0-10.0 HG2 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.4-10.0 HG3 LYS 43 - HE2 LYS 73 far 0 54 0 - 6.6-12.7 HG3 LYS 43 - HE3 LYS 73 far 0 77 0 - 7.1-11.7 HB3 LEU 114 - HE3 LYS 20 far 0 62 0 - 7.9-13.9 HB3 LEU 68 - HE2 LYS 73 far 0 62 0 - 8.0-13.7 HB3 LEU 68 - HE3 LYS 73 far 0 86 0 - 8.2-13.4 HB3 LEU 114 - HE2 LYS 20 far 0 62 0 - 8.4-13.0 Violated in 0 structures by 0.00 A. Peak 3723 from cnoeabs.peaks (1.62, 2.97, 41.78 ppm; 2.75 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.1-3.7 3.9=34, 3695/3.0=24...(63) HG3 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.1-4.0 3.9=34, 3695/3.0=24...(65) HG3 LYS 40 - HE2 LYS 39 poor 16 78 20 - 2.2-7.0 HG3 LYS 40 - HE3 LYS 39 poor 14 68 20 - 2.1-8.3 HG2 LYS 16 - HE3 LYS 20 far 0 94 0 - 4.4-12.8 HG3 LYS 40 - HE3 LYS 43 far 0 93 0 - 4.7-9.9 HG2 LYS 16 - HE2 LYS 20 far 0 94 0 - 5.3-12.9 HG3 LYS 40 - HE2 LYS 43 far 0 73 0 - 5.3-9.6 HG LEU 63 - HE2 LYS 39 far 0 78 0 - 8.0-13.7 HG LEU 63 - HE3 LYS 39 far 0 68 0 - 8.2-13.7 Violated in 3 structures by 0.01 A. Peak 3724 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 18 out of 62 assignments used, quality = 1.00: HD3 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) * HD2 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 20 + HE2 LYS 20 OK 89 97 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 89 97 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE2 LYS 20 OK 88 96 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 88 96 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 43 + HE3 LYS 43 OK 81 93 100 87 2.5-3.0 3.0=52, 3847/3.9=11...(42) HD2 LYS 43 + HE3 LYS 43 OK 81 92 100 87 2.3-3.0 3.0=52, 3846/3.9=10...(42) HD3 LYS 73 + HE3 LYS 73 OK 78 86 100 90 2.5-3.0 2.9=56, 5187/3.8=12...(39) HD2 LYS 73 + HE3 LYS 73 OK 77 86 100 90 2.3-3.0 2.9=56, 5187/3.8=12...(39) HD3 LYS 43 + HE2 LYS 43 OK 64 73 100 88 2.3-3.0 3.0=52, 3847/3.9=11...(44) HD2 LYS 43 + HE2 LYS 43 OK 64 72 100 89 2.5-3.0 3.0=52, 3846/3.9=10...(44) HD3 LYS 73 + HE2 LYS 73 OK 56 62 100 90 2.3-3.0 2.9=56, 5187/3.8=12...(41) HD2 LYS 73 + HE2 LYS 73 OK 56 62 100 90 2.5-3.0 2.9=56, 5187/3.8=12...(41) HG3 LYS 39 + HE2 LYS 39 OK 31 47 80 82 2.5-4.2 3.6=30, 1.8/3632=13...(39) HG3 LYS 39 + HE3 LYS 39 OK 21 40 65 82 2.1-4.2 3.6=30, 1.8/3632=13...(39) HD3 LYS 40 - HE2 LYS 39 poor 20 78 25 - 2.7-7.3 HD3 LYS 40 - HE3 LYS 39 poor 14 68 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 10 68 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 8 78 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 3 68 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 3 67 5 - 3.2-10.9 HG3 LYS 39 - HE3 LYS 40 far 0 69 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 62 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 70 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 86 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 93 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 77 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 73 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 93 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 44 0 - 5.0-9.1 HD3 LYS 43 - HE2 LYS 39 far 0 78 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 60 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 94 0 - 5.3-13.1 HD2 LYS 43 - HE2 LYS 73 far 0 62 0 - 5.3-12.5 HD2 LYS 16 - HE2 LYS 20 far 0 97 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 73 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 97 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 93 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 86 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 61 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 61 0 - 6.1-10.7 HD3 LYS 73 - HE2 LYS 43 far 0 73 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 100 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 94 0 - 6.5-13.3 HD2 LYS 43 - HE3 LYS 40 far 0 99 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 92 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 72 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 100 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 70 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 99 0 - 7.3-11.3 HD2 LYS 17 - HE3 LYS 20 far 0 99 0 - 7.4-11.5 HG12 ILE 71 - HE2 LYS 73 far 0 48 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 38 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 35 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 100 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 41 0 - 8.4-14.2 HD2 LYS 44 - HE3 LYS 43 far 0 52 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 57 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 68 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3725 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 17 out of 56 assignments used, quality = 1.00: * HD3 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 20 + HE2 LYS 20 OK 88 96 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 88 96 100 92 2.4-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 20 + HE2 LYS 20 OK 86 94 100 92 2.4-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 86 94 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 43 + HE3 LYS 43 OK 81 93 100 87 2.3-3.0 3.0=52, 3846/3.9=11...(42) HD3 LYS 43 + HE3 LYS 43 OK 81 92 100 87 2.5-3.0 3.0=52, 3847/3.9=10...(42) HD3 LYS 73 + HE3 LYS 73 OK 77 86 100 90 2.5-3.0 2.9=56, 5187/3.8=12...(39) HD2 LYS 73 + HE3 LYS 73 OK 76 85 100 90 2.3-3.0 2.9=56, 5187/3.8=12...(39) HD2 LYS 43 + HE2 LYS 43 OK 65 73 100 89 2.5-3.0 3.0=52, 3846/3.9=11...(44) HD3 LYS 43 + HE2 LYS 43 OK 64 72 100 88 2.3-3.0 3.0=52, 3847/3.9=10...(44) HD3 LYS 73 + HE2 LYS 73 OK 56 62 100 90 2.3-3.0 2.9=56, 5187/3.8=12...(41) HD2 LYS 73 + HE2 LYS 73 OK 55 61 100 90 2.5-3.0 2.9=56, 5187/3.8=12...(41) HG3 LYS 39 + HE2 LYS 39 OK 29 44 80 82 2.5-4.2 3.6=30, 1.8/3632=13...(39) HG3 LYS 39 - HE3 LYS 39 poor 20 37 65 82 2.1-4.2 3.6=30, 1.8/3632=13...(39) HD3 LYS 40 - HE2 LYS 39 poor 20 78 25 - 2.7-7.3 HD3 LYS 40 - HE3 LYS 39 poor 14 68 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 10 68 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 8 78 10 - 2.0-8.3 HD2 LYS 43 - HE3 LYS 39 far 3 68 5 - 3.2-10.9 HD3 LYS 43 - HE3 LYS 39 far 3 67 5 - 3.9-10.6 HG3 LYS 39 - HE3 LYS 40 far 0 65 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 62 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 65 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 86 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 93 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 78 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 73 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 93 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 41 0 - 5.0-9.1 HD3 LYS 43 - HE2 LYS 39 far 0 77 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 56 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 93 0 - 5.3-13.1 HD2 LYS 43 - HE2 LYS 73 far 0 62 0 - 5.3-12.5 HD2 LYS 16 - HE2 LYS 20 far 0 97 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 73 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 97 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 92 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 86 0 - 5.7-11.1 HD3 LYS 73 - HE2 LYS 43 far 0 72 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 100 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 93 0 - 6.5-13.3 HD2 LYS 43 - HE3 LYS 40 far 0 100 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 92 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 71 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 100 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 67 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 99 0 - 7.3-11.3 HD2 LYS 17 - HE3 LYS 20 far 0 99 0 - 7.4-11.5 HG12 ILE 71 - HE2 LYS 73 far 0 46 0 - 8.0-10.8 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 8.3-11.3 HG12 ILE 71 - HE2 LYS 43 far 0 55 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 67 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 10 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): 10 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 15 assignments used, quality = 1.00: * HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.9-5.3 5.0=64, 2.7/3733=46...(53) HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 4.0-5.2 5.0=64, 2.7/3733=46...(53) HB2 LYS 40 - HE3 LYS 39 poor 11 57 20 - 4.5-9.4 HB2 LYS 40 - HE2 LYS 39 far 10 68 15 - 4.8-8.9 HB2 LYS 17 - HE2 LYS 20 far 5 99 5 - 5.7-9.3 HB2 LYS 17 - HE3 LYS 20 far 0 99 0 - 6.1-9.5 HB3 GLU 21 - HE2 LYS 20 far 0 69 0 - 6.7-10.0 HB2 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.9-10.0 HB3 GLU 21 - HE3 LYS 20 far 0 69 0 - 6.9-9.8 HB2 LYS 40 - HE2 LYS 43 far 0 63 0 - 7.3-10.1 HB VAL 22 - HE2 LYS 20 far 0 98 0 - 7.4-11.9 HB VAL 22 - HE3 LYS 20 far 0 98 0 - 8.3-11.9 HB3 GLU 103 - HE2 LYS 106 far 0 62 0 - 8.9-12.9 HB3 GLU 103 - HE3 LYS 106 far 0 67 0 - 9.7-14.0 HB3 LYS 96 - HE2 LYS 106 far 0 31 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (1.95, 2.97, 41.78 ppm; 3.71 A): 10 out of 47 assignments used, quality = 1.00: HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.8-5.0 5.0=42, 2.7/3733=40...(48) * HB3 LYS 40 + HE3 LYS 40 OK 95 100 95 100 3.7-5.3 5.0=42, 2.7/3733=40...(48) HB3 LYS 39 + HE2 LYS 39 OK 67 67 100 99 2.4-4.6 5.0=41, ~3642=20...(54) HB3 LYS 39 + HE3 LYS 39 OK 56 56 100 99 1.9-4.7 5.0=41, ~3642=20...(55) HB2 LYS 39 + HE2 LYS 39 OK 55 55 100 99 2.6-4.6 5.0=41, ~3642=20...(53) HB3 LYS 39 + HE3 LYS 40 OK 53 100 70 76 2.2-6.7 3691/3.9=16, 3701/3.0=10...(29) HB3 LYS 39 + HE2 LYS 40 OK 51 99 70 73 2.0-5.7 3691/3.9=16, 3701/3.0=10...(27) HB2 LYS 39 + HE3 LYS 39 OK 41 46 90 99 3.0-5.3 5.0=41, ~3642=20...(54) HB2 LYS 39 + HE3 LYS 40 OK 34 90 55 70 3.4-7.7 4.3/1257=8, 3691/3.9=7...(27) HB2 LYS 39 + HE2 LYS 40 OK 32 89 55 66 2.1-7.2 4.3/1257=8, 3691/3.9=7...(25) HB3 MET 42 - HE2 LYS 43 poor 12 60 20 - 4.9-7.0 HB3 LYS 40 - HE3 LYS 39 far 9 57 15 - 4.7-10.0 HB2 LYS 39 - HE3 LYS 43 far 7 72 10 - 4.5-9.9 HB2 LEU 70 - HE3 LYS 43 far 4 86 5 - 5.1-9.7 HB3 MET 42 - HE3 LYS 43 far 4 84 5 - 4.9-7.3 HB2 LEU 70 - HE3 LYS 73 lone 4 77 35 15 3.6-8.4 ~11077=8, ~11661=7 HB3 LYS 39 - HE2 LYS 43 lone 4 62 40 16 2.5-7.5 3681/3.9=5, 3.0/3566=2...(7) HB3 LYS 39 - HE3 LYS 43 lone 3 86 25 16 3.0-8.6 3681/3.9=5, ~3567=2...(7) HB3 LYS 40 - HE2 LYS 39 far 3 68 5 - 4.8-9.6 HB2 LEU 70 - HE2 LYS 43 far 3 62 5 - 4.9-8.5 HB2 LYS 39 - HE2 LYS 43 far 3 50 5 - 3.5-8.9 HB3 MET 42 - HE3 LYS 73 far 0 75 0 - 6.0-10.4 HB VAL 104 - HE2 LYS 106 far 0 63 0 - 6.1-11.3 HB3 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.2-9.2 HB VAL 104 - HE3 LYS 106 far 0 68 0 - 6.3-11.4 HB3 MET 42 - HE3 LYS 39 far 0 55 0 - 6.6-10.9 HB3 LYS 40 - HE2 LYS 43 far 0 63 0 - 7.0-9.3 HB2 GLU 41 - HE2 LYS 40 far 0 98 0 - 7.1-9.1 HB3 GLU 41 - HE2 LYS 40 far 0 99 0 - 7.1-10.3 HB3 MET 42 - HE2 LYS 39 far 0 65 0 - 7.2-10.7 HB VAL 29 - HE3 LYS 20 far 0 95 0 - 7.3-14.0 HB2 GLU 41 - HE3 LYS 40 far 0 99 0 - 7.4-10.0 HB2 LEU 70 - HE3 LYS 39 far 0 56 0 - 7.4-12.8 HB2 GLU 41 - HE3 LYS 39 far 0 55 0 - 7.6-11.2 HB VAL 29 - HE2 LYS 20 far 0 95 0 - 7.7-14.4 HB2 GLU 41 - HE2 LYS 39 far 0 65 0 - 7.8-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 67 0 - 7.8-12.7 HB2 GLU 41 - HE2 LYS 43 far 0 60 0 - 7.9-10.4 HB3 MET 42 - HE2 LYS 40 far 0 98 0 - 8.1-10.9 HB2 GLU 41 - HE3 LYS 43 far 0 84 0 - 8.5-11.3 HB3 GLU 41 - HE3 LYS 40 far 0 99 0 - 8.6-10.9 HB3 GLU 41 - HE2 LYS 43 far 0 61 0 - 9.0-11.0 HB3 MET 42 - HE3 LYS 40 far 0 99 0 - 9.0-11.0 HB3 GLU 41 - HE2 LYS 39 far 0 66 0 - 9.0-11.8 HB3 GLU 41 - HE3 LYS 39 far 0 56 0 - 9.1-11.4 HB3 GLU 41 - HE3 LYS 43 far 0 85 0 - 9.4-11.2 HB2 LEU 70 - HE2 LYS 40 far 0 99 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (1.38, 2.97, 41.78 ppm; 3.04 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-4.0 3.9=46, 1.8/3733=39...(61) HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 100 2.0-4.0 3.9=46, 1.8/3733=39...(58) HG3 LYS 43 + HE3 LYS 43 OK 76 77 100 98 2.3-3.8 3.9=47, 1.8/3849=21...(76) HG3 LYS 43 + HE2 LYS 43 OK 54 54 100 99 2.1-3.7 3.9=47, 1.8/3849=21...(83) HG2 LYS 94 - HE2 LYS 106 poor 16 52 30 - 3.5-7.1 HG2 LYS 94 - HE3 LYS 106 poor 14 57 25 - 4.0-7.2 HG2 LYS 40 - HE2 LYS 39 poor 14 68 20 - 2.8-8.4 HG3 LYS 43 - HE3 LYS 39 poor 12 49 25 - 2.0-8.0 HG3 LYS 43 - HE2 LYS 39 poor 12 59 20 - 3.0-8.5 HG2 LYS 40 - HE3 LYS 39 poor 11 57 20 - 3.1-9.6 HG3 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.7-8.1 HG3 LYS 16 - HE3 LYS 20 far 0 69 0 - 5.7-12.6 HG3 LYS 43 - HE3 LYS 40 far 0 94 0 - 5.8-8.7 HG3 LYS 16 - HE2 LYS 20 far 0 69 0 - 5.9-12.8 HG2 LYS 40 - HE2 LYS 43 far 0 63 0 - 6.0-10.0 HG2 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.4-10.0 HG3 LYS 43 - HE3 LYS 73 far 0 69 0 - 7.1-11.7 HB3 LEU 114 - HE3 LYS 20 far 0 65 0 - 7.9-13.9 HB3 LEU 68 - HE3 LYS 73 far 0 78 0 - 8.2-13.4 HB3 LEU 114 - HE2 LYS 20 far 0 65 0 - 8.4-13.0 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (1.62, 2.97, 41.78 ppm; 2.71 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 40 + HE3 LYS 40 OK 98 100 100 98 2.1-4.0 3.9=33, 3695/3.0=23...(65) HG3 LYS 40 + HE2 LYS 40 OK 98 100 100 98 2.1-3.7 3.9=33, 3695/3.0=23...(62) HG3 LYS 40 - HE2 LYS 39 poor 14 68 20 - 2.2-7.0 HG LEU 90 - HE2 LYS 106 poor 13 31 40 - 2.0-7.9 HG LEU 90 - HE3 LYS 106 poor 12 35 35 - 2.8-7.2 HG3 LYS 40 - HE3 LYS 39 poor 11 57 20 - 2.1-8.3 HG2 LYS 16 - HE3 LYS 20 far 0 96 0 - 4.4-12.8 HG3 LYS 40 - HE3 LYS 43 far 0 87 0 - 4.7-9.9 HG2 LYS 16 - HE2 LYS 20 far 0 96 0 - 5.3-12.9 HG3 LYS 40 - HE2 LYS 43 far 0 63 0 - 5.3-9.6 HB2 LEU 82 - HE3 LYS 106 far 0 68 0 - 5.5-11.7 HB2 LEU 82 - HE2 LYS 106 far 0 63 0 - 6.1-11.0 HG LEU 63 - HE2 LYS 39 far 0 68 0 - 8.0-13.7 HG LEU 63 - HE3 LYS 39 far 0 57 0 - 8.2-13.7 HB ILE 116 - HE3 LYS 106 far 0 57 0 - 9.2-13.1 HB ILE 116 - HE2 LYS 106 far 0 52 0 - 9.2-12.6 Violated in 7 structures by 0.02 A. Peak 3734 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 15 out of 59 assignments used, quality = 1.00: HD3 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) * HD2 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 20 + HE2 LYS 20 OK 90 98 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 90 98 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE2 LYS 20 OK 89 98 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 89 98 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD3 LYS 43 + HE3 LYS 43 OK 75 86 100 87 2.5-3.0 3.0=52, 3847/3.9=11...(42) HD2 LYS 43 + HE3 LYS 43 OK 75 86 100 87 2.3-3.0 3.0=52, 3846/3.9=10...(42) HD3 LYS 73 + HE3 LYS 73 OK 70 78 100 90 2.5-3.0 2.9=56, 5187/3.8=12...(38) HD2 LYS 73 + HE3 LYS 73 OK 69 77 100 90 2.3-3.0 2.9=56, 5187/3.8=12...(38) HD3 LYS 43 + HE2 LYS 43 OK 55 62 100 88 2.3-3.0 3.0=52, 3847/3.9=11...(44) HD2 LYS 43 + HE2 LYS 43 OK 55 62 100 88 2.5-3.0 3.0=52, 3846/3.9=10...(44) HG3 LYS 39 + HE2 LYS 39 OK 26 40 80 81 2.5-4.2 3.6=30, ~3642=12...(39) HG3 LYS 39 - HE3 LYS 39 poor 17 33 65 81 2.1-4.2 3.6=30, ~3642=11...(39) HD3 LYS 40 - HE2 LYS 39 poor 17 68 25 - 2.7-7.3 HD3 LYS 40 - HE3 LYS 39 poor 11 57 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 9 57 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 7 68 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 3 57 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 3 56 5 - 3.2-10.9 HG3 LYS 39 - HE3 LYS 40 far 0 70 0 - 3.9-9.0 HG3 LYS 39 - HE2 LYS 40 far 0 69 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 78 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 87 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 67 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 63 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 87 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 36 0 - 5.0-9.1 HD3 LYS 43 - HE2 LYS 39 far 0 68 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 54 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 96 0 - 5.3-13.1 HD2 LYS 16 - HE2 LYS 20 far 0 99 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 63 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 99 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 86 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 77 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 61 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 61 0 - 6.1-10.7 HD3 LYS 73 - HE2 LYS 43 far 0 62 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 99 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 96 0 - 6.5-13.3 HG3 ARG 95 - HE3 LYS 106 far 0 64 0 - 6.6-12.5 HD2 LYS 43 - HE3 LYS 40 far 0 100 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 86 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 62 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 100 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 62 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 100 0 - 7.3-11.3 HG3 ARG 95 - HE2 LYS 106 far 0 59 0 - 7.4-12.8 HD2 LYS 17 - HE3 LYS 20 far 0 100 0 - 7.4-11.5 HD2 LYS 44 - HE2 LYS 43 far 0 31 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 28 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 100 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 35 0 - 8.4-14.2 HD2 LYS 44 - HE3 LYS 43 far 0 47 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 48 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 57 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3735 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 15 out of 53 assignments used, quality = 1.00: * HD3 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.6-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE3 LYS 40 OK 92 100 100 92 2.2-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD2 LYS 40 + HE2 LYS 40 OK 92 100 100 92 2.3-3.0 3.0=53, 2.9/3733=17...(37) HD3 LYS 20 + HE2 LYS 20 OK 89 98 100 92 2.3-3.0 3.0=52, 3.0/3071=12...(47) HD3 LYS 20 + HE3 LYS 20 OK 89 98 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE2 LYS 20 OK 88 96 100 92 2.4-3.0 3.0=52, 3.0/3071=12...(47) HD2 LYS 20 + HE3 LYS 20 OK 88 96 100 92 2.3-3.0 3.0=52, 3.0/3070=12...(47) HD2 LYS 43 + HE3 LYS 43 OK 76 86 100 87 2.3-3.0 3.0=52, 3846/3.9=11...(42) HD3 LYS 43 + HE3 LYS 43 OK 75 86 100 87 2.5-3.0 3.0=52, 3847/3.9=10...(42) HD3 LYS 73 + HE3 LYS 73 OK 69 77 100 90 2.5-3.0 2.9=56, 5187/3.8=12...(38) HD2 LYS 73 + HE3 LYS 73 OK 69 76 100 90 2.3-3.0 2.9=56, 5187/3.8=12...(38) HD2 LYS 43 + HE2 LYS 43 OK 55 62 100 88 2.5-3.0 3.0=52, 3846/3.9=11...(44) HD3 LYS 43 + HE2 LYS 43 OK 54 62 100 88 2.3-3.0 3.0=52, 3847/3.9=10...(44) HG3 LYS 39 + HE2 LYS 39 OK 24 37 80 81 2.5-4.2 3.6=30, ~3642=12...(39) HG3 LYS 39 - HE3 LYS 39 poor 20 31 65 - 2.1-4.2 HD3 LYS 40 - HE2 LYS 39 poor 17 68 25 - 2.7-7.3 HD3 LYS 40 - HE3 LYS 39 poor 11 57 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 9 57 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 7 68 10 - 2.0-8.3 HD2 LYS 43 - HE3 LYS 39 far 3 57 5 - 3.2-10.9 HD3 LYS 43 - HE3 LYS 39 far 3 56 5 - 3.9-10.6 HG3 LYS 39 - HE3 LYS 40 far 0 65 0 - 3.9-9.0 HG3 LYS 39 - HE2 LYS 40 far 0 65 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 77 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 87 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 68 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 63 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 87 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 34 0 - 5.0-9.1 HD3 LYS 43 - HE2 LYS 39 far 0 67 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 50 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 95 0 - 5.3-13.1 HD2 LYS 16 - HE2 LYS 20 far 0 98 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 63 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 98 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 86 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 78 0 - 5.7-11.1 HD3 LYS 73 - HE2 LYS 43 far 0 62 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 100 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 95 0 - 6.5-13.3 HG3 ARG 95 - HE3 LYS 106 far 0 65 0 - 6.6-12.5 HD2 LYS 43 - HE3 LYS 40 far 0 100 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 85 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 61 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 99 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 59 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 100 0 - 7.3-11.3 HG3 ARG 95 - HE2 LYS 106 far 0 60 0 - 7.4-12.8 HD2 LYS 17 - HE3 LYS 20 far 0 100 0 - 7.4-11.5 HD3 LYS 43 - HE3 LYS 40 far 0 100 0 - 8.3-11.3 HG12 ILE 71 - HE2 LYS 43 far 0 46 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 56 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3736 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 11 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): 11 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 100 100 100 100 2.7-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 8 assignments used, quality = 1.00: * HB2 GLU 41 + HA GLU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 41 + HA GLU 41 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 LYS 40 + HA GLU 41 OK 81 99 100 82 4.6-4.9 7483/3.0=46, ~230=38...(6) HB3 MET 42 - HA GLU 41 far 0 100 0 - 5.8-6.6 HB3 LYS 39 - HA GLU 41 far 0 100 0 - 7.0-7.9 HB2 LYS 39 - HA GLU 41 far 0 73 0 - 7.1-8.4 HB2 LEU 70 - HA GLU 41 far 0 96 0 - 8.0-9.2 HB3 GLU 52 - HA GLU 41 far 0 100 0 - 8.2-15.7 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (1.95, 4.26, 58.07 ppm; 3.65 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLU 41 + HA GLU 41 OK 100 100 100 100 2.5-2.8 3.0=100 HB2 GLU 41 + HA GLU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 40 + HA GLU 41 OK 82 99 100 82 4.6-4.9 7483/3.0=47, ~230=38...(6) HB3 MET 42 - HA GLU 41 far 0 100 0 - 5.8-6.6 HB3 LYS 39 - HA GLU 41 far 0 100 0 - 7.0-7.9 HB2 LYS 39 - HA GLU 41 far 0 77 0 - 7.1-8.4 HB2 LEU 70 - HA GLU 41 far 0 97 0 - 8.0-9.2 HB3 GLU 52 - HA GLU 41 far 0 100 0 - 8.2-15.7 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (2.13, 4.26, 58.07 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 41 + HA GLU 41 OK 100 100 100 100 2.1-4.2 4.2=100 HB2 LEU 38 - HA GLU 41 far 0 61 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (2.46, 4.26, 58.07 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 41 + HA GLU 41 OK 100 100 100 100 2.1-3.7 4.2=100 HG2 GLU 37 - HA GLU 41 far 3 70 5 - 5.0-8.6 HB3 ASP 31 - HA GLU 41 far 0 94 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.4 4.0=100 H GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 3745 from cnoeabs.peaks (4.26, 1.95, 28.25 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.5-2.8 3.0=100 HA VAL 32 - HB3 GLU 41 far 0 77 0 - 6.0-8.1 HA VAL 32 - HB2 GLU 41 far 0 77 0 - 6.0-7.8 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * HG2 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.3-2.9 3.0=100 HG2 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 38 + HB2 GLU 41 OK 44 61 95 76 4.4-5.9 2.9/8050=24, ~9404=16...(12) HB2 LEU 38 - HB3 GLU 41 far 3 61 5 - 4.6-6.3 Violated in 0 structures by 0.00 A. Peak 3749 from cnoeabs.peaks (2.46, 1.95, 28.25 ppm; 4.05 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 37 - HB2 GLU 41 far 3 70 5 - 3.9-8.6 HG2 GLU 37 - HB3 GLU 41 far 3 69 5 - 4.7-9.4 HB3 ASP 31 - HB3 GLU 41 far 0 94 0 - 9.2-11.7 HB2 ASP 31 - HB3 GLU 41 far 0 95 0 - 9.2-11.5 HB2 ASP 31 - HB2 GLU 41 far 0 96 0 - 9.2-11.6 HB3 ASP 31 - HB2 GLU 41 far 0 94 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 4.0=100 H GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.2-3.4 4.0=100 Violated in 0 structures by 0.00 A. Peak 3751 from cnoeabs.peaks (4.26, 1.95, 28.25 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.5-2.8 3.0=100 HA GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 32 - HB3 GLU 41 far 0 77 0 - 6.0-8.1 HA VAL 32 - HB2 GLU 41 far 0 77 0 - 6.0-7.8 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * HG2 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 38 + HB2 GLU 41 OK 44 61 95 76 4.4-5.9 2.9/8050=24, ~9404=16...(12) HB2 LEU 38 - HB3 GLU 41 far 3 61 5 - 4.6-6.3 Violated in 0 structures by 0.00 A. Peak 3755 from cnoeabs.peaks (2.46, 1.95, 28.25 ppm; 4.05 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 37 - HB3 GLU 41 far 3 70 5 - 4.7-9.4 HG2 GLU 37 - HB2 GLU 41 far 3 69 5 - 3.9-8.6 HB3 ASP 31 - HB3 GLU 41 far 0 94 0 - 9.2-11.7 HB2 ASP 31 - HB3 GLU 41 far 0 96 0 - 9.2-11.5 HB2 ASP 31 - HB2 GLU 41 far 0 95 0 - 9.2-11.6 HB3 ASP 31 - HB2 GLU 41 far 0 94 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (8.72, 2.13, 34.90 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.3-4.2 1263=100, 1264/1.8=98...(7) Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (4.26, 2.13, 34.90 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.1-4.2 4.2=100 HA VAL 32 + HG2 GLU 41 OK 72 77 95 99 4.4-6.5 3.2/9399=85, 3.2/9300=79...(5) Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (1.95, 2.13, 34.90 ppm; 3.59 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 MET 42 - HG2 GLU 41 far 5 100 5 - 4.8-7.9 HB3 LYS 40 - HG2 GLU 41 far 0 99 0 - 5.3-7.9 HB2 LYS 39 - HG2 GLU 41 far 0 73 0 - 6.6-9.1 HB2 LEU 70 - HG2 GLU 41 far 0 96 0 - 6.9-10.4 HB3 LYS 39 - HG2 GLU 41 far 0 100 0 - 7.0-9.3 HB3 GLU 52 - HG2 GLU 41 far 0 100 0 - 9.1-17.5 Violated in 0 structures by 0.00 A. Peak 3759 from cnoeabs.peaks (1.95, 2.13, 34.90 ppm; 3.59 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 MET 42 - HG2 GLU 41 far 5 100 5 - 4.8-7.9 HB3 LYS 40 - HG2 GLU 41 far 0 99 0 - 5.3-7.9 HB2 LYS 39 - HG2 GLU 41 far 0 77 0 - 6.6-9.1 HB2 LEU 70 - HG2 GLU 41 far 0 97 0 - 6.9-10.4 HB3 LYS 39 - HG2 GLU 41 far 0 100 0 - 7.0-9.3 HB3 GLU 52 - HG2 GLU 41 far 0 100 0 - 9.1-17.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 GLU 41 + HG2 GLU 41 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 37 - HG2 GLU 41 far 3 70 5 - 2.6-8.0 HB3 ASP 31 - HG2 GLU 41 far 0 94 0 - 7.0-10.3 HB2 ASP 31 - HG2 GLU 41 far 0 96 0 - 7.1-9.8 Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (8.72, 2.46, 34.90 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.8-3.6 1264=100, 1263/1.8=97...(8) Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (4.26, 2.46, 34.90 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.1-3.7 4.2=100 HA VAL 32 + HG3 GLU 41 OK 71 77 95 97 4.3-8.0 ~9399=61, ~9300=57...(9) Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (1.95, 2.46, 34.90 ppm; 3.71 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 MET 42 - HG3 GLU 41 far 5 100 5 - 3.2-8.1 HB2 LEU 70 - HG3 GLU 41 far 0 96 0 - 5.6-10.5 HB3 LYS 40 - HG3 GLU 41 far 0 99 0 - 5.8-7.3 HB2 LYS 39 - HG3 GLU 41 far 0 73 0 - 6.7-9.2 HB3 LYS 39 - HG3 GLU 41 far 0 100 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 3765 from cnoeabs.peaks (1.95, 2.46, 34.90 ppm; 3.71 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 MET 42 - HG3 GLU 41 far 5 100 5 - 3.2-8.1 HB2 LEU 70 - HG3 GLU 41 far 0 97 0 - 5.6-10.5 HB3 LYS 40 - HG3 GLU 41 far 0 99 0 - 5.8-7.3 HB2 LYS 39 - HG3 GLU 41 far 0 77 0 - 6.7-9.2 HB3 LYS 39 - HG3 GLU 41 far 0 100 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (2.13, 2.46, 34.90 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 41 + HG3 GLU 41 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 38 - HG3 GLU 41 poor 12 61 20 - 4.3-7.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H MET 42 + HA MET 42 OK 100 100 100 100 2.9-2.9 3.0=100 H ILE 5 - HA MET 42 far 0 81 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 MET 42 + HA MET 42 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 MET 67 - HA MET 42 poor 17 87 25 79 5.7-7.7 3805/3804=32...(8) HG2 GLU 48 - HA MET 42 far 0 90 0 - 8.4-12.6 HG3 GLU 66 - HA MET 42 far 0 99 0 - 8.9-11.9 HB2 GLU 69 - HA MET 42 far 0 92 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (1.95, 4.38, 57.05 ppm; 4.15 A): 4 out of 8 assignments used, quality = 1.00: * HB3 MET 42 + HA MET 42 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LEU 70 + HA MET 42 OK 86 96 100 90 4.2-5.1 3778/3.0=33, ~5043=23...(16) HB3 GLU 41 + HA MET 42 OK 86 100 100 86 4.0-5.5 241/3.0=24, ~7493=20...(12) HB2 GLU 41 + HA MET 42 OK 82 100 100 82 4.6-5.1 240/3.0=24, ~7493=20...(10) HB3 GLU 52 - HA MET 42 far 0 100 0 - 6.4-15.1 HB3 LYS 40 - HA MET 42 far 0 99 0 - 7.3-7.5 HB3 LYS 39 - HA MET 42 far 0 100 0 - 8.2-8.8 HB2 LYS 39 - HA MET 42 far 0 73 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (2.66, 4.38, 57.05 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 42 + HA MET 42 OK 100 100 100 100 2.8-4.2 3.9=100 HB2 TYR 76 - HA MET 42 far 0 96 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 3773 from cnoeabs.peaks (2.76, 4.38, 57.05 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 42 + HA MET 42 OK 100 100 100 100 2.7-3.9 3.9=100 HE2 LYS 2 - HA MET 42 far 0 100 0 - 6.7-12.3 Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (1.87, 4.38, 57.05 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * QE MET 42 + HA MET 42 OK 100 100 100 100 1.8-3.6 3804=100, 3803/3.0=44...(13) HG LEU 45 + HA MET 42 OK 72 73 100 98 2.6-4.4 2.1/9435=55, 3.0/8079=46...(13) QE MET 67 - HA MET 42 far 0 81 0 - 5.5-7.2 HG LEU 70 - HA MET 42 far 0 65 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (8.78, 2.19, 31.25 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * H MET 42 + HB2 MET 42 OK 100 100 100 100 3.2-3.7 3.9=100 H ILE 5 - HB2 MET 42 far 0 81 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3776 from cnoeabs.peaks (4.38, 2.19, 31.25 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 42 + HB2 MET 42 OK 100 100 100 100 2.3-2.5 3.0=100 HA SER 72 - HB2 MET 42 far 0 65 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 1.00: * HB3 MET 42 + HB2 MET 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 70 + HB2 MET 42 OK 92 96 100 97 1.9-3.0 ~5043=27, 3.1/11365=22...(23) HB3 GLU 41 - HB2 MET 42 poor 20 100 20 - 4.5-6.7 HB2 GLU 41 - HB2 MET 42 far 5 100 5 - 5.0-6.8 HB3 LYS 39 - HB2 MET 42 far 0 100 0 - 7.8-9.1 HB3 GLU 52 - HB2 MET 42 far 0 100 0 - 8.1-16.9 HB2 LYS 39 - HB2 MET 42 far 0 73 0 - 8.2-9.4 HB3 LYS 40 - HB2 MET 42 far 0 99 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (2.66, 2.19, 31.25 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 42 + HB2 MET 42 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 76 - HB2 MET 42 far 10 96 10 - 6.2-8.7 Violated in 0 structures by 0.00 A. Peak 3780 from cnoeabs.peaks (2.76, 2.19, 31.25 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 42 + HB2 MET 42 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 2 - HB2 MET 42 far 0 100 0 - 7.8-13.2 Violated in 0 structures by 0.00 A. Peak 3781 from cnoeabs.peaks (1.87, 2.19, 31.25 ppm; 4.42 A): 3 out of 4 assignments used, quality = 1.00: * QE MET 42 + HB2 MET 42 OK 100 100 100 100 1.7-4.1 4.2=100 HG LEU 45 + HB2 MET 42 OK 68 73 95 98 4.6-6.4 2.1/9418=42, ~9435=41...(11) HG LEU 70 + HB2 MET 42 OK 65 65 100 100 4.4-5.3 ~11368=46, ~11369=45...(19) QE MET 67 - HB2 MET 42 poor 16 81 35 55 5.4-6.9 3802/3.0=17, 3795/3.0=17...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.5 3.9=100 Violated in 0 structures by 0.00 A. Peak 3783 from cnoeabs.peaks (4.38, 1.95, 31.25 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 42 + HB3 MET 42 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 72 - HB3 MET 42 far 0 65 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 3784 from cnoeabs.peaks (2.19, 1.95, 31.25 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 42 + HB3 MET 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 67 - HB3 MET 42 poor 16 87 25 74 4.7-8.3 3.0/8139=24, 3791/3.0=20...(10) HG3 GLU 66 - HB3 MET 42 far 0 99 0 - 6.8-9.8 HB2 GLU 69 - HB3 MET 42 far 0 92 0 - 7.0-9.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 MET 42 + HB3 MET 42 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 TYR 76 - HB3 MET 42 far 0 96 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 3787 from cnoeabs.peaks (2.76, 1.95, 31.25 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 42 + HB3 MET 42 OK 100 100 100 100 2.3-2.6 3.0=100 HE2 LYS 2 - HB3 MET 42 far 0 100 0 - 9.2-14.5 Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (1.87, 1.95, 31.25 ppm; 4.30 A): 4 out of 4 assignments used, quality = 1.00: * QE MET 42 + HB3 MET 42 OK 100 100 100 100 3.1-4.1 4.2=100 HG LEU 70 + HB3 MET 42 OK 65 65 100 100 3.9-5.2 ~11368=43, 2.1/5057=42...(22) HG LEU 45 + HB3 MET 42 OK 57 73 80 97 5.1-7.0 ~9435=39, ~9418=32...(11) QE MET 67 + HB3 MET 42 OK 27 81 60 57 5.4-7.8 4949/8139=19...(7) Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (8.78, 2.66, 32.47 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * H MET 42 + HG2 MET 42 OK 100 100 100 100 2.0-3.7 1269=100, 1270/1.8=97...(17) H ILE 5 - HG2 MET 42 far 0 81 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (4.38, 2.66, 32.47 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 42 + HG2 MET 42 OK 100 100 100 100 2.8-4.2 3.9=100 HA SER 72 - HG2 MET 42 far 0 65 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (2.19, 2.66, 32.47 ppm; 4.46 A): 2 out of 5 assignments used, quality = 1.00: * HB2 MET 42 + HG2 MET 42 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 MET 67 + HG2 MET 42 OK 80 87 95 96 2.6-7.7 3798/1.8=34, 3805/3.3=31...(18) HG3 GLU 66 - HG2 MET 42 far 0 99 0 - 6.1-8.7 HB2 GLU 69 - HG2 MET 42 far 0 92 0 - 6.2-8.4 HB3 GLU 37 - HG2 MET 42 far 0 73 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (1.95, 2.66, 32.47 ppm; 4.53 A): 4 out of 10 assignments used, quality = 1.00: * HB3 MET 42 + HG2 MET 42 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 LEU 70 + HG2 MET 42 OK 95 96 100 100 1.9-5.0 3.1/11368=77, ~11369=50...(24) HB3 GLU 41 + HG2 MET 42 OK 79 100 100 79 3.1-5.7 4.7/1269=56, 3799/1.8=18...(6) HB2 GLU 41 + HG2 MET 42 OK 78 100 100 78 3.3-6.0 4.7/1269=56, 3799/1.8=18...(6) HB2 LYS 39 - HG2 MET 42 far 0 73 0 - 6.4-8.4 HB3 LYS 39 - HG2 MET 42 far 0 100 0 - 6.4-8.2 HB3 LYS 40 - HG2 MET 42 far 0 99 0 - 7.6-9.5 HB2 LYS 65 - HG2 MET 42 far 0 73 0 - 9.1-11.1 HB3 LYS 65 - HG2 MET 42 far 0 70 0 - 9.5-10.8 HB3 GLU 52 - HG2 MET 42 far 0 100 0 - 9.8-18.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 MET 42 + HG2 MET 42 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 2 - HG2 MET 42 far 0 100 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 3795 from cnoeabs.peaks (1.87, 2.66, 32.47 ppm; 4.53 A): 3 out of 5 assignments used, quality = 1.00: * QE MET 42 + HG2 MET 42 OK 100 100 100 100 2.0-3.4 3.3=100 QE MET 67 + HG2 MET 42 OK 61 81 95 79 3.3-6.9 ~9427=28, 9723/10992=24...(9) HG LEU 70 + HG2 MET 42 OK 59 65 90 100 3.9-6.3 2.1/11368=91, ~11369=63...(22) HG LEU 45 - HG2 MET 42 far 11 73 15 - 5.8-7.8 HB2 LEU 63 - HG2 MET 42 far 0 99 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (8.78, 2.76, 32.47 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H MET 42 + HG3 MET 42 OK 100 100 100 100 1.8-3.8 1270=100, 1269/1.8=99...(18) H ILE 5 - HG3 MET 42 far 0 81 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 3797 from cnoeabs.peaks (4.38, 2.76, 32.47 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 42 + HG3 MET 42 OK 100 100 100 100 2.7-3.9 3.9=100 HA SER 72 - HG3 MET 42 far 0 65 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 3798 from cnoeabs.peaks (2.19, 2.76, 32.47 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * HB2 MET 42 + HG3 MET 42 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 MET 67 + HG3 MET 42 OK 80 87 95 96 2.8-8.1 3791/1.8=35, 3805/3.3=31...(19) HG3 GLU 66 - HG3 MET 42 far 5 99 5 - 5.7-9.1 HB2 GLU 69 - HG3 MET 42 far 0 92 0 - 6.0-10.0 HB3 GLU 37 - HG3 MET 42 far 0 73 0 - 8.6-11.6 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (1.95, 2.76, 32.47 ppm; 4.26 A): 4 out of 10 assignments used, quality = 1.00: * HB3 MET 42 + HG3 MET 42 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LEU 70 + HG3 MET 42 OK 95 96 100 100 2.6-5.1 3.1/11369=57, ~11368=45...(25) HB3 GLU 41 + HG3 MET 42 OK 72 100 100 72 2.9-5.3 4.7/1270=48, 3792/1.8=16...(6) HB2 GLU 41 + HG3 MET 42 OK 72 100 100 72 3.1-5.2 4.7/1270=48, 3792/1.8=16...(6) HB3 LYS 39 - HG3 MET 42 far 0 100 0 - 5.8-8.9 HB2 LYS 39 - HG3 MET 42 far 0 73 0 - 6.3-8.7 HB3 LYS 40 - HG3 MET 42 far 0 99 0 - 6.6-9.7 HB2 LYS 65 - HG3 MET 42 far 0 73 0 - 9.3-11.6 HB3 LYS 65 - HG3 MET 42 far 0 70 0 - 9.4-12.1 HB3 GLU 52 - HG3 MET 42 far 0 100 0 - 9.5-18.5 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (2.66, 2.76, 32.47 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 42 + HG3 MET 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 76 - HG3 MET 42 far 0 96 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * QE MET 42 + HG3 MET 42 OK 100 100 100 100 2.2-3.4 3.3=100 QE MET 67 + HG3 MET 42 OK 60 81 95 78 3.4-6.7 ~9427=26, 9723/10993=23...(10) HG LEU 70 + HG3 MET 42 OK 59 65 90 100 3.9-6.2 2.1/11369=73, ~11368=63...(23) HG LEU 45 - HG3 MET 42 poor 15 73 20 - 5.5-8.2 HB2 LEU 63 - HG3 MET 42 far 0 99 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (8.78, 1.87, 17.86 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * H MET 42 + QE MET 42 OK 100 100 100 100 2.6-4.0 3.0/3804=82, 1269/3.3=77...(15) H ILE 5 - QE MET 42 poor 16 81 20 - 5.8-8.3 H ASN 59 - QE MET 42 far 0 77 0 - 9.0-11.9 H VAL 29 - QE MET 42 far 0 100 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 3804 from cnoeabs.peaks (4.38, 1.87, 17.86 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.93: * HA MET 42 + QE MET 42 OK 93 100 100 93 1.8-3.6 3774=49, 3.0/3803=39...(13) HA SER 72 - QE MET 42 far 0 65 0 - 6.8-8.6 Violated in 1 structures by 0.00 A. Peak 3805 from cnoeabs.peaks (2.19, 1.87, 17.86 ppm; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * HB2 MET 42 + QE MET 42 OK 98 100 100 98 1.7-4.1 4.2=78, 3.0/3804=64...(12) HB2 MET 67 + QE MET 42 OK 83 87 100 95 2.6-5.2 3.0/9427=52, 3.0/9424=44...(16) HB2 GLU 69 - QE MET 42 far 0 92 0 - 6.8-9.0 HG3 GLU 66 - QE MET 42 far 0 99 0 - 6.9-9.9 HB3 GLU 37 - QE MET 42 far 0 73 0 - 7.0-10.5 HG2 GLU 48 - QE MET 42 far 0 90 0 - 8.3-12.3 HG3 GLN 28 - QE MET 42 far 0 90 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 3806 from cnoeabs.peaks (1.95, 1.87, 17.86 ppm; 5.05 A): 4 out of 11 assignments used, quality = 1.00: * HB3 MET 42 + QE MET 42 OK 100 100 100 100 3.1-4.1 4.2=100 HB2 LEU 70 + QE MET 42 OK 95 96 100 100 2.3-5.3 3.1/9430=59...(20) HB3 GLU 41 + QE MET 42 OK 86 100 100 86 1.8-5.1 4.7/3803=56...(12) HB2 GLU 41 + QE MET 42 OK 82 100 100 82 2.7-5.3 4.7/3803=56...(8) HB3 GLU 52 - QE MET 42 far 5 100 5 - 5.6-13.8 HB3 LYS 40 - QE MET 42 far 0 99 0 - 7.2-8.4 HB3 LYS 39 - QE MET 42 far 0 100 0 - 7.4-9.0 HB2 LYS 39 - QE MET 42 far 0 73 0 - 7.4-9.2 HB2 LYS 65 - QE MET 42 far 0 73 0 - 8.1-10.6 HB3 LYS 65 - QE MET 42 far 0 70 0 - 8.4-10.9 HB VAL 29 - QE MET 42 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3807 from cnoeabs.peaks (2.66, 1.87, 17.86 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 42 + QE MET 42 OK 100 100 100 100 2.0-3.4 3.3=100 HB2 TYR 76 - QE MET 42 poor 19 96 35 58 4.6-7.9 10732/10736=26...(6) HB2 TYR 27 - QE MET 42 far 0 97 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3808 from cnoeabs.peaks (2.76, 1.87, 17.86 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 42 + QE MET 42 OK 100 100 100 100 2.2-3.4 3.3=100 HE2 LYS 2 - QE MET 42 far 0 100 0 - 5.6-11.6 HB3 TYR 102 - QE MET 42 far 0 92 0 - 8.0-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3811 from cnoeabs.peaks (4.09, 4.09, 59.39 ppm; diagonal): 2 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 11 assignments used, quality = 1.00: * HB2 LYS 43 + HA LYS 43 OK 100 100 100 100 3.0-3.0 3.0=90, 3.0/3814=41...(22) HB3 LYS 43 + HA LYS 43 OK 98 98 100 100 2.5-2.6 3.0=90, 3.0/3814=41...(22) HB2 LEU 45 - HA LYS 43 far 0 100 0 - 4.7-5.3 HB2 ARG 95 - HA GLU 91 far 0 26 0 - 4.8-6.8 HB2 LYS 44 - HA LYS 43 far 0 99 0 - 5.4-6.6 HB3 LYS 44 - HA LYS 43 far 0 100 0 - 5.4-6.6 HB2 LYS 73 - HA LYS 43 far 0 87 0 - 7.1-11.4 HB2 LYS 96 - HA GLU 91 far 0 30 0 - 8.0-9.7 HB3 LYS 73 - HA LYS 43 far 0 84 0 - 8.2-11.0 HB ILE 71 - HA LYS 43 far 0 90 0 - 9.1-11.4 HB2 LYS 49 - HA LYS 43 far 0 96 0 - 9.1-13.7 Violated in 0 structures by 0.00 A. Peak 3813 from cnoeabs.peaks (1.90, 4.09, 59.39 ppm; 2.91 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 43 + HA LYS 43 OK 100 100 100 100 2.5-2.6 3.0=90, 3.0/3814=41...(22) HB2 LYS 43 + HA LYS 43 OK 98 98 100 100 3.0-3.0 3.0=90, 3.0/3814=41...(22) HB2 LEU 45 - HA LYS 43 far 0 100 0 - 4.7-5.3 HG LEU 45 - HA LYS 43 far 0 61 0 - 4.7-6.0 HB2 ARG 95 - HA GLU 91 far 0 31 0 - 4.8-6.8 HB2 LYS 44 - HA LYS 43 far 0 92 0 - 5.4-6.6 HB3 LYS 44 - HA LYS 43 far 0 99 0 - 5.4-6.6 HB2 LYS 73 - HA LYS 43 far 0 98 0 - 7.1-11.4 HB2 LYS 96 - HA GLU 91 far 0 32 0 - 8.0-9.7 HB3 LYS 73 - HA LYS 43 far 0 97 0 - 8.2-11.0 HB ILE 71 - HA LYS 43 far 0 99 0 - 9.1-11.4 HB2 LYS 49 - HA LYS 43 far 0 100 0 - 9.1-13.7 Violated in 0 structures by 0.00 A. Peak 3814 from cnoeabs.peaks (1.51, 4.09, 59.39 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.99: * HG2 LYS 43 + HA LYS 43 OK 99 100 100 99 2.4-3.1 3841=64, 1.8/3815=45...(43) HG LEU 38 - HA LYS 43 far 0 96 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (1.37, 4.09, 59.39 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 43 + HA LYS 43 OK 100 100 100 100 3.5-3.8 1.8/3814=84, 3.9=79...(54) HG2 LYS 94 + HA GLU 91 OK 28 32 100 89 1.8-4.8 3.0/8194=30, 3851=29...(12) HG2 LYS 40 - HA LYS 43 far 0 94 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 3816 from cnoeabs.peaks (1.68, 4.09, 59.39 ppm; 3.41 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 43 + HA LYS 43 OK 99 100 100 99 2.0-3.8 2.9/3814=57, 2.9/3815=39...(69) HD3 LYS 43 + HA LYS 43 OK 98 99 100 99 2.5-4.2 2.9/3814=57, 2.9/3815=39...(64) HG3 ARG 95 - HA GLU 91 poor 13 31 40 - 4.7-7.8 HD2 LYS 40 - HA LYS 43 far 0 100 0 - 5.8-8.6 HD3 LYS 40 - HA LYS 43 far 0 100 0 - 5.8-9.0 HD3 LYS 73 - HA LYS 43 far 0 99 0 - 7.2-10.7 HD2 LYS 73 - HA LYS 43 far 0 98 0 - 7.3-11.2 HD2 LYS 96 - HA GLU 91 far 0 32 0 - 7.4-9.6 HD3 LYS 96 - HA GLU 91 far 0 31 0 - 7.4-8.6 HG12 ILE 71 - HA LYS 43 far 0 77 0 - 8.1-10.8 Violated in 1 structures by 0.01 A. Peak 3817 from cnoeabs.peaks (1.68, 4.09, 59.39 ppm; 3.41 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 43 + HA LYS 43 OK 99 100 100 99 2.5-4.2 2.9/3814=57, 2.9/3815=39...(64) HD2 LYS 43 + HA LYS 43 OK 98 99 100 99 2.0-3.8 2.9/3814=57, 2.9/3815=39...(69) HG3 ARG 95 - HA GLU 91 poor 11 28 40 - 4.7-7.8 HD2 LYS 40 - HA LYS 43 far 0 100 0 - 5.8-8.6 HD3 LYS 40 - HA LYS 43 far 0 100 0 - 5.8-9.0 HD3 LYS 44 - HA LYS 43 far 0 61 0 - 6.7-8.4 HD2 LYS 44 - HA LYS 43 far 0 70 0 - 7.0-8.4 HD3 LYS 73 - HA LYS 43 far 0 100 0 - 7.2-10.7 HD2 LYS 73 - HA LYS 43 far 0 100 0 - 7.3-11.2 HD2 LYS 96 - HA GLU 91 far 0 31 0 - 7.4-9.6 HD3 LYS 96 - HA GLU 91 far 0 32 0 - 7.4-8.6 HG3 LYS 39 - HA LYS 43 far 0 77 0 - 7.9-9.7 HG12 ILE 71 - HA LYS 43 far 0 92 0 - 8.1-10.8 Violated in 1 structures by 0.01 A. Peak 3820 from cnoeabs.peaks (7.50, 1.91, 31.96 ppm; 3.23 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 43 + HB2 LYS 43 OK 99 100 100 99 2.2-2.5 4.0=53, 1276/3.0=41...(21) H LYS 43 + HB3 LYS 43 OK 95 96 100 99 3.5-3.6 4.0=53, 1274/1.8=41...(19) H LYS 43 + HB2 LYS 44 OK 38 94 70 58 4.2-6.0 1888/4.0=39, 2057/4.7=16...(4) H LYS 43 - HB3 LYS 44 poor 16 97 30 54 4.4-6.0 1888/4.0=39, 2057/4.7=16 H LYS 43 - HB2 LYS 73 far 0 57 0 - 8.5-12.3 H LYS 43 - HB3 LYS 73 far 0 52 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 3821 from cnoeabs.peaks (4.09, 1.91, 31.96 ppm; 2.68 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 43 + HB2 LYS 43 OK 98 100 100 98 3.0-3.0 3.0=71, 3814/3.0=35...(20) HA LYS 43 + HB3 LYS 43 OK 93 96 100 98 2.5-2.6 3.0=71, 3814/3.0=35...(20) HA LYS 43 - HB2 LYS 44 far 0 94 0 - 5.4-6.6 HA LYS 43 - HB3 LYS 44 far 0 97 0 - 5.4-6.6 HA LYS 43 - HB2 LYS 73 far 0 57 0 - 7.1-11.4 HA GLU 91 - HB2 LYS 96 far 0 64 0 - 8.0-9.7 HA LYS 43 - HB3 LYS 73 far 0 52 0 - 8.2-11.0 HA GLN 62 - HB2 LYS 96 far 0 57 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (1.91, 1.91, 31.96 ppm; diagonal): 7 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 15 assignments used, quality = 1.00: * HG2 LYS 43 + HB2 LYS 43 OK 100 100 100 100 2.4-2.9 3.0=97, 3814/3.0=41...(64) HG2 LYS 43 + HB3 LYS 43 OK 95 96 100 100 2.7-3.0 3.0=97, 3814/3.0=41...(54) HG2 LYS 43 - HB2 LYS 44 far 0 94 0 - 6.4-8.0 HG2 LYS 43 - HB3 LYS 44 far 0 97 0 - 6.5-8.2 HG2 ARG 30 - HB2 LYS 44 far 0 64 0 - 6.6-9.7 HG LEU 38 - HB2 LYS 43 far 0 96 0 - 6.8-7.5 HB2 LYS 61 - HB2 LYS 96 far 0 88 0 - 7.0-9.7 HG2 ARG 30 - HB3 LYS 44 far 0 67 0 - 7.3-9.9 HG2 LYS 43 - HB2 LYS 73 far 0 57 0 - 7.5-11.3 HB3 ARG 30 - HB2 LYS 44 far 0 94 0 - 8.2-11.2 HG2 LYS 43 - HB3 LYS 73 far 0 52 0 - 8.3-10.9 HG LEU 38 - HB3 LYS 44 far 0 90 0 - 8.3-10.9 HG LEU 38 - HB3 LYS 43 far 0 89 0 - 8.3-9.0 HG LEU 38 - HB2 LYS 44 far 0 87 0 - 8.6-10.6 HB3 ARG 30 - HB3 LYS 44 far 0 97 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 3825 from cnoeabs.peaks (1.37, 1.91, 31.96 ppm; 3.03 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 43 + HB2 LYS 43 OK 100 100 100 100 2.2-2.5 3.0=100 HG3 LYS 43 + HB3 LYS 43 OK 96 96 100 100 2.4-2.9 3.0=100 HG2 LYS 40 - HB3 LYS 44 far 13 88 15 - 4.1-7.5 HG2 LYS 40 - HB2 LYS 43 far 9 94 10 - 4.1-5.7 HG2 LYS 40 - HB2 LYS 44 far 4 85 5 - 4.1-7.5 HG2 LYS 40 - HB3 LYS 43 far 0 87 0 - 5.3-7.2 HG3 LYS 43 - HB3 LYS 44 far 0 97 0 - 6.5-8.4 HG3 LYS 43 - HB2 LYS 44 far 0 94 0 - 6.7-8.4 HG2 LYS 94 - HB2 LYS 96 far 0 90 0 - 6.9-9.6 HB3 LEU 68 - HB3 LYS 73 far 0 41 0 - 7.9-11.2 HB3 LEU 68 - HB2 LYS 96 far 0 76 0 - 8.0-9.3 HG3 LYS 43 - HB2 LYS 73 far 0 57 0 - 8.6-12.7 HG3 LYS 43 - HB3 LYS 73 far 0 52 0 - 9.4-12.5 HB3 LEU 68 - HB2 LYS 73 far 0 45 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3826 from cnoeabs.peaks (1.68, 1.91, 31.96 ppm; 2.57 A): 10 out of 39 assignments used, quality = 1.00: * HD2 LYS 43 + HB2 LYS 43 OK 97 100 100 97 3.1-3.8 3.8=30, 3846/3.0=20...(81) HD2 LYS 43 + HB3 LYS 43 OK 92 96 100 96 2.0-3.3 3.8=30, 3846/3.0=20...(75) HD3 LYS 43 + HB3 LYS 43 OK 89 93 100 96 2.7-3.7 3.8=30, 3846/3.0=19...(74) HD2 LYS 96 + HB2 LYS 96 OK 89 90 100 99 3.5-3.8 3.4=41, 6097/1.8=29...(76) HD3 LYS 96 + HB2 LYS 96 OK 83 88 95 99 3.5-4.1 3.4=41, 6097/1.8=29...(74) HD3 LYS 43 + HB2 LYS 43 OK 67 99 70 96 3.8-4.2 3.8=30, 3846/3.0=19...(80) HD3 LYS 73 + HB2 LYS 73 OK 53 54 100 97 2.0-4.0 3.8=30, 5187/2.9=22...(80) HD2 LYS 73 + HB2 LYS 73 OK 52 53 100 97 2.1-3.6 3.8=30, 5187/2.9=22...(79) HD3 LYS 73 + HB3 LYS 73 OK 48 50 100 97 2.3-3.7 3.8=30, 5187/2.9=22...(80) HD2 LYS 73 + HB3 LYS 73 OK 45 49 95 97 2.1-4.2 3.8=30, 5187/2.9=22...(79) HD2 LYS 40 - HB3 LYS 43 poor 19 95 20 - 3.7-7.2 HD3 LYS 40 - HB2 LYS 43 lone 11 100 75 15 2.8-6.1 3655/8065=8, 1278/4.0=3...(4) HD2 LYS 40 - HB3 LYS 44 far 10 96 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 9 100 65 13 2.9-6.0 3655/8065=8, 1256/6081=3 HD3 LYS 40 - HB3 LYS 43 lone 3 95 30 12 3.8-7.6 3655/8065=8, 1278/4.0=3 HD2 LYS 40 - HB2 LYS 44 far 0 93 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 96 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 94 0 - 4.3-7.9 HG3 ARG 95 - HB2 LYS 96 far 0 89 0 - 4.8-8.2 HD3 LYS 43 - HB2 LYS 73 far 0 54 0 - 6.0-10.7 HG12 ILE 71 - HB3 LYS 73 far 0 34 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 57 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 52 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 37 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 93 0 - 7.1-11.9 HD2 LYS 43 - HB2 LYS 44 far 0 94 0 - 7.3-8.8 HD3 LYS 43 - HB3 LYS 73 far 0 50 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 96 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.3-9.0 HD3 LYS 43 - HB3 LYS 44 far 0 94 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 91 0 - 7.8-9.0 HD3 LYS 73 - HB3 LYS 43 far 0 93 0 - 8.3-12.6 HB ILE 56 - HB3 LYS 44 far 0 86 0 - 8.7-12.8 HB ILE 56 - HB2 LYS 44 far 0 83 0 - 8.9-13.2 HD3 LYS 73 - HB2 LYS 43 far 0 99 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 92 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 77 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 71 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 98 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (1.68, 1.91, 31.96 ppm; 2.57 A): 14 out of 51 assignments used, quality = 1.00: HD2 LYS 43 + HB2 LYS 43 OK 95 99 100 96 3.1-3.8 3.8=30, 3847/3.0=20...(81) HD3 LYS 43 + HB3 LYS 43 OK 92 96 100 96 2.7-3.7 3.8=30, 3847/3.0=20...(74) HD2 LYS 43 + HB3 LYS 43 OK 89 93 100 96 2.0-3.3 3.8=30, 3847/3.0=20...(75) HD2 LYS 96 + HB2 LYS 96 OK 89 89 100 99 3.5-3.8 3.4=41, 6098/1.8=29...(76) HD3 LYS 96 + HB2 LYS 96 OK 85 90 95 99 3.5-4.1 3.4=41, 6098/1.8=29...(74) * HD3 LYS 43 + HB2 LYS 43 OK 67 100 70 96 3.8-4.2 3.8=30, 3847/3.0=20...(80) HD2 LYS 44 + HB2 LYS 44 OK 59 60 100 98 2.5-3.7 3.7=34, 1.8/3963=14...(78) HD3 LYS 73 + HB2 LYS 73 OK 55 57 100 97 2.0-4.0 3.8=30, 5187/2.9=22...(80) HD2 LYS 73 + HB2 LYS 73 OK 55 56 100 97 2.1-3.6 3.8=30, 5177/2.9=22...(79) HD3 LYS 44 + HB3 LYS 44 OK 52 56 95 98 2.3-4.2 3.7=34, 1.8/3953=14...(80) HD3 LYS 73 + HB3 LYS 73 OK 51 52 100 97 2.3-3.7 3.8=30, 5187/2.9=22...(80) HD2 LYS 44 + HB3 LYS 44 OK 50 63 80 98 2.3-4.2 3.7=34, 1.8/3953=16...(76) HD2 LYS 73 + HB3 LYS 73 OK 48 52 95 97 2.1-4.2 3.8=30, 5177/2.9=22...(79) HD3 LYS 44 + HB2 LYS 44 OK 37 53 70 98 2.0-4.2 3.7=34, 1.8/3953=17...(82) HD2 LYS 40 - HB3 LYS 43 poor 19 95 20 - 3.7-7.2 HD3 LYS 40 - HB2 LYS 43 lone 11 100 75 15 2.8-6.1 3654/8065=8, 1279/4.0=3...(4) HD2 LYS 40 - HB3 LYS 44 far 10 96 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 9 100 65 13 2.9-6.0 3654/8065=8, 1256/6081=3 HD3 LYS 40 - HB3 LYS 43 lone 3 95 30 12 3.8-7.6 3654/8065=8, 1279/4.0=3 HD2 LYS 40 - HB2 LYS 44 far 0 94 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 96 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 93 0 - 4.3-7.9 HG3 ARG 95 - HB2 LYS 96 far 0 83 0 - 4.8-8.2 HG3 LYS 39 - HB2 LYS 43 far 0 77 0 - 5.0-7.3 HD3 LYS 44 - HB2 LYS 43 far 0 61 0 - 5.1-7.5 HD2 LYS 44 - HB2 LYS 43 far 0 70 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 57 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 70 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 55 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 62 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 43 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 54 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 50 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 47 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 94 0 - 7.1-11.9 HD2 LYS 43 - HB2 LYS 44 far 0 91 0 - 7.3-8.8 HD3 LYS 43 - HB3 LYS 73 far 0 52 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 96 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 94 0 - 7.3-9.0 HG3 LYS 39 - HB3 LYS 44 far 0 71 0 - 7.4-11.8 HG3 LYS 39 - HB2 LYS 44 far 0 68 0 - 7.6-11.6 HD3 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 94 0 - 7.8-9.0 HD3 LYS 73 - HB3 LYS 43 far 0 96 0 - 8.3-12.6 HB ILE 56 - HB3 LYS 44 far 0 94 0 - 8.7-12.8 HB ILE 56 - HB2 LYS 44 far 0 91 0 - 8.9-13.2 HD3 LYS 73 - HB2 LYS 43 far 0 100 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 96 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 92 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 86 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3828 from cnoeabs.peaks (2.98, 1.91, 31.96 ppm; 3.81 A): 8 out of 37 assignments used, quality = 1.00: HE3 LYS 43 + HB2 LYS 43 OK 99 99 100 100 3.0-5.2 4.7=54, 3884/3.0=36...(81) HE2 LYS 43 + HB3 LYS 43 OK 96 96 100 100 1.9-4.6 4.7=54, 3884/3.0=37...(79) HE3 LYS 43 + HB3 LYS 43 OK 93 93 100 100 2.5-4.5 4.7=54, 3884/3.0=36...(77) * HE2 LYS 43 + HB2 LYS 43 OK 85 100 85 100 3.4-5.4 4.7=54, 3884/3.0=37...(84) HE3 LYS 73 + HB2 LYS 73 OK 56 56 100 100 3.5-5.0 4.9=47, 5207/2.9=38...(77) HE2 LYS 73 + HB3 LYS 73 OK 52 52 100 100 3.8-5.1 4.9=47, 5198/2.9=39...(78) HE3 LYS 73 + HB3 LYS 73 OK 51 51 100 100 3.8-5.1 4.9=47, 5207/2.9=38...(75) HE2 LYS 73 + HB2 LYS 73 OK 48 56 85 100 2.6-5.5 4.9=47, 5198/2.9=39...(80) HE2 LYS 39 - HB2 LYS 43 far 15 100 15 - 3.6-9.3 HE3 LYS 39 - HB3 LYS 43 far 14 96 15 - 3.6-10.4 HE2 LYS 39 - HB3 LYS 43 far 10 96 10 - 4.2-10.6 HE2 LYS 40 - HB2 LYS 43 poor 8 87 45 21 4.5-7.3 6.4/8065=11, 7.5/6081=4 HE3 LYS 40 - HB2 LYS 43 far 8 81 10 - 5.2-7.5 HE2 LYS 40 - HB3 LYS 43 far 4 79 5 - 5.3-8.5 HE3 LYS 39 - HB2 LYS 43 lone 1 100 30 3 3.5-9.3 1257/6081=2 HE3 LYS 40 - HB3 LYS 43 far 0 73 0 - 5.4-8.7 HE2 LYS 40 - HB3 LYS 44 far 0 80 0 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 44 far 0 74 0 - 5.8-9.9 HE2 LYS 40 - HB2 LYS 44 far 0 77 0 - 6.2-9.0 HE3 LYS 40 - HB2 LYS 44 far 0 71 0 - 6.3-9.4 HE3 LYS 39 - HB3 LYS 44 far 0 97 0 - 6.4-14.0 HE2 LYS 43 - HB2 LYS 44 far 0 94 0 - 6.6-11.0 HE2 LYS 39 - HB2 LYS 44 far 0 94 0 - 6.8-12.9 HE3 LYS 73 - HB3 LYS 43 far 0 95 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 57 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 95 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.4-11.0 HE3 LYS 39 - HB2 LYS 44 far 0 94 0 - 7.5-12.8 HE3 LYS 43 - HB3 LYS 73 far 0 50 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 100 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 100 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 52 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 54 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 97 0 - 8.1-13.8 HE3 LYS 43 - HB2 LYS 44 far 0 91 0 - 8.2-10.5 HE3 LYS 43 - HB3 LYS 44 far 0 94 0 - 8.6-10.7 HE3 LYS 73 - HB3 LYS 44 far 0 96 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (2.98, 1.91, 31.96 ppm; 3.81 A): 8 out of 37 assignments used, quality = 1.00: * HE3 LYS 43 + HB2 LYS 43 OK 100 100 100 100 3.0-5.2 4.7=54, 3884/3.0=35...(81) HE3 LYS 43 + HB3 LYS 43 OK 95 96 100 100 2.5-4.5 4.7=54, 3884/3.0=35...(77) HE2 LYS 43 + HB3 LYS 43 OK 93 93 100 100 1.9-4.6 4.7=54, 3884/3.0=36...(80) HE2 LYS 43 + HB2 LYS 43 OK 84 99 85 100 3.4-5.4 4.7=54, 3884/3.0=36...(84) HE3 LYS 73 + HB2 LYS 73 OK 56 56 100 100 3.5-5.0 4.9=47, 5207/2.9=38...(77) HE3 LYS 73 + HB3 LYS 73 OK 52 52 100 100 3.8-5.1 4.9=47, 5207/2.9=38...(75) HE2 LYS 73 + HB3 LYS 73 OK 48 48 100 100 3.8-5.1 4.9=47, 5198/2.9=37...(78) HE2 LYS 73 + HB2 LYS 73 OK 44 52 85 100 2.6-5.5 4.9=47, 5198/2.9=37...(80) HE2 LYS 39 - HB2 LYS 43 far 15 99 15 - 3.6-9.3 HE3 LYS 39 - HB3 LYS 43 far 14 92 15 - 3.6-10.4 HE2 LYS 39 - HB3 LYS 43 far 9 94 10 - 4.2-10.6 HE3 LYS 40 - HB2 LYS 43 far 9 94 10 - 5.2-7.5 HE2 LYS 40 - HB2 LYS 43 poor 9 97 45 21 4.5-7.3 6.4/8065=11, 7.5/6081=4 HE2 LYS 40 - HB3 LYS 43 far 5 90 5 - 5.3-8.5 HE3 LYS 39 - HB2 LYS 43 lone 1 98 30 4 3.5-9.3 1257/6081=2 HE3 LYS 40 - HB3 LYS 43 far 0 87 0 - 5.4-8.7 HE2 LYS 40 - HB3 LYS 44 far 0 92 0 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 44 far 0 88 0 - 5.8-9.9 HE2 LYS 40 - HB2 LYS 44 far 0 89 0 - 6.2-9.0 HE3 LYS 40 - HB2 LYS 44 far 0 85 0 - 6.3-9.4 HE3 LYS 39 - HB3 LYS 44 far 0 93 0 - 6.4-14.0 HE2 LYS 43 - HB2 LYS 44 far 0 91 0 - 6.6-11.0 HE2 LYS 39 - HB2 LYS 44 far 0 92 0 - 6.8-12.9 HE3 LYS 73 - HB3 LYS 43 far 0 95 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 54 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 90 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 94 0 - 7.4-11.0 HE3 LYS 39 - HB2 LYS 44 far 0 90 0 - 7.5-12.8 HE3 LYS 43 - HB3 LYS 73 far 0 52 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 100 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 97 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 50 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 57 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 95 0 - 8.1-13.8 HE3 LYS 43 - HB2 LYS 44 far 0 94 0 - 8.2-10.5 HE3 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.6-10.7 HE3 LYS 73 - HB3 LYS 44 far 0 96 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (7.50, 1.90, 31.96 ppm; 3.24 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 43 + HB3 LYS 43 OK 99 100 100 99 3.5-3.6 4.0=54, 1274/1.8=41...(19) H LYS 43 + HB2 LYS 43 OK 95 96 100 99 2.2-2.5 4.0=54, 1276/3.0=41...(21) H LYS 43 + HB2 LYS 44 OK 31 77 70 58 4.2-6.0 1888/4.0=39, 2057/4.7=16...(4) H LYS 43 - HB3 LYS 44 poor 15 92 30 54 4.4-6.0 1888/4.0=39, 2057/4.7=16 H LYS 43 - HB2 LYS 73 far 0 78 0 - 8.5-12.3 H LYS 43 - HB3 LYS 73 far 0 76 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 3831 from cnoeabs.peaks (4.09, 1.90, 31.96 ppm; 2.66 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 43 + HB3 LYS 43 OK 97 100 100 97 2.5-2.6 3.0=69, 3814/3.0=34...(20) HA LYS 43 + HB2 LYS 43 OK 93 96 100 97 3.0-3.0 3.0=69, 3814/3.0=34...(20) HA LYS 20 + HB2 LYS 20 OK 77 78 100 99 2.3-3.0 3.0=70, 3063/2.9=32...(27) HA LYS 20 + HB3 LYS 20 OK 77 78 100 99 2.3-3.0 3.0=70, 3063/2.9=32...(27) HA LYS 43 - HB2 LYS 44 far 0 77 0 - 5.4-6.6 HA LYS 43 - HB3 LYS 44 far 0 92 0 - 5.4-6.6 HA LYS 43 - HB2 LYS 73 far 0 78 0 - 7.1-11.4 HA GLU 91 - HB2 LYS 96 far 0 71 0 - 8.0-9.7 HA LYS 43 - HB3 LYS 73 far 0 76 0 - 8.2-11.0 HA GLN 62 - HB2 LYS 96 far 0 64 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. 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): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 43 + HB3 LYS 43 OK 100 100 100 100 2.7-3.0 3.0=98, 3814/3.0=41...(54) HG2 LYS 43 + HB2 LYS 43 OK 96 96 100 100 2.4-2.9 3.0=98, 3814/3.0=41...(64) HG2 LYS 20 + HB3 LYS 20 OK 72 72 100 100 2.3-3.0 2.9=100 HG2 LYS 20 + HB2 LYS 20 OK 72 72 100 100 2.3-3.0 2.9=100 HG2 LYS 43 - HB2 LYS 44 far 0 77 0 - 6.4-8.0 HG2 LYS 43 - HB3 LYS 44 far 0 92 0 - 6.5-8.2 HG2 ARG 30 - HB2 LYS 44 far 0 49 0 - 6.6-9.7 HG LEU 38 - HB2 LYS 43 far 0 89 0 - 6.8-7.5 HB2 LYS 61 - HB2 LYS 96 far 0 95 0 - 7.0-9.7 HD3 LYS 17 - HB2 LYS 20 far 0 76 0 - 7.2-9.7 HG2 ARG 30 - HB3 LYS 44 far 0 62 0 - 7.3-9.9 HD3 LYS 17 - HB3 LYS 20 far 0 76 0 - 7.3-10.0 HG2 LYS 43 - HB2 LYS 73 far 0 78 0 - 7.5-11.3 HB3 ARG 30 - HB2 LYS 44 far 0 76 0 - 8.2-11.2 HG2 LYS 43 - HB3 LYS 73 far 0 76 0 - 8.3-10.9 HG LEU 38 - HB3 LYS 44 far 0 85 0 - 8.3-10.9 HG LEU 38 - HB3 LYS 43 far 0 96 0 - 8.3-9.0 HG LEU 38 - HB2 LYS 44 far 0 69 0 - 8.6-10.6 HB3 ARG 30 - HB3 LYS 44 far 0 92 0 - 8.7-10.8 HB3 LEU 14 - HB3 LYS 20 far 0 53 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3835 from cnoeabs.peaks (1.37, 1.90, 31.96 ppm; 3.07 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 43 + HB3 LYS 43 OK 100 100 100 100 2.4-2.9 3.0=100 HG3 LYS 43 + HB2 LYS 43 OK 96 96 100 100 2.2-2.5 3.0=100 HG2 LYS 40 - HB3 LYS 44 far 12 83 15 - 4.1-7.5 HG2 LYS 40 - HB2 LYS 43 far 9 87 10 - 4.1-5.7 HG2 LYS 40 - HB2 LYS 44 far 3 67 5 - 4.1-7.5 HG2 LYS 40 - HB3 LYS 43 far 0 94 0 - 5.3-7.2 HG3 LYS 43 - HB3 LYS 44 far 0 92 0 - 6.5-8.4 HG3 LYS 43 - HB2 LYS 44 far 0 77 0 - 6.7-8.4 HG2 LYS 94 - HB2 LYS 96 far 0 97 0 - 6.9-9.6 HB3 LEU 68 - HB3 LYS 73 far 0 62 0 - 7.9-11.2 HB3 LEU 68 - HB2 LYS 96 far 0 84 0 - 8.0-9.3 HG3 LYS 43 - HB2 LYS 73 far 0 78 0 - 8.6-12.7 HG3 LYS 43 - HB3 LYS 73 far 0 76 0 - 9.4-12.5 HB3 LEU 68 - HB2 LYS 73 far 0 64 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (1.68, 1.90, 31.96 ppm; 2.60 A): 14 out of 50 assignments used, quality = 1.00: * HD2 LYS 43 + HB3 LYS 43 OK 96 100 100 96 2.0-3.3 3.8=31, 3846/3.0=20...(75) HD2 LYS 96 + HB2 LYS 96 OK 96 96 100 99 3.5-3.8 3.4=43, 6097/1.8=30...(76) HD3 LYS 43 + HB3 LYS 43 OK 95 99 100 96 2.7-3.7 3.8=31, 3846/3.0=20...(74) HD2 LYS 43 + HB2 LYS 43 OK 93 96 100 97 3.1-3.8 3.8=31, 3846/3.0=20...(81) HD3 LYS 96 + HB2 LYS 96 OK 90 95 95 99 3.5-4.1 3.4=43, 6097/1.8=30...(74) HD3 LYS 73 + HB2 LYS 73 OK 74 75 100 98 2.0-4.0 3.8=31, 5187/2.9=22...(80) HD2 LYS 73 + HB2 LYS 73 OK 72 74 100 98 2.1-3.6 3.8=31, 5187/2.9=22...(79) HD3 LYS 73 + HB3 LYS 73 OK 71 73 100 98 2.3-3.7 3.8=31, 5187/2.9=22...(80) HD3 LYS 20 + HB3 LYS 20 OK 69 70 100 98 2.3-3.8 3.4=43, 3079/2.9=19...(72) HD2 LYS 20 + HB3 LYS 20 OK 67 68 100 98 2.2-4.0 3.4=43, 3079/2.9=19...(71) HD2 LYS 73 + HB3 LYS 73 OK 66 71 95 98 2.1-4.2 3.8=31, 5187/2.9=22...(79) HD2 LYS 20 + HB2 LYS 20 OK 64 68 95 98 2.2-4.2 3.4=43, 3079/2.9=19...(74) HD3 LYS 43 + HB2 LYS 43 OK 63 93 70 97 3.8-4.2 3.8=31, 3846/3.0=20...(80) HD3 LYS 20 + HB2 LYS 20 OK 48 70 70 98 2.0-4.2 3.4=43, 3079/2.9=19...(74) HD2 LYS 40 - HB3 LYS 43 poor 20 100 20 - 3.7-7.2 HD3 LYS 40 - HB2 LYS 43 lone 11 95 75 15 2.8-6.1 3655/8066=8, 1256/6081=3...(4) HD2 LYS 40 - HB3 LYS 44 far 9 91 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 8 95 65 14 2.9-6.0 3655/8066=8, 1256/6081=3 HD3 LYS 40 - HB3 LYS 43 lone 4 100 30 13 3.8-7.6 3655/8067=8, 1278/4.0=3 HD2 LYS 40 - HB2 LYS 44 far 0 75 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 92 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 76 0 - 4.3-7.9 HG3 ARG 95 - HB2 LYS 96 far 0 96 0 - 4.8-8.2 HD3 LYS 43 - HB2 LYS 73 far 0 75 0 - 6.0-10.7 HG12 ILE 71 - HB3 LYS 73 far 0 51 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 78 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 76 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 53 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 75 0 - 7.1-11.9 HD2 LYS 17 - HB3 LYS 20 far 0 78 0 - 7.3-9.6 HD2 LYS 43 - HB2 LYS 44 far 0 77 0 - 7.3-8.8 HD3 LYS 43 - HB3 LYS 73 far 0 73 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 91 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 92 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 78 0 - 7.4-9.7 HD2 LYS 16 - HB3 LYS 20 far 0 72 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 72 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 89 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 74 0 - 7.8-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 66 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 99 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 66 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 81 0 - 8.7-12.8 HB ILE 56 - HB2 LYS 44 far 0 65 0 - 8.9-13.2 HD3 LYS 73 - HB2 LYS 43 far 0 93 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 98 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 70 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 66 0 - 9.4-13.8 HD3 LYS 115 - HB3 LYS 20 far 0 41 0 - 9.5-16.1 HD2 LYS 73 - HB2 LYS 43 far 0 92 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (1.68, 1.90, 31.96 ppm; 2.60 A): 18 out of 61 assignments used, quality = 1.00: * HD3 LYS 43 + HB3 LYS 43 OK 96 100 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD2 LYS 96 + HB2 LYS 96 OK 95 96 100 99 3.5-3.8 3.4=43, 6098/1.8=30...(76) HD2 LYS 43 + HB3 LYS 43 OK 95 99 100 96 2.0-3.3 3.8=31, 3847/3.0=20...(75) HD3 LYS 96 + HB2 LYS 96 OK 91 97 95 99 3.5-4.1 3.4=43, 6098/1.8=30...(74) HD2 LYS 43 + HB2 LYS 43 OK 90 93 100 97 3.1-3.8 3.8=31, 3847/3.0=20...(81) HD3 LYS 73 + HB2 LYS 73 OK 77 78 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) HD2 LYS 73 + HB2 LYS 73 OK 76 78 100 98 2.1-3.6 3.8=31, 5177/2.9=23...(79) HD3 LYS 20 + HB3 LYS 20 OK 76 77 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 75 76 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD3 LYS 73 + HB3 LYS 73 OK 74 76 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) HD2 LYS 20 + HB2 LYS 20 OK 71 76 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD2 LYS 73 + HB3 LYS 73 OK 70 75 95 98 2.1-4.2 3.8=31, 5177/2.9=23...(79) HD3 LYS 43 + HB2 LYS 43 OK 65 96 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD3 LYS 20 + HB2 LYS 20 OK 53 77 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 44 + HB3 LYS 44 OK 48 52 95 98 2.3-4.2 3.7=36, 1.8/3953=14...(80) HD2 LYS 44 + HB3 LYS 44 OK 46 59 80 98 2.3-4.2 3.7=36, 1.8/3953=16...(77) HD2 LYS 44 + HB2 LYS 44 OK 45 46 100 98 2.5-3.7 3.7=36, 1.8/3963=14...(79) HD3 LYS 44 + HB2 LYS 44 OK 27 40 70 98 2.0-4.2 3.7=36, 1.8/3953=17...(82) HD2 LYS 40 - HB3 LYS 43 poor 20 100 20 - 3.7-7.2 HD3 LYS 40 - HB2 LYS 43 lone 11 95 75 15 2.8-6.1 3654/8066=8, 1256/6081=3...(4) HD2 LYS 40 - HB3 LYS 44 far 9 92 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 9 95 65 14 2.9-6.0 3654/8066=8, 1256/6081=3 HD3 LYS 40 - HB3 LYS 43 lone 4 100 30 13 3.8-7.6 3654/8067=8, 1279/4.0=3 HD2 LYS 40 - HB2 LYS 44 far 0 76 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 91 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 75 0 - 4.3-7.9 HG3 ARG 95 - HB2 LYS 96 far 0 90 0 - 4.8-8.2 HG3 LYS 39 - HB2 LYS 43 far 0 70 0 - 5.0-7.3 HD3 LYS 44 - HB2 LYS 43 far 0 55 0 - 5.1-7.5 HD2 LYS 44 - HB2 LYS 43 far 0 62 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 78 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 77 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 61 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 70 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 64 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 75 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 73 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 67 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 76 0 - 7.1-11.9 HD2 LYS 17 - HB3 LYS 20 far 0 77 0 - 7.3-9.6 HD2 LYS 43 - HB2 LYS 44 far 0 74 0 - 7.3-8.8 HD3 LYS 43 - HB3 LYS 73 far 0 76 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 92 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 89 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 77 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 66 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 78 0 - 7.6-10.2 HG3 LYS 39 - HB2 LYS 44 far 0 52 0 - 7.6-11.6 HD2 LYS 16 - HB2 LYS 20 far 0 78 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 92 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 77 0 - 7.8-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 75 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 100 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 75 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 89 0 - 8.7-12.8 HB ILE 56 - HB2 LYS 44 far 0 74 0 - 8.9-13.2 HD3 LYS 73 - HB2 LYS 43 far 0 96 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 100 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 84 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 81 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 96 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (2.98, 1.90, 31.96 ppm; 3.87 A): 12 out of 47 assignments used, quality = 1.00: * HE2 LYS 43 + HB3 LYS 43 OK 100 100 100 100 1.9-4.6 4.7=57, 3884/3.0=38...(80) HE3 LYS 43 + HB3 LYS 43 OK 99 99 100 100 2.5-4.5 4.7=57, 3884/3.0=37...(77) HE3 LYS 43 + HB2 LYS 43 OK 93 93 100 100 3.0-5.2 4.7=57, 3884/3.0=37...(81) HE2 LYS 43 + HB2 LYS 43 OK 86 96 90 100 3.4-5.4 4.7=57, 3884/3.0=38...(84) HE3 LYS 73 + HB2 LYS 73 OK 77 77 100 100 3.5-5.0 4.9=50, 5207/2.9=39...(77) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 3.8-5.1 4.9=50, 5198/2.9=40...(78) HE3 LYS 73 + HB3 LYS 73 OK 74 75 100 100 3.8-5.1 4.9=50, 5207/2.9=39...(75) HE2 LYS 73 + HB2 LYS 73 OK 70 78 90 100 2.6-5.5 4.9=50, 5198/2.9=40...(80) HE3 LYS 20 + HB3 LYS 20 OK 50 50 100 100 2.1-5.1 4.8=51, ~3071=20...(101) HE2 LYS 20 + HB3 LYS 20 OK 50 50 100 100 2.2-5.1 4.8=51, ~3071=20...(101) HE3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 3.2-5.1 4.8=51, ~3071=20...(101) HE2 LYS 20 + HB2 LYS 20 OK 48 50 95 100 2.4-5.5 4.8=51, ~3071=20...(101) HE3 LYS 39 - HB3 LYS 43 far 15 100 15 - 3.6-10.4 HE2 LYS 39 - HB2 LYS 43 far 14 96 15 - 3.6-9.3 HE3 LYS 40 - HB2 LYS 43 far 11 73 15 - 5.2-7.5 HE2 LYS 39 - HB3 LYS 43 far 10 100 10 - 4.2-10.6 HE2 LYS 40 - HB2 LYS 43 poor 10 79 55 22 4.5-7.3 6.4/8066=11, 7.5/6081=5 HE2 LYS 40 - HB3 LYS 43 far 9 87 10 - 5.3-8.5 HB2 ASN 24 - HB3 LYS 20 far 3 59 5 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 3 59 5 - 5.3-9.9 HE3 LYS 39 - HB2 LYS 43 lone 1 96 30 4 3.5-9.3 1257/6081=2 HE3 LYS 40 - HB3 LYS 43 far 0 81 0 - 5.4-8.7 HE2 LYS 40 - HB3 LYS 44 far 0 75 0 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 44 far 0 69 0 - 5.8-9.9 HB3 ASN 24 - HB3 LYS 20 far 0 59 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 59 0 - 6.2-10.6 HE2 LYS 40 - HB2 LYS 44 far 0 60 0 - 6.2-9.0 HE3 LYS 40 - HB2 LYS 44 far 0 55 0 - 6.3-9.4 HE3 LYS 39 - HB3 LYS 44 far 0 92 0 - 6.4-14.0 HE2 LYS 43 - HB2 LYS 44 far 0 77 0 - 6.6-11.0 HE2 LYS 39 - HB2 LYS 44 far 0 76 0 - 6.8-12.9 HE3 LYS 73 - HB3 LYS 43 far 0 100 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 78 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 100 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 92 0 - 7.4-11.0 HD3 ARG 118 - HB2 LYS 20 far 0 68 0 - 7.5-15.9 HE3 LYS 39 - HB2 LYS 44 far 0 76 0 - 7.5-12.8 HE3 LYS 43 - HB3 LYS 73 far 0 73 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 95 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 95 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 76 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 75 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 92 0 - 8.1-13.8 HE3 LYS 43 - HB2 LYS 44 far 0 74 0 - 8.2-10.5 HE3 LYS 43 - HB3 LYS 44 far 0 89 0 - 8.6-10.7 HD3 ARG 118 - HB3 LYS 20 far 0 68 0 - 8.7-14.5 HE3 LYS 73 - HB3 LYS 44 far 0 91 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (2.98, 1.90, 31.96 ppm; 3.87 A): 12 out of 47 assignments used, quality = 1.00: * HE3 LYS 43 + HB3 LYS 43 OK 100 100 100 100 2.5-4.5 4.7=57, 3884/3.0=36...(77) HE2 LYS 43 + HB3 LYS 43 OK 99 99 100 100 1.9-4.6 4.7=57, 3884/3.0=37...(80) HE3 LYS 43 + HB2 LYS 43 OK 96 96 100 100 3.0-5.2 4.7=57, 3884/3.0=36...(81) HE2 LYS 43 + HB2 LYS 43 OK 84 93 90 100 3.4-5.4 4.7=57, 3884/3.0=37...(84) HE3 LYS 73 + HB2 LYS 73 OK 78 78 100 100 3.5-5.0 4.9=50, 5207/2.9=39...(77) HE3 LYS 73 + HB3 LYS 73 OK 75 75 100 100 3.8-5.1 4.9=50, 5207/2.9=39...(75) HE2 LYS 73 + HB3 LYS 73 OK 70 70 100 100 3.8-5.1 4.9=50, 5198/2.9=38...(78) HE2 LYS 73 + HB2 LYS 73 OK 65 73 90 100 2.6-5.5 4.9=50, 5198/2.9=38...(80) HE3 LYS 20 + HB3 LYS 20 OK 64 64 100 100 2.1-5.1 4.8=51, 3071/2.9=26...(101) HE2 LYS 20 + HB3 LYS 20 OK 64 64 100 100 2.2-5.1 4.8=51, 3071/2.9=26...(101) HE3 LYS 20 + HB2 LYS 20 OK 64 64 100 100 3.2-5.1 4.8=51, 3071/2.9=26...(101) HE2 LYS 20 + HB2 LYS 20 OK 61 64 95 100 2.4-5.5 4.8=51, 3071/2.9=26...(101) HE3 LYS 39 - HB3 LYS 43 far 15 98 15 - 3.6-10.4 HE2 LYS 39 - HB2 LYS 43 far 14 94 15 - 3.6-9.3 HE3 LYS 40 - HB2 LYS 43 far 13 87 15 - 5.2-7.5 HE2 LYS 40 - HB2 LYS 43 poor 11 90 55 22 4.5-7.3 6.4/8066=11, 7.5/6081=5 HE2 LYS 39 - HB3 LYS 43 far 10 99 10 - 4.2-10.6 HE2 LYS 40 - HB3 LYS 43 far 10 97 10 - 5.3-8.5 HB2 ASN 24 - HB3 LYS 20 far 4 70 5 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 4 70 5 - 5.3-9.9 HE3 LYS 39 - HB2 LYS 43 lone 1 92 30 4 3.5-9.3 1257/6081=2 HE3 LYS 40 - HB3 LYS 43 far 0 94 0 - 5.4-8.7 HE2 LYS 40 - HB3 LYS 44 far 0 87 0 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 44 far 0 83 0 - 5.8-9.9 HB3 ASN 24 - HB3 LYS 20 far 0 70 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 70 0 - 6.2-10.6 HE2 LYS 40 - HB2 LYS 44 far 0 71 0 - 6.2-9.0 HE3 LYS 40 - HB2 LYS 44 far 0 67 0 - 6.3-9.4 HE3 LYS 39 - HB3 LYS 44 far 0 88 0 - 6.4-14.0 HE2 LYS 43 - HB2 LYS 44 far 0 74 0 - 6.6-11.0 HE2 LYS 39 - HB2 LYS 44 far 0 75 0 - 6.8-12.9 HE3 LYS 73 - HB3 LYS 43 far 0 100 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 75 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 97 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 89 0 - 7.4-11.0 HD3 ARG 118 - HB2 LYS 20 far 0 76 0 - 7.5-15.9 HE3 LYS 39 - HB2 LYS 44 far 0 72 0 - 7.5-12.8 HE3 LYS 43 - HB3 LYS 73 far 0 76 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 95 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 90 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 73 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 78 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 91 0 - 8.1-13.8 HE3 LYS 43 - HB2 LYS 44 far 0 77 0 - 8.2-10.5 HE3 LYS 43 - HB3 LYS 44 far 0 92 0 - 8.6-10.7 HD3 ARG 118 - HB3 LYS 20 far 0 76 0 - 8.7-14.5 HE3 LYS 73 - HB3 LYS 44 far 0 92 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 4.9=100 Violated in 0 structures by 0.00 A. Peak 3841 from cnoeabs.peaks (4.09, 1.51, 24.91 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.4-3.1 3814=100, 3815/1.8=59...(51) Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (1.91, 1.51, 24.91 ppm; 3.33 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 LYS 43 + HG2 LYS 43 OK 98 98 100 100 2.7-3.0 3.0=100 HB2 LYS 44 - HG2 LYS 43 far 0 99 0 - 6.4-8.0 HB3 LYS 44 - HG2 LYS 43 far 0 100 0 - 6.5-8.2 HB2 LEU 45 - HG2 LYS 43 far 0 100 0 - 7.0-7.6 HB2 LYS 73 - HG2 LYS 43 far 0 87 0 - 7.5-11.3 HB3 LYS 73 - HG2 LYS 43 far 0 84 0 - 8.3-10.9 HB ILE 71 - HG2 LYS 43 far 0 90 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 3843 from cnoeabs.peaks (1.90, 1.51, 24.91 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 43 + HG2 LYS 43 OK 98 98 100 100 2.4-2.9 3.0=100 HG LEU 45 - HG2 LYS 43 far 0 61 0 - 6.4-7.9 HB2 LYS 44 - HG2 LYS 43 far 0 92 0 - 6.4-8.0 HB3 LYS 44 - HG2 LYS 43 far 0 99 0 - 6.5-8.2 HB2 LEU 45 - HG2 LYS 43 far 0 100 0 - 7.0-7.6 HB2 LYS 73 - HG2 LYS 43 far 0 98 0 - 7.5-11.3 HB3 LYS 73 - HG2 LYS 43 far 0 97 0 - 8.3-10.9 HB ILE 71 - HG2 LYS 43 far 0 99 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 LYS 43 + HG2 LYS 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 40 - HG2 LYS 43 far 0 94 0 - 6.2-8.3 Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (1.68, 1.51, 24.91 ppm; 2.64 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 43 + HG2 LYS 43 OK 99 100 100 99 2.4-3.0 2.9=74, 1.8/3864=19...(64) HD3 LYS 43 + HG2 LYS 43 OK 98 99 100 99 2.3-2.5 2.9=74, 1.8/3864=19...(50) HD3 LYS 40 - HG2 LYS 43 far 0 100 0 - 4.6-8.1 HD2 LYS 40 - HG2 LYS 43 far 0 100 0 - 5.2-9.0 HD3 LYS 73 - HG2 LYS 43 far 0 99 0 - 6.5-10.4 HD2 LYS 73 - HG2 LYS 43 far 0 98 0 - 7.7-11.0 HG12 ILE 71 - HG2 LYS 43 far 0 77 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 3847 from cnoeabs.peaks (1.68, 1.51, 24.91 ppm; 2.64 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 43 + HG2 LYS 43 OK 99 100 100 99 2.3-2.5 2.9=74, 1.8/3864=19...(50) HD2 LYS 43 + HG2 LYS 43 OK 98 99 100 99 2.4-3.0 2.9=74, 1.8/3864=19...(64) HD3 LYS 40 - HG2 LYS 43 far 0 100 0 - 4.6-8.1 HD2 LYS 40 - HG2 LYS 43 far 0 100 0 - 5.2-9.0 HG3 LYS 39 - HG2 LYS 43 far 0 77 0 - 5.5-7.8 HD3 LYS 73 - HG2 LYS 43 far 0 100 0 - 6.5-10.4 HD3 LYS 44 - HG2 LYS 43 far 0 61 0 - 7.1-9.3 HD2 LYS 73 - HG2 LYS 43 far 0 100 0 - 7.7-11.0 HD2 LYS 44 - HG2 LYS 43 far 0 70 0 - 8.1-9.3 HG12 ILE 71 - HG2 LYS 43 far 0 92 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 3848 from cnoeabs.peaks (2.98, 1.51, 24.91 ppm; 3.83 A): 2 out of 8 assignments used, quality = 1.00: * HE2 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.5-3.8 3.9=93, 1.8/3884=46...(103) HE3 LYS 43 + HG2 LYS 43 OK 99 99 100 100 2.6-4.2 3.9=93, 1.8/3884=47...(98) HE3 LYS 39 - HG2 LYS 43 poor 20 100 20 - 3.5-9.1 HE2 LYS 39 - HG2 LYS 43 far 10 100 10 - 4.1-9.5 HE2 LYS 73 - HG2 LYS 43 far 0 100 0 - 5.5-11.5 HE2 LYS 40 - HG2 LYS 43 far 0 87 0 - 5.6-9.5 HE3 LYS 73 - HG2 LYS 43 far 0 100 0 - 5.7-10.6 HE3 LYS 40 - HG2 LYS 43 far 0 81 0 - 6.7-10.2 Violated in 0 structures by 0.00 A. Peak 3849 from cnoeabs.peaks (2.98, 1.51, 24.91 ppm; 3.83 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.6-4.2 3.9=93, 1.8/3884=47...(98) HE2 LYS 43 + HG2 LYS 43 OK 99 99 100 100 2.5-3.8 3.9=93, 1.8/3884=46...(103) HE3 LYS 39 - HG2 LYS 43 poor 20 98 20 - 3.5-9.1 HE2 LYS 39 - HG2 LYS 43 far 10 99 10 - 4.1-9.5 HE2 LYS 73 - HG2 LYS 43 far 0 97 0 - 5.5-11.5 HE2 LYS 40 - HG2 LYS 43 far 0 97 0 - 5.6-9.5 HE3 LYS 73 - HG2 LYS 43 far 0 100 0 - 5.7-10.6 HE3 LYS 40 - HG2 LYS 43 far 0 94 0 - 6.7-10.2 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (7.50, 1.37, 24.91 ppm; 5.31 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.7-3.9 4.9=100 H LYS 43 + HG2 LYS 40 OK 79 84 100 94 5.5-6.7 2055/4.0=79, 2047/5.0=48...(4) Violated in 0 structures by 0.00 A. Peak 3851 from cnoeabs.peaks (4.09, 1.37, 24.91 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 43 + HG3 LYS 43 OK 100 100 100 100 3.5-3.8 3.9=96, 3814/1.8=90...(54) HA GLU 91 + HG2 LYS 94 OK 54 58 100 93 1.8-4.8 8195/3.0=34...(15) HA LYS 43 - HG2 LYS 40 far 0 84 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 3852 from cnoeabs.peaks (1.91, 1.37, 24.91 ppm; 3.19 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LYS 43 + HG3 LYS 43 OK 98 98 100 100 2.4-2.9 3.0=100 HB3 LYS 44 - HG2 LYS 40 poor 17 84 20 - 4.1-7.5 HB2 ARG 95 - HG2 LYS 94 far 11 72 15 - 3.8-7.7 HB2 LYS 43 - HG2 LYS 40 far 8 84 10 - 4.1-5.7 HB2 LYS 44 - HG2 LYS 40 far 4 82 5 - 4.1-7.5 HB3 LYS 43 - HG2 LYS 40 far 0 80 0 - 5.3-7.2 HB3 LYS 44 - HG3 LYS 43 far 0 100 0 - 6.5-8.4 HB2 LYS 44 - HG3 LYS 43 far 0 99 0 - 6.7-8.4 HB2 LYS 96 - HG2 LYS 94 far 0 79 0 - 6.9-9.6 HB2 LEU 45 - HG3 LYS 43 far 0 100 0 - 8.2-8.8 HB2 LYS 49 - HG2 LYS 40 far 0 76 0 - 8.5-17.4 HB2 LYS 73 - HG3 LYS 43 far 0 87 0 - 8.6-12.7 HB3 LYS 73 - HG3 LYS 43 far 0 84 0 - 9.4-12.5 HB2 LEU 81 - HG2 LYS 94 far 0 67 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (1.90, 1.37, 24.91 ppm; 3.19 A): 2 out of 17 assignments used, quality = 1.00: * HB3 LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LYS 43 + HG3 LYS 43 OK 98 98 100 100 2.2-2.5 3.0=100 HB3 LYS 44 - HG2 LYS 40 poor 16 81 20 - 4.1-7.5 HB2 ARG 95 - HG2 LYS 94 far 12 82 15 - 3.8-7.7 HB2 LYS 43 - HG2 LYS 40 far 8 80 10 - 4.1-5.7 HB2 LYS 44 - HG2 LYS 40 far 4 72 5 - 4.1-7.5 HB3 LYS 43 - HG2 LYS 40 far 0 84 0 - 5.3-7.2 HB3 LYS 44 - HG3 LYS 43 far 0 99 0 - 6.5-8.4 HB2 LYS 44 - HG3 LYS 43 far 0 92 0 - 6.7-8.4 HB2 LYS 96 - HG2 LYS 94 far 0 84 0 - 6.9-9.6 HG LEU 45 - HG3 LYS 43 far 0 61 0 - 7.6-9.0 HB2 LEU 45 - HG3 LYS 43 far 0 100 0 - 8.2-8.8 HB2 LYS 49 - HG2 LYS 40 far 0 84 0 - 8.5-17.4 HB2 LYS 73 - HG3 LYS 43 far 0 98 0 - 8.6-12.7 HG LEU 45 - HG2 LYS 40 far 0 45 0 - 8.8-10.3 HB3 LYS 73 - HG3 LYS 43 far 0 97 0 - 9.4-12.5 HB2 LEU 81 - HG2 LYS 94 far 0 48 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 3854 from cnoeabs.peaks (1.51, 1.37, 24.91 ppm; 2.63 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 43 + HG3 LYS 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 38 - HG3 LYS 43 far 0 96 0 - 5.7-7.5 HG2 LYS 43 - HG2 LYS 40 far 0 84 0 - 6.2-8.3 HG LEU 38 - HG2 LYS 40 far 0 76 0 - 7.2-9.3 HG2 ARG 30 - HG2 LYS 40 far 0 55 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HD2 LYS 43 + HG3 LYS 43 OK 99 100 100 99 2.5-3.0 2.9=79, 3846/1.8=33...(66) HD3 LYS 43 + HG3 LYS 43 OK 98 99 100 99 2.4-3.0 2.9=79, 3846/1.8=33...(59) HD3 LYS 40 + HG2 LYS 40 OK 83 84 100 100 2.3-3.0 2.9=78, 3695/1.8=36...(49) HD2 LYS 40 + HG2 LYS 40 OK 83 83 100 100 2.3-3.0 2.9=78, 3695/1.8=36...(49) HD2 LYS 40 - HG3 LYS 43 far 15 100 15 - 4.0-7.8 HG3 ARG 95 - HG2 LYS 94 far 12 83 15 - 2.8-8.6 HD3 LYS 40 - HG3 LYS 43 lone 11 100 60 18 3.5-6.9 3655/3652=6, 1256/1253=3...(5) HD2 LYS 96 - HG2 LYS 94 far 0 83 0 - 6.3-9.6 HD2 LYS 43 - HG2 LYS 40 far 0 84 0 - 7.1-9.1 HD3 LYS 96 - HG2 LYS 94 far 0 82 0 - 7.2-9.8 HD3 LYS 73 - HG3 LYS 43 far 0 99 0 - 7.4-11.8 HD3 LYS 43 - HG2 LYS 40 far 0 81 0 - 7.8-9.5 HD2 LYS 73 - HG3 LYS 43 far 0 98 0 - 8.6-12.3 HG12 ILE 71 - HG3 LYS 43 far 0 77 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 3857 from cnoeabs.peaks (1.68, 1.37, 24.91 ppm; 2.70 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 43 + HG3 LYS 43 OK 99 100 100 99 2.4-3.0 2.9=79, 3847/1.8=33...(59) HD2 LYS 43 + HG3 LYS 43 OK 98 99 100 99 2.5-3.0 2.9=79, 3847/1.8=33...(66) HD2 LYS 40 + HG2 LYS 40 OK 83 84 100 100 2.3-3.0 2.9=78, 3694/1.8=36...(49) HD3 LYS 40 + HG2 LYS 40 OK 83 83 100 100 2.3-3.0 2.9=78, 3694/1.8=36...(49) HD2 LYS 40 - HG3 LYS 43 far 15 100 15 - 4.0-7.8 HG3 ARG 95 - HG2 LYS 94 far 11 76 15 - 2.8-8.6 HD3 LYS 40 - HG3 LYS 43 lone 11 100 60 18 3.5-6.9 3654/3652=6, 1256/1253=3...(5) HD3 LYS 44 - HG2 LYS 40 poor 9 45 20 - 3.8-8.1 HG3 LYS 39 - HG2 LYS 40 far 9 58 15 - 3.8-7.8 HD2 LYS 44 - HG2 LYS 40 far 3 52 5 - 3.5-8.6 HG3 LYS 39 - HG3 LYS 43 far 0 77 0 - 4.6-6.6 HD2 LYS 96 - HG2 LYS 94 far 0 83 0 - 6.3-9.6 HD3 LYS 44 - HG3 LYS 43 far 0 61 0 - 7.1-9.8 HD2 LYS 43 - HG2 LYS 40 far 0 81 0 - 7.1-9.1 HD3 LYS 96 - HG2 LYS 94 far 0 84 0 - 7.2-9.8 HD3 LYS 73 - HG3 LYS 43 far 0 100 0 - 7.4-11.8 HD2 LYS 44 - HG3 LYS 43 far 0 70 0 - 7.8-9.8 HD3 LYS 43 - HG2 LYS 40 far 0 84 0 - 7.8-9.5 HD2 LYS 73 - HG3 LYS 43 far 0 100 0 - 8.6-12.3 HG12 ILE 71 - HG3 LYS 43 far 0 92 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (2.98, 1.37, 24.91 ppm; 3.58 A): 4 out of 14 assignments used, quality = 1.00: * HE2 LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.1-3.7 3.9=76, 3884/1.8=44...(103) HE3 LYS 43 + HG3 LYS 43 OK 99 99 100 100 2.3-3.8 3.9=76, 3884/1.8=43...(96) HE2 LYS 40 + HG2 LYS 40 OK 67 67 100 100 2.0-4.0 3.9=76, 3723/1.8=38...(60) HE3 LYS 40 + HG2 LYS 40 OK 61 61 100 100 2.2-4.0 3.9=76, 3723/1.8=38...(62) HE2 LYS 40 - HG3 LYS 43 far 13 87 15 - 4.7-8.1 HE3 LYS 39 - HG2 LYS 40 lone 2 84 25 11 3.1-9.6 1257/4.8=3, ~3696=1...(4) HE2 LYS 39 - HG2 LYS 40 lone 2 84 25 10 2.8-8.4 1257/4.8=5, 3696/1.8=2...(4) HE3 LYS 39 - HG3 LYS 43 lone 2 100 40 5 2.0-8.0 5.0/3681=2, 1257/1253=1 HE2 LYS 39 - HG3 LYS 43 lone 1 100 25 6 3.0-8.5 5.0/3681=2, 1257/1253=2 HE3 LYS 40 - HG3 LYS 43 far 0 81 0 - 5.8-8.7 HE2 LYS 43 - HG2 LYS 40 far 0 84 0 - 6.0-10.0 HE3 LYS 43 - HG2 LYS 40 far 0 81 0 - 6.4-10.0 HE2 LYS 73 - HG3 LYS 43 far 0 100 0 - 6.6-12.7 HE3 LYS 73 - HG3 LYS 43 far 0 100 0 - 7.1-11.7 Violated in 0 structures by 0.00 A. Peak 3859 from cnoeabs.peaks (2.98, 1.37, 24.91 ppm; 3.58 A): 4 out of 14 assignments used, quality = 1.00: * HE3 LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.3-3.8 3.9=76, 3884/1.8=42...(97) HE2 LYS 43 + HG3 LYS 43 OK 99 99 100 100 2.1-3.7 3.9=76, 3884/1.8=43...(103) HE2 LYS 40 + HG2 LYS 40 OK 78 78 100 100 2.0-4.0 3.9=76, 3723/1.8=44...(60) HE3 LYS 40 + HG2 LYS 40 OK 74 74 100 100 2.2-4.0 3.9=76, 3723/1.8=44...(62) HE3 LYS 39 - HG2 LYS 40 poor 20 80 25 - 3.1-9.6 HE2 LYS 40 - HG3 LYS 43 far 15 97 15 - 4.7-8.1 HE2 LYS 39 - HG2 LYS 40 lone 2 82 25 12 2.8-8.4 1257/4.8=5, 3696/1.8=2...(4) HE3 LYS 39 - HG3 LYS 43 lone 2 98 40 5 2.0-8.0 5.0/3681=2, 1257/1253=2 HE2 LYS 39 - HG3 LYS 43 lone 2 99 25 6 3.0-8.5 1257/1253=2, 5.0/3681=2 HE3 LYS 40 - HG3 LYS 43 far 0 94 0 - 5.8-8.7 HE2 LYS 43 - HG2 LYS 40 far 0 81 0 - 6.0-10.0 HE3 LYS 43 - HG2 LYS 40 far 0 84 0 - 6.4-10.0 HE2 LYS 73 - HG3 LYS 43 far 0 97 0 - 6.6-12.7 HE3 LYS 73 - HG3 LYS 43 far 0 100 0 - 7.1-11.7 Violated in 0 structures by 0.00 A. Peak 3860 from cnoeabs.peaks (7.50, 1.68, 28.78 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 43 + HD2 LYS 43 OK 100 100 100 100 3.8-4.9 1276/2.9=86, 1277/2.9=81...(21) H LYS 43 + HD3 LYS 43 OK 97 97 100 100 4.3-5.0 1276/2.9=86, 1277/2.9=81...(21) H LYS 43 - HD3 LYS 73 far 0 97 0 - 8.7-11.9 H LYS 43 - HD2 LYS 73 far 0 96 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 3861 from cnoeabs.peaks (4.09, 1.68, 28.78 ppm; 3.29 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 43 + HD2 LYS 43 OK 99 100 100 99 2.0-3.8 3814/2.9=54, 3816=45...(69) HA LYS 43 + HD3 LYS 43 OK 97 97 100 99 2.5-4.2 3814/2.9=54, 3816=45...(64) HA LYS 20 + HD3 LYS 20 OK 90 90 100 100 2.8-4.7 3063/3.0=50, 3037/3.0=50...(64) HA LYS 20 + HD2 LYS 20 OK 86 87 100 100 2.2-4.6 3063/3.0=50, 3037/3.0=50...(64) HA LYS 43 - HD3 LYS 73 far 0 97 0 - 7.2-10.7 HA LYS 43 - HD2 LYS 73 far 0 96 0 - 7.3-11.2 HA GLU 91 - HD2 LYS 96 far 0 70 0 - 7.4-9.6 HA GLU 91 - HD3 LYS 96 far 0 68 0 - 7.4-8.6 HA GLN 62 - HD3 LYS 96 far 0 60 0 - 9.5-12.4 HA GLN 62 - HD2 LYS 96 far 0 63 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3862 from cnoeabs.peaks (1.91, 1.68, 28.78 ppm; 2.72 A): 15 out of 40 assignments used, quality = 1.00: * HB2 LYS 43 + HD2 LYS 43 OK 98 100 100 98 3.1-3.8 3.8=35, 3.0/3846=22...(84) HB3 LYS 43 + HD2 LYS 43 OK 96 98 100 98 2.0-3.3 3.8=35, 3.0/3846=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 92 92 100 100 3.5-3.8 3.4=49, 1.8/6097=32...(80) HB3 LYS 43 + HD3 LYS 43 OK 92 94 100 98 2.7-3.7 3.8=35, 3.0/3846=22...(70) HB2 LYS 43 + HD3 LYS 43 OK 91 97 95 98 3.8-4.2 3.8=35, 3.0/3846=22...(80) HB2 LYS 96 + HD3 LYS 96 OK 90 90 100 100 3.5-4.1 3.4=49, 1.8/6097=32...(79) HB2 LYS 73 + HD3 LYS 73 OK 80 82 100 99 2.0-4.0 3.8=35, 2.9/5170=23...(85) HB2 LYS 73 + HD2 LYS 73 OK 78 79 100 99 2.1-3.6 3.8=35, 2.9/5170=23...(85) HB3 LYS 73 + HD3 LYS 73 OK 77 78 100 99 2.3-3.7 3.8=35, 2.9/5170=23...(83) HB3 LYS 73 + HD2 LYS 73 OK 75 76 100 99 2.1-4.2 3.8=35, 2.9/5170=23...(83) HB3 LYS 20 + HD3 LYS 20 OK 56 57 100 99 2.3-3.8 3.4=49, 2.9/3079=22...(78) HB2 LYS 20 + HD2 LYS 20 OK 53 54 100 99 2.2-4.2 3.4=49, 2.9/3079=22...(77) HB3 LYS 20 + HD2 LYS 20 OK 53 54 100 99 2.2-4.0 3.4=49, 2.9/3079=22...(77) HB2 LYS 20 + HD3 LYS 20 OK 48 57 85 99 2.0-4.2 3.4=49, 2.9/3079=22...(78) HB2 ARG 95 + HD2 LYS 96 OK 33 85 70 55 2.8-6.0 6028=13, 1.8/6036=11...(14) HB2 ARG 95 - HD3 LYS 96 poor 11 82 25 52 2.5-6.0 6028/1.8=12, 6028=10...(14) HB2 LYS 73 - HD3 LYS 43 far 0 82 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 100 0 - 6.3-8.7 HB ILE 71 - HD3 LYS 73 far 0 84 0 - 6.4-9.6 HB3 LYS 17 - HD3 LYS 20 far 0 64 0 - 6.7-9.0 HB2 LYS 73 - HD2 LYS 43 far 0 87 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 82 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 97 0 - 6.9-9.3 HB3 LYS 73 - HD2 LYS 43 far 0 84 0 - 7.0-12.3 HB3 LYS 17 - HD2 LYS 20 far 0 61 0 - 7.2-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 99 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 78 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 100 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 97 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 83 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 96 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 95 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 94 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 97 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 79 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 97 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 92 0 - 8.9-12.9 HB ILE 71 - HD2 LYS 43 far 0 90 0 - 9.4-14.0 HB ILE 71 - HD3 LYS 43 far 0 84 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 96 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3863 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 15 out of 42 assignments used, quality = 1.00: * HB3 LYS 43 + HD2 LYS 43 OK 98 100 100 98 2.0-3.3 3.8=35, 3.0/3846=22...(72) HB2 LYS 43 + HD2 LYS 43 OK 96 98 100 98 3.1-3.8 3.8=35, 3.0/3846=22...(84) HB2 LYS 96 + HD2 LYS 96 OK 96 96 100 100 3.5-3.8 3.4=49, 1.8/6097=32...(80) HB3 LYS 43 + HD3 LYS 43 OK 95 97 100 98 2.7-3.7 3.8=35, 3.0/3846=22...(70) HB2 LYS 96 + HD3 LYS 96 OK 94 94 100 100 3.5-4.1 3.4=49, 1.8/6097=32...(79) HB2 LYS 73 + HD3 LYS 73 OK 93 94 100 99 2.0-4.0 3.8=35, 2.9/5170=23...(85) HB3 LYS 73 + HD3 LYS 73 OK 91 93 100 99 2.3-3.7 3.8=35, 2.9/5170=23...(83) HB2 LYS 73 + HD2 LYS 73 OK 91 92 100 99 2.1-3.6 3.8=35, 2.9/5170=23...(85) HB3 LYS 73 + HD2 LYS 73 OK 89 90 100 99 2.1-4.2 3.8=35, 2.9/5170=23...(83) HB2 LYS 43 + HD3 LYS 43 OK 88 94 95 98 3.8-4.2 3.8=35, 3.0/3846=22...(80) HB3 LYS 20 + HD3 LYS 20 OK 75 76 100 99 2.3-3.8 3.4=49, 2.9/3079=22...(78) HB2 LYS 20 + HD2 LYS 20 OK 72 72 100 99 2.2-4.2 3.4=49, 2.9/3079=22...(78) HB3 LYS 20 + HD2 LYS 20 OK 72 72 100 99 2.2-4.0 3.4=49, 2.9/3079=22...(77) HB2 LYS 20 + HD3 LYS 20 OK 64 76 85 99 2.0-4.2 3.4=49, 2.9/3079=22...(78) HB2 ARG 95 + HD2 LYS 96 OK 38 94 70 58 2.8-6.0 6028=15, 1.8/6036=11...(14) HB2 ARG 95 - HD3 LYS 96 poor 13 92 25 55 2.5-6.0 6028/1.8=13, 6028=11...(14) HB2 LYS 73 - HD3 LYS 43 far 0 94 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 100 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 61 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 95 0 - 6.4-9.6 HB2 LYS 73 - HD2 LYS 43 far 0 98 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 93 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 97 0 - 6.9-9.3 HB3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 57 0 - 7.1-9.4 HB2 LYS 44 - HD2 LYS 43 far 0 92 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 93 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 99 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 95 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 67 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 87 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 95 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 97 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 94 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 96 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 57 0 - 9.0-13.1 HG LEU 45 - HD2 LYS 73 far 0 55 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 99 0 - 9.4-14.0 HB ILE 71 - HD3 LYS 43 far 0 95 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 92 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3864 from cnoeabs.peaks (1.51, 1.68, 28.78 ppm; 2.40 A): 4 out of 12 assignments used, quality = 1.00: * HG2 LYS 43 + HD2 LYS 43 OK 96 100 100 96 2.4-3.0 2.9=56, 3847/1.8=27...(38) HG2 LYS 43 + HD3 LYS 43 OK 93 97 100 96 2.3-2.5 2.9=56, 3846/1.8=27...(34) HG2 LYS 20 + HD3 LYS 20 OK 81 85 100 95 2.3-3.0 3.0=54, 3068/1.8=27...(39) HG2 LYS 20 + HD2 LYS 20 OK 77 81 100 95 2.4-3.0 3.0=54, 3069/1.8=27...(38) HG2 LYS 43 - HD3 LYS 73 far 0 97 0 - 6.5-10.4 HG2 LYS 43 - HD2 LYS 73 far 0 96 0 - 7.7-11.0 HG LEU 38 - HD3 LYS 43 far 0 91 0 - 7.8-9.0 HG LEU 38 - HD2 LYS 43 far 0 96 0 - 7.8-9.5 HB2 LYS 61 - HD3 LYS 96 far 0 92 0 - 8.0-12.2 HD3 LYS 17 - HD2 LYS 20 far 0 85 0 - 8.0-11.2 HD3 LYS 17 - HD3 LYS 20 far 0 89 0 - 8.4-10.6 HB2 LYS 61 - HD2 LYS 96 far 0 94 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 3865 from cnoeabs.peaks (1.37, 1.68, 28.78 ppm; 3.06 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 43 + HD2 LYS 43 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 43 + HD3 LYS 43 OK 97 97 100 100 2.4-3.0 2.9=100 HG2 LYS 94 - HD2 LYS 96 far 0 96 0 - 6.3-9.6 HG2 LYS 40 - HD2 LYS 43 far 0 94 0 - 7.1-9.1 HG2 LYS 94 - HD3 LYS 96 far 0 94 0 - 7.2-9.8 HG3 LYS 43 - HD3 LYS 73 far 0 97 0 - 7.4-11.8 HB3 LEU 68 - HD3 LYS 73 far 0 84 0 - 7.4-11.9 HG2 LYS 40 - HD3 LYS 43 far 0 89 0 - 7.8-9.5 HG3 LYS 43 - HD2 LYS 73 far 0 96 0 - 8.6-12.3 HB3 LEU 68 - HD2 LYS 73 far 0 82 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. 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): 12 out of 35 assignments used, quality = 1.00: * HE2 LYS 43 + HD2 LYS 43 OK 94 100 100 94 2.5-3.0 3.0=62, 3884/2.9=17...(50) HE2 LYS 73 + HD3 LYS 73 OK 92 97 100 95 2.3-3.0 2.9=66, 5198/3.0=18...(47) HE3 LYS 43 + HD2 LYS 43 OK 92 99 100 93 2.3-3.0 3.0=62, 3884/2.9=17...(44) HE3 LYS 73 + HD3 LYS 73 OK 91 97 100 95 2.5-3.0 2.9=66, 5198/3.0=17...(39) HE2 LYS 43 + HD3 LYS 43 OK 91 97 100 94 2.3-3.0 3.0=62, 3884/2.9=17...(48) HE2 LYS 73 + HD2 LYS 73 OK 91 95 100 95 2.5-3.0 2.9=66, 5198/3.0=18...(47) HE3 LYS 73 + HD2 LYS 73 OK 90 95 100 95 2.3-3.0 2.9=66, 5198/3.0=17...(39) HE3 LYS 43 + HD3 LYS 43 OK 88 95 100 92 2.5-3.0 3.0=62, 3884/2.9=17...(42) HE3 LYS 20 + HD3 LYS 20 OK 57 60 100 94 2.4-3.0 3.0=62, 3.9/3079=12...(47) HE2 LYS 20 + HD3 LYS 20 OK 57 60 100 94 2.3-3.0 3.0=62, 3.9/3079=12...(47) HE3 LYS 20 + HD2 LYS 20 OK 54 57 100 94 2.3-3.0 3.0=62, 3.9/3079=12...(47) HE2 LYS 20 + HD2 LYS 20 OK 54 57 100 94 2.4-3.0 3.0=62, 3.9/3079=12...(47) HE3 LYS 39 - HD2 LYS 43 far 5 100 5 - 3.2-10.9 HE3 LYS 39 - HD3 LYS 43 far 5 97 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 97 5 - 3.9-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 97 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 100 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 97 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 100 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 95 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 100 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 67 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 97 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 87 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 70 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 81 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 93 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 96 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 67 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 82 0 - 7.0-10.8 HB3 ASN 24 - HD3 LYS 20 far 0 70 0 - 7.7-13.6 HE3 LYS 40 - HD3 LYS 43 far 0 75 0 - 8.3-11.3 HD3 ARG 118 - HD3 LYS 20 far 0 81 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 77 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 97 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3869 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 35 assignments used, quality = 1.00: HE2 LYS 43 + HD2 LYS 43 OK 93 99 100 94 2.5-3.0 3.0=62, 3884/2.9=17...(50) * HE3 LYS 43 + HD2 LYS 43 OK 93 100 100 93 2.3-3.0 3.0=62, 3884/2.9=16...(44) HE3 LYS 73 + HD3 LYS 73 OK 92 97 100 94 2.5-3.0 2.9=66, 5207/3.0=17...(39) HE3 LYS 43 + HD3 LYS 43 OK 90 97 100 92 2.5-3.0 3.0=62, 3884/2.9=16...(42) HE3 LYS 73 + HD2 LYS 73 OK 90 95 100 94 2.3-3.0 2.9=66, 5207/3.0=17...(39) HE2 LYS 43 + HD3 LYS 43 OK 89 95 100 94 2.3-3.0 3.0=62, 3884/2.9=17...(48) HE2 LYS 73 + HD3 LYS 73 OK 88 93 100 95 2.3-3.0 2.9=66, 5198/3.0=17...(47) HE2 LYS 73 + HD2 LYS 73 OK 86 90 100 95 2.5-3.0 2.9=66, 5198/3.0=17...(47) HE3 LYS 20 + HD3 LYS 20 OK 72 76 100 94 2.4-3.0 3.0=62, 3.9/3079=12...(47) HE2 LYS 20 + HD3 LYS 20 OK 72 76 100 94 2.3-3.0 3.0=62, 3.9/3079=12...(47) HE3 LYS 20 + HD2 LYS 20 OK 68 72 100 95 2.3-3.0 3.0=62, 3.9/3079=12...(47) HE2 LYS 20 + HD2 LYS 20 OK 68 72 100 94 2.4-3.0 3.0=62, 3.9/3079=12...(47) HE3 LYS 39 - HD2 LYS 43 far 5 98 5 - 3.2-10.9 HE3 LYS 39 - HD3 LYS 43 far 5 94 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 93 5 - 3.9-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 97 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 99 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 96 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 97 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 97 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 100 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 79 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 95 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 97 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 83 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 94 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 96 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 93 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 79 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 93 0 - 7.0-10.8 HB3 ASN 24 - HD3 LYS 20 far 0 83 0 - 7.7-13.6 HE3 LYS 40 - HD3 LYS 43 far 0 89 0 - 8.3-11.3 HD3 ARG 118 - HD3 LYS 20 far 0 89 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 85 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 94 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3870 from cnoeabs.peaks (7.50, 1.68, 28.78 ppm; 5.00 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 43 + HD3 LYS 43 OK 100 100 100 100 4.3-5.0 1276/2.9=86, 1277/2.9=81...(21) H LYS 43 + HD2 LYS 43 OK 97 97 100 100 3.8-4.9 1276/2.9=86, 1277/2.9=81...(21) H LYS 43 - HG12 ILE 71 far 0 78 0 - 6.7-9.9 H LYS 43 - HD3 LYS 73 far 0 100 0 - 8.7-11.9 H LYS 43 - HD2 LYS 73 far 0 100 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 3871 from cnoeabs.peaks (4.09, 1.68, 28.78 ppm; 3.29 A): 4 out of 11 assignments used, quality = 1.00: * HA LYS 43 + HD3 LYS 43 OK 99 100 100 99 2.5-4.2 3814/2.9=54, 3817=45...(64) HA LYS 20 + HD3 LYS 20 OK 99 99 100 100 2.8-4.7 3063/3.0=50, 3037/3.0=50...(64) HA LYS 20 + HD2 LYS 20 OK 98 99 100 100 2.2-4.6 3063/3.0=50, 3037/3.0=50...(64) HA LYS 43 + HD2 LYS 43 OK 97 97 100 99 2.0-3.8 3814/2.9=54, 3817=45...(69) HA LYS 43 - HD3 LYS 73 far 0 100 0 - 7.2-10.7 HA LYS 43 - HD2 LYS 73 far 0 100 0 - 7.3-11.2 HA GLU 91 - HD2 LYS 96 far 0 69 0 - 7.4-9.6 HA GLU 91 - HD3 LYS 96 far 0 71 0 - 7.4-8.6 HA LYS 43 - HG12 ILE 71 far 0 78 0 - 8.1-10.8 HA GLN 62 - HD3 LYS 96 far 0 63 0 - 9.5-12.4 HA GLN 62 - HD2 LYS 96 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3872 from cnoeabs.peaks (1.91, 1.68, 28.78 ppm; 2.72 A): 16 out of 46 assignments used, quality = 1.00: HB3 LYS 43 + HD3 LYS 43 OK 96 98 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 43 + HD2 LYS 43 OK 96 97 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) * HB2 LYS 43 + HD3 LYS 43 OK 93 100 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 96 + HD3 LYS 96 OK 93 93 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB3 LYS 43 + HD2 LYS 43 OK 92 94 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 91 91 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB2 LYS 73 + HD3 LYS 73 OK 86 87 100 99 2.0-4.0 3.8=35, 2.9/5187=25...(85) HB2 LYS 73 + HD2 LYS 73 OK 86 87 100 99 2.1-3.6 3.8=35, 2.9/5187=25...(85) HB3 LYS 73 + HD3 LYS 73 OK 83 84 100 99 2.3-3.7 3.8=35, 2.9/5187=25...(83) HB3 LYS 73 + HD2 LYS 73 OK 83 84 100 99 2.1-4.2 3.8=35, 2.9/5187=25...(83) HB3 LYS 20 + HD3 LYS 20 OK 67 68 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 66 66 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(77) HB3 LYS 20 + HD2 LYS 20 OK 66 66 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(77) HB ILE 71 + HG12 ILE 71 OK 57 64 100 89 2.4-3.0 3.0=73, ~5107=18...(8) HB2 LYS 20 + HD3 LYS 20 OK 57 68 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB2 ARG 95 + HD2 LYS 96 OK 32 84 70 55 2.8-6.0 6028=12, 1.8/6036=10...(14) HB2 ARG 95 - HD3 LYS 96 poor 11 86 25 52 2.5-6.0 6028/1.8=12, 6028=9...(14) HB2 LYS 73 - HD3 LYS 43 far 0 87 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 97 0 - 6.3-8.7 HB ILE 71 - HD3 LYS 73 far 0 90 0 - 6.4-9.6 HB3 LYS 17 - HD3 LYS 20 far 0 75 0 - 6.7-9.0 HB3 LYS 73 - HG12 ILE 71 far 0 59 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 82 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 89 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 100 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 77 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 78 0 - 7.0-12.3 HB2 LYS 73 - HG12 ILE 71 far 0 62 0 - 7.1-9.0 HB3 LYS 17 - HD2 LYS 20 far 0 74 0 - 7.2-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 96 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 84 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 97 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 100 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 94 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 99 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 100 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 98 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 100 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 93 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 100 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 98 0 - 8.9-12.9 HB2 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.1-12.1 HB ILE 71 - HD2 LYS 43 far 0 84 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 78 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 90 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3873 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 16 out of 49 assignments used, quality = 1.00: * HB3 LYS 43 + HD3 LYS 43 OK 98 100 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 73 + HD3 LYS 73 OK 97 98 100 99 2.0-4.0 3.8=35, 2.9/5187=25...(85) HB2 LYS 73 + HD2 LYS 73 OK 97 98 100 99 2.1-3.6 3.8=35, 2.9/5187=25...(85) HB2 LYS 96 + HD3 LYS 96 OK 96 97 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB3 LYS 73 + HD3 LYS 73 OK 96 97 100 99 2.3-3.7 3.8=35, 2.9/5187=25...(83) HB3 LYS 73 + HD2 LYS 73 OK 96 97 100 99 2.1-4.2 3.8=35, 2.9/5187=25...(83) HB3 LYS 43 + HD2 LYS 43 OK 95 97 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 95 95 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB2 LYS 43 + HD2 LYS 43 OK 92 94 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB2 LYS 43 + HD3 LYS 43 OK 91 98 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB3 LYS 20 + HD3 LYS 20 OK 87 88 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 85 86 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 85 86 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(77) HB2 LYS 20 + HD3 LYS 20 OK 74 88 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB ILE 71 + HG12 ILE 71 OK 67 75 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(9) HB2 ARG 95 + HD2 LYS 96 OK 37 94 70 57 2.8-6.0 6028=14, 1.8/6036=10...(14) HB2 ARG 95 - HD3 LYS 96 poor 13 95 25 55 2.5-6.0 6028/1.8=13, 6028=10...(14) HG LEU 45 - HG12 ILE 71 far 0 41 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 98 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 97 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 57 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 99 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 73 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 94 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 99 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 100 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 77 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 93 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 61 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 74 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 87 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 95 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 99 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 79 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 92 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 100 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 100 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 100 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 77 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 98 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 100 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 61 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 74 0 - 9.1-12.1 HG LEU 45 - HD2 LYS 73 far 0 61 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 95 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 75 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 99 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 98 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3874 from cnoeabs.peaks (1.51, 1.68, 28.78 ppm; 2.40 A): 4 out of 17 assignments used, quality = 1.00: * HG2 LYS 43 + HD3 LYS 43 OK 96 100 100 96 2.3-2.5 2.9=56, 3846/1.8=27...(34) HG2 LYS 43 + HD2 LYS 43 OK 94 97 100 96 2.4-3.0 2.9=56, 3847/1.8=27...(38) HG2 LYS 20 + HD3 LYS 20 OK 91 96 100 96 2.3-3.0 3.0=54, 1.8/3079=28...(39) HG2 LYS 20 + HD2 LYS 20 OK 90 94 100 95 2.4-3.0 3.0=54, 1.8/3079=28...(39) HB2 LEU 6 - HG12 ILE 71 far 0 75 0 - 4.5-6.6 HG LEU 6 - HG12 ILE 71 far 0 73 0 - 5.2-7.0 HG2 LYS 43 - HD3 LYS 73 far 0 100 0 - 6.5-10.4 HG LEU 38 - HG12 ILE 71 far 0 71 0 - 6.9-9.3 HG2 LYS 43 - HD2 LYS 73 far 0 100 0 - 7.7-11.0 HG LEU 38 - HD3 LYS 43 far 0 96 0 - 7.8-9.0 HG LEU 38 - HD2 LYS 43 far 0 91 0 - 7.8-9.5 HB2 LYS 61 - HD3 LYS 96 far 0 95 0 - 8.0-12.2 HD3 LYS 17 - HD2 LYS 20 far 0 97 0 - 8.0-11.2 HG2 LYS 43 - HG12 ILE 71 far 0 78 0 - 8.2-10.5 HD3 LYS 17 - HD3 LYS 20 far 0 98 0 - 8.4-10.6 HB2 LYS 61 - HD2 LYS 96 far 0 94 0 - 8.8-12.1 QB ALA 124 - HG12 ILE 71 far 0 69 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 3875 from cnoeabs.peaks (1.37, 1.68, 28.78 ppm; 3.06 A): 3 out of 12 assignments used, quality = 1.00: * HG3 LYS 43 + HD3 LYS 43 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 43 + HD2 LYS 43 OK 97 97 100 100 2.5-3.0 2.9=100 HB3 LEU 68 + HG12 ILE 71 OK 45 64 80 87 3.9-6.6 3.1/11075=22, ~9760=19...(15) HG2 LYS 94 - HD2 LYS 96 far 0 95 0 - 6.3-9.6 HG2 LYS 40 - HD2 LYS 43 far 0 89 0 - 7.1-9.1 HG2 LYS 94 - HD3 LYS 96 far 0 96 0 - 7.2-9.8 HG3 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.4-11.8 HB3 LEU 68 - HD3 LYS 73 far 0 90 0 - 7.4-11.9 HG2 LYS 40 - HD3 LYS 43 far 0 94 0 - 7.8-9.5 HG3 LYS 43 - HD2 LYS 73 far 0 100 0 - 8.6-12.3 HB3 LEU 68 - HD2 LYS 73 far 0 89 0 - 8.8-12.7 HG3 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. 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 38 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 95 100 100 95 2.3-3.0 2.9=66, 5198/3.0=18...(47) HE2 LYS 73 + HD2 LYS 73 OK 95 100 100 95 2.5-3.0 2.9=66, 5198/3.0=18...(47) HE3 LYS 73 + HD3 LYS 73 OK 94 100 100 95 2.5-3.0 2.9=66, 5198/3.0=17...(39) HE3 LYS 73 + HD2 LYS 73 OK 94 100 100 95 2.3-3.0 2.9=66, 5198/3.0=17...(39) * HE2 LYS 43 + HD3 LYS 43 OK 94 100 100 94 2.3-3.0 3.0=62, 3884/2.9=17...(48) HE2 LYS 43 + HD2 LYS 43 OK 91 97 100 94 2.5-3.0 3.0=62, 3884/2.9=17...(50) HE3 LYS 43 + HD3 LYS 43 OK 91 99 100 92 2.5-3.0 3.0=62, 3884/2.9=17...(42) HE3 LYS 43 + HD2 LYS 43 OK 88 95 100 93 2.3-3.0 3.0=62, 3884/2.9=17...(44) HE3 LYS 20 + HD3 LYS 20 OK 68 71 100 94 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD3 LYS 20 OK 68 71 100 94 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 20 + HD2 LYS 20 OK 66 70 100 94 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD2 LYS 20 OK 66 70 100 94 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 39 - HD3 LYS 43 far 5 100 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 100 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 5 97 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 97 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 97 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 99 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 97 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 80 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 82 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 82 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 75 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 99 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 80 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 87 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 77 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 82 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 78 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 81 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 92 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 91 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 100 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3879 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 38 assignments used, quality = 1.00: HE3 LYS 73 + HD3 LYS 73 OK 94 100 100 94 2.5-3.0 2.9=66, 5207/3.0=17...(39) HE3 LYS 73 + HD2 LYS 73 OK 94 100 100 94 2.3-3.0 2.9=66, 5207/3.0=17...(39) HE2 LYS 43 + HD3 LYS 43 OK 93 99 100 94 2.3-3.0 3.0=62, 3884/2.9=17...(48) * HE3 LYS 43 + HD3 LYS 43 OK 92 100 100 92 2.5-3.0 3.0=62, 3884/2.9=16...(42) HE2 LYS 73 + HD3 LYS 73 OK 92 97 100 95 2.3-3.0 2.9=66, 5198/3.0=17...(47) HE2 LYS 73 + HD2 LYS 73 OK 92 97 100 95 2.5-3.0 2.9=66, 5198/3.0=17...(47) HE3 LYS 43 + HD2 LYS 43 OK 90 97 100 93 2.3-3.0 3.0=62, 3884/2.9=16...(44) HE2 LYS 43 + HD2 LYS 43 OK 89 95 100 94 2.5-3.0 3.0=62, 3884/2.9=17...(50) HE3 LYS 20 + HD3 LYS 20 OK 83 88 100 95 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD3 LYS 20 OK 83 88 100 95 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 20 + HD2 LYS 20 OK 82 86 100 95 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD2 LYS 20 OK 82 86 100 95 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 39 - HD3 LYS 43 far 5 98 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 97 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 5 94 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 96 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 99 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 93 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 100 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 97 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 93 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 99 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 93 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 94 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 89 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 99 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 93 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 97 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 78 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 94 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 73 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 94 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 75 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 98 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 98 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (1.91, 2.98, 41.78 ppm; 3.34 A): 8 out of 43 assignments used, quality = 1.00: HB3 LYS 43 + HE2 LYS 43 OK 97 98 100 99 1.9-4.6 4.7=37, 3.0/3884=30...(78) HB3 LYS 43 + HE3 LYS 43 OK 93 94 100 99 2.5-4.5 4.7=37, 3.0/3884=29...(76) * HB2 LYS 43 + HE2 LYS 43 OK 84 100 85 99 3.4-5.4 4.7=37, 3.0/3884=30...(84) HB2 LYS 43 + HE3 LYS 43 OK 82 97 85 99 3.0-5.2 4.7=37, 3.0/3884=29...(82) HB2 LYS 73 + HE3 LYS 73 OK 80 85 95 99 3.5-5.0 4.9=32, 2.9/5198=31...(79) HB3 LYS 73 + HE2 LYS 73 OK 70 83 85 99 3.8-5.1 4.9=32, 2.9/5198=32...(79) HB3 LYS 73 + HE3 LYS 73 OK 69 82 85 99 3.8-5.1 4.9=32, 2.9/5198=31...(77) HB2 LYS 73 + HE2 LYS 73 OK 64 86 75 99 2.6-5.5 4.9=32, 2.9/5198=32...(81) HB3 LYS 43 - HE3 LYS 39 far 15 98 15 - 3.6-10.4 HB2 LYS 43 - HE2 LYS 39 far 10 100 10 - 3.6-9.3 HB3 LYS 43 - HE2 LYS 39 far 10 98 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 40 far 7 73 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 100 25 3 3.5-9.3 6081/1257=1 HB2 LYS 43 - HE3 LYS 40 far 0 63 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 69 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 59 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 73 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 63 0 - 5.8-9.9 HB2 LYS 44 - HE2 LYS 40 far 0 71 0 - 6.2-9.0 HB2 LYS 44 - HE3 LYS 40 far 0 61 0 - 6.3-9.4 HB2 LEU 45 - HE2 LYS 43 far 0 100 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 100 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 99 0 - 6.6-11.0 HB2 LYS 44 - HE2 LYS 39 far 0 99 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 97 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 87 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 98 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 97 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 100 0 - 7.4-11.0 HB2 LYS 44 - HE3 LYS 39 far 0 99 0 - 7.5-12.8 HB3 LYS 73 - HE3 LYS 43 far 0 78 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 99 0 - 7.7-13.1 HB2 LYS 43 - HE2 LYS 73 far 0 100 0 - 7.8-14.1 HB3 LYS 73 - HE2 LYS 43 far 0 84 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 89 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 88 0 - 7.8-11.1 HB2 LYS 73 - HE3 LYS 43 far 0 82 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 99 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 100 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 96 0 - 8.2-10.5 HB3 LYS 44 - HE3 LYS 43 far 0 97 0 - 8.6-10.7 HB3 LYS 44 - HE3 LYS 73 far 0 99 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3883 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.34 A): 8 out of 50 assignments used, quality = 1.00: * HB3 LYS 43 + HE2 LYS 43 OK 99 100 100 99 1.9-4.6 4.7=37, 3.0/3884=30...(78) HB3 LYS 43 + HE3 LYS 43 OK 96 97 100 99 2.5-4.5 4.7=37, 3.0/3884=29...(76) HB2 LYS 73 + HE3 LYS 73 OK 91 97 95 99 3.5-5.0 4.9=32, 2.9/5198=31...(79) HB2 LYS 43 + HE2 LYS 43 OK 83 98 85 99 3.4-5.4 4.7=37, 3.0/3884=30...(84) HB3 LYS 73 + HE2 LYS 73 OK 81 96 85 99 3.8-5.1 4.9=32, 2.9/5198=32...(79) HB3 LYS 73 + HE3 LYS 73 OK 81 96 85 99 3.8-5.1 4.9=32, 2.9/5198=31...(77) HB2 LYS 43 + HE3 LYS 43 OK 79 94 85 99 3.0-5.2 4.7=37, 3.0/3884=29...(82) HB2 LYS 73 + HE2 LYS 73 OK 73 98 75 100 2.6-5.5 4.9=32, 2.9/5198=32...(81) HB3 LYS 43 - HE3 LYS 39 far 15 100 15 - 3.6-10.4 HB3 LYS 43 - HE2 LYS 39 far 10 100 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 39 far 10 98 10 - 3.6-9.3 HB2 LYS 43 - HE2 LYS 40 far 7 69 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 98 25 3 3.5-9.3 6081/1257=1 HB2 LYS 43 - HE3 LYS 40 far 0 59 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 73 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 63 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 70 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 60 0 - 5.8-9.9 HB2 LYS 44 - HE2 LYS 40 far 0 62 0 - 6.2-9.0 HB2 LYS 44 - HE3 LYS 40 far 0 52 0 - 6.3-9.4 HB2 LEU 45 - HE2 LYS 43 far 0 100 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 99 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 92 0 - 6.6-11.0 HG LEU 45 - HE2 LYS 43 far 0 61 0 - 6.7-10.5 HB2 LYS 44 - HE2 LYS 39 far 0 92 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 99 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 98 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 100 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 97 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 99 0 - 7.4-11.0 HB2 LYS 44 - HE3 LYS 39 far 0 92 0 - 7.5-12.8 HB3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 97 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 57 0 - 7.7-11.0 HB2 LYS 43 - HE2 LYS 73 far 0 98 0 - 7.8-14.1 HB3 LYS 73 - HE2 LYS 43 far 0 97 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 98 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 98 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 60 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 94 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 99 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 99 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 87 0 - 8.2-10.5 HB3 LYS 44 - HE3 LYS 43 far 0 95 0 - 8.6-10.7 HG LEU 45 - HE2 LYS 73 far 0 61 0 - 8.6-14.9 HG LEU 45 - HE3 LYS 39 far 0 61 0 - 9.4-14.4 HG LEU 45 - HE2 LYS 39 far 0 61 0 - 9.4-14.8 HG LEU 45 - HE2 LYS 40 far 0 38 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 98 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3884 from cnoeabs.peaks (1.51, 2.98, 41.78 ppm; 3.00 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 43 + HE2 LYS 43 OK 99 100 100 99 2.5-3.8 3.9=45, 3846/3.0=27...(79) HG2 LYS 43 + HE3 LYS 43 OK 96 97 100 99 2.6-4.2 3.9=45, 3846/3.0=27...(74) HG2 LYS 43 - HE3 LYS 39 far 15 100 15 - 3.5-9.1 HG2 LYS 43 - HE2 LYS 39 far 5 100 5 - 4.1-9.5 HG LEU 38 - HE3 LYS 39 far 0 95 0 - 5.2-7.9 HG2 LYS 43 - HE2 LYS 73 far 0 100 0 - 5.5-11.5 HG2 LYS 43 - HE2 LYS 40 far 0 73 0 - 5.6-9.5 HG LEU 38 - HE2 LYS 39 far 0 95 0 - 5.6-8.9 HG2 LYS 43 - HE3 LYS 73 far 0 99 0 - 5.7-10.6 HG LEU 38 - HE2 LYS 43 far 0 96 0 - 6.3-9.5 HG2 LYS 43 - HE3 LYS 40 far 0 63 0 - 6.7-10.2 HG LEU 38 - HE3 LYS 43 far 0 91 0 - 7.0-10.4 HG LEU 38 - HE2 LYS 40 far 0 66 0 - 7.2-10.3 HG LEU 38 - HE3 LYS 40 far 0 56 0 - 7.5-11.2 HG LEU 38 - HE2 LYS 73 far 0 95 0 - 9.8-13.8 Violated in 8 structures by 0.09 A. Peak 3885 from cnoeabs.peaks (1.37, 2.98, 41.78 ppm; 2.97 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 43 + HE2 LYS 43 OK 99 100 100 99 2.1-3.7 3.9=44, 1.8/3884=34...(77) HG3 LYS 43 + HE3 LYS 43 OK 96 97 100 98 2.3-3.8 3.9=44, 1.8/3884=33...(70) HG2 LYS 40 + HE2 LYS 40 OK 63 64 100 99 2.0-4.0 3.9=43, ~3733=21...(58) HG2 LYS 40 + HE3 LYS 40 OK 54 54 100 99 2.2-4.0 3.9=43, ~3733=21...(61) HG3 LYS 43 - HE2 LYS 39 poor 20 100 20 - 3.0-8.5 HG2 LYS 40 - HE2 LYS 39 poor 19 94 20 - 2.8-8.4 HG2 LYS 40 - HE3 LYS 39 poor 19 94 20 - 3.1-9.6 HG3 LYS 43 - HE3 LYS 39 lone 1 100 25 4 2.0-8.0 3681/5.0=2 HG3 LYS 43 - HE2 LYS 40 far 0 73 0 - 4.7-8.1 HG3 LYS 43 - HE3 LYS 40 far 0 63 0 - 5.8-8.7 HG2 LYS 40 - HE2 LYS 43 far 0 94 0 - 6.0-10.0 HG2 LYS 40 - HE3 LYS 43 far 0 89 0 - 6.4-10.0 HG3 LYS 43 - HE2 LYS 73 far 0 100 0 - 6.6-12.7 HG3 LYS 43 - HE3 LYS 73 far 0 99 0 - 7.1-11.7 HB3 LEU 68 - HE2 LYS 73 far 0 89 0 - 8.0-13.7 HB3 LEU 68 - HE3 LYS 73 far 0 88 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 3886 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 12 out of 40 assignments used, quality = 1.00: HD3 LYS 73 + HE2 LYS 73 OK 90 98 100 91 2.3-3.0 2.9=56, 3.0/5198=16...(41) * HD2 LYS 43 + HE2 LYS 43 OK 90 100 100 90 2.5-3.0 3.0=52, 2.9/3884=15...(44) HD2 LYS 73 + HE2 LYS 73 OK 89 98 100 91 2.5-3.0 2.9=56, 3.0/5198=16...(41) HD3 LYS 73 + HE3 LYS 73 OK 89 98 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(39) HD3 LYS 43 + HE2 LYS 43 OK 88 99 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD2 LYS 73 + HE3 LYS 73 OK 88 97 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(39) HD2 LYS 43 + HE3 LYS 43 OK 86 97 100 88 2.3-3.0 3.0=52, 2.9/3884=15...(42) HD3 LYS 43 + HE3 LYS 43 OK 84 95 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HD3 LYS 40 + HE2 LYS 40 OK 66 73 100 91 2.3-3.0 3.0=53, 3717/1.8=13...(36) HD2 LYS 40 + HE2 LYS 40 OK 66 72 100 91 2.3-3.0 3.0=53, 3717/1.8=13...(36) HD3 LYS 40 + HE3 LYS 40 OK 57 62 100 91 2.6-3.0 3.0=53, 3717/1.8=13...(36) HD2 LYS 40 + HE3 LYS 40 OK 56 62 100 91 2.2-3.0 3.0=53, 3717/1.8=13...(36) HD3 LYS 40 - HE3 LYS 39 poor 20 100 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 15 100 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 100 10 - 2.0-8.3 HD2 LYS 43 - HE3 LYS 39 far 5 100 5 - 3.2-10.9 HD3 LYS 43 - HE3 LYS 39 far 5 99 5 - 3.9-10.6 HD3 LYS 40 - HE2 LYS 39 lone 1 100 25 4 2.7-7.3 3701/5.0=1 HD3 LYS 43 - HE2 LYS 73 far 0 98 0 - 3.9-10.9 HD3 LYS 43 - HE3 LYS 73 far 0 98 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 97 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 100 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 100 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 97 0 - 4.9-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 5.2-10.6 HD2 LYS 43 - HE2 LYS 73 far 0 100 0 - 5.3-12.5 HD2 LYS 40 - HE2 LYS 43 far 0 100 0 - 5.4-9.4 HD3 LYS 73 - HE3 LYS 43 far 0 95 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 99 0 - 5.7-11.1 HD3 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 73 0 - 6.5-10.5 HD2 LYS 43 - HE3 LYS 40 far 0 63 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 94 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 98 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 70 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 75 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 76 0 - 8.0-10.8 HD3 LYS 43 - HE3 LYS 40 far 0 60 0 - 8.3-11.3 HG12 ILE 71 - HE2 LYS 43 far 0 77 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 99 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3887 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 14 out of 58 assignments used, quality = 1.00: HD3 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.3-3.0 2.9=56, 3.0/5198=16...(41) HD2 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.5-3.0 2.9=56, 3.0/5198=16...(41) HD3 LYS 73 + HE3 LYS 73 OK 90 99 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 90 99 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(39) * HD3 LYS 43 + HE2 LYS 43 OK 89 100 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD2 LYS 43 + HE2 LYS 43 OK 89 99 100 90 2.5-3.0 3.0=52, 2.9/3884=15...(44) HD3 LYS 43 + HE3 LYS 43 OK 86 97 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 43 + HE3 LYS 43 OK 84 95 100 88 2.3-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 40 + HE2 LYS 40 OK 66 73 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE2 LYS 40 OK 66 72 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD2 LYS 40 + HE3 LYS 40 OK 57 62 100 91 2.2-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE3 LYS 40 OK 56 62 100 91 2.6-3.0 3.0=53, 3707/1.8=13...(36) HG3 LYS 39 + HE2 LYS 39 OK 53 77 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(41) HG3 LYS 39 + HE3 LYS 39 OK 43 77 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD3 LYS 40 - HE3 LYS 39 poor 20 100 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 15 100 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 100 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 5 100 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 5 99 5 - 3.2-10.9 HD3 LYS 40 - HE2 LYS 39 lone 1 100 25 4 2.7-7.3 3701/5.0=1 HG3 LYS 39 - HE3 LYS 40 far 0 41 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 100 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 49 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 99 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 97 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 100 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 97 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 77 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 38 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 31 0 - 5.2-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 100 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 72 0 - 5.2-9.2 HD2 LYS 43 - HE2 LYS 73 far 0 98 0 - 5.3-12.5 HD2 LYS 40 - HE2 LYS 43 far 0 100 0 - 5.4-9.4 HD3 LYS 73 - HE3 LYS 43 far 0 97 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 98 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 36 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 44 0 - 6.1-10.7 HD3 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 70 0 - 6.5-10.5 HD2 LYS 43 - HE3 LYS 40 far 0 60 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 97 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 73 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 61 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 61 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 90 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 91 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 70 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 69 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 63 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 69 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 57 0 - 8.6-11.5 HD3 LYS 44 - HE2 LYS 43 far 0 61 0 - 8.7-12.0 HD2 LYS 44 - HE3 LYS 43 far 0 64 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 92 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 100 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3888 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 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): 4 out of 10 assignments used, quality = 1.00: * HA LYS 43 + HE3 LYS 43 OK 100 100 100 100 3.1-5.2 3814/3.9=98, 6.6=83...(63) HA LYS 43 + HE2 LYS 43 OK 97 97 100 100 2.1-5.3 3814/3.9=98, 6.6=83...(64) HA LYS 20 + HE2 LYS 20 OK 78 78 100 100 2.2-6.0 3063/3.9=97, 3037/3.9=97...(55) HA LYS 20 + HE3 LYS 20 OK 78 78 100 100 2.4-6.0 3063/3.9=97, 3037/3.9=97...(55) HA LYS 43 - HE2 LYS 40 far 14 93 15 - 7.4-10.3 HA LYS 43 - HE2 LYS 39 far 10 99 10 - 6.2-11.8 HA LYS 43 - HE2 LYS 73 lone 2 93 60 3 5.4-12.3 HA LYS 43 - HE3 LYS 73 lone 2 100 55 3 5.1-11.2 HA LYS 43 - HE3 LYS 39 lone 1 96 30 3 5.4-11.5 HA LYS 43 - HE3 LYS 40 far 0 87 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (1.91, 2.98, 41.78 ppm; 3.34 A): 12 out of 51 assignments used, quality = 1.00: HB3 LYS 43 + HE3 LYS 43 OK 97 98 100 99 2.5-4.5 4.7=37, 3.0/3884=27...(77) HB3 LYS 43 + HE2 LYS 43 OK 93 94 100 99 1.9-4.6 4.7=37, 3.0/3884=28...(78) * HB2 LYS 43 + HE3 LYS 43 OK 84 100 85 99 3.0-5.2 4.7=37, 3.0/3884=27...(83) HB2 LYS 43 + HE2 LYS 43 OK 82 97 85 99 3.4-5.4 4.7=37, 3.0/3884=28...(85) HB2 LYS 73 + HE3 LYS 73 OK 81 86 95 99 3.5-5.0 4.9=32, 2.9/5207=31...(79) HB3 LYS 73 + HE3 LYS 73 OK 70 83 85 99 3.8-5.1 4.9=32, 2.9/5207=31...(77) HB3 LYS 73 + HE2 LYS 73 OK 62 73 85 99 3.8-5.1 4.9=32, 2.9/5207=30...(79) HB2 LYS 73 + HE2 LYS 73 OK 57 76 75 99 2.6-5.5 4.9=32, 2.9/5207=30...(81) HB3 LYS 20 + HE2 LYS 20 OK 45 47 95 99 2.2-5.1 4.8=33, 2.9/3070=22...(104) HB2 LYS 20 + HE2 LYS 20 OK 42 47 90 99 2.4-5.5 4.8=33, 2.9/3070=22...(104) HB2 LYS 20 + HE3 LYS 20 OK 42 47 90 99 3.2-5.1 4.8=33, 2.9/3070=22...(104) HB3 LYS 20 + HE3 LYS 20 OK 38 47 80 99 2.1-5.1 4.8=33, 2.9/3070=22...(104) HB3 LYS 43 - HE3 LYS 39 far 14 92 15 - 3.6-10.4 HB2 LYS 43 - HE2 LYS 39 far 10 99 10 - 3.6-9.3 HB3 LYS 43 - HE2 LYS 39 far 10 96 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 40 far 9 93 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 96 25 3 3.5-9.3 6081/1257=1 HB2 LYS 43 - HE3 LYS 40 far 0 87 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 89 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 83 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 93 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 87 0 - 5.8-9.9 HB2 LYS 44 - HE2 LYS 40 far 0 92 0 - 6.2-9.0 HB2 LYS 44 - HE3 LYS 40 far 0 85 0 - 6.3-9.4 HB2 LEU 45 - HE2 LYS 43 far 0 97 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 96 0 - 6.4-14.0 HB3 LYS 17 - HE3 LYS 20 far 0 53 0 - 6.4-10.7 HB3 LYS 17 - HE2 LYS 20 far 0 53 0 - 6.4-10.4 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 96 0 - 6.6-11.0 HB2 LYS 44 - HE2 LYS 39 far 0 97 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 98 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 82 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 89 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 100 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 97 0 - 7.4-11.0 HB ILE 15 - HE3 LYS 20 far 0 71 0 - 7.5-14.2 HB2 LYS 44 - HE3 LYS 39 far 0 94 0 - 7.5-12.8 HB ILE 15 - HE2 LYS 20 far 0 71 0 - 7.6-14.0 HB3 LYS 73 - HE3 LYS 43 far 0 84 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 100 0 - 7.7-13.1 HB2 LYS 43 - HE2 LYS 73 far 0 93 0 - 7.8-14.1 HB3 LYS 73 - HE2 LYS 43 far 0 78 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 79 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 89 0 - 7.8-11.1 HB2 LYS 73 - HE3 LYS 43 far 0 87 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 92 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 99 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 99 0 - 8.2-10.5 HB3 LYS 44 - HE3 LYS 43 far 0 100 0 - 8.6-10.7 HB3 LYS 44 - HE3 LYS 73 far 0 100 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3893 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.34 A): 12 out of 56 assignments used, quality = 1.00: * HB3 LYS 43 + HE3 LYS 43 OK 99 100 100 99 2.5-4.5 4.7=37, 3.0/3884=27...(77) HB3 LYS 43 + HE2 LYS 43 OK 97 97 100 99 1.9-4.6 4.7=37, 3.0/3884=28...(79) HB2 LYS 73 + HE3 LYS 73 OK 92 98 95 99 3.5-5.0 4.9=32, 2.9/5207=31...(79) HB2 LYS 43 + HE3 LYS 43 OK 83 98 85 99 3.0-5.2 4.7=37, 3.0/3884=27...(83) HB3 LYS 73 + HE3 LYS 73 OK 81 96 85 99 3.8-5.1 4.9=32, 2.9/5207=31...(77) HB2 LYS 43 + HE2 LYS 43 OK 79 94 85 99 3.4-5.4 4.7=37, 3.0/3884=28...(84) HB3 LYS 73 + HE2 LYS 73 OK 74 88 85 99 3.8-5.1 4.9=32, 2.9/5207=30...(79) HB2 LYS 73 + HE2 LYS 73 OK 67 89 75 99 2.6-5.5 4.9=32, 2.9/5207=30...(81) HB3 LYS 20 + HE2 LYS 20 OK 61 64 95 99 2.2-5.1 4.8=33, 2.9/3071=22...(104) HB2 LYS 20 + HE2 LYS 20 OK 57 64 90 99 2.4-5.5 4.8=33, 2.9/3070=22...(104) HB2 LYS 20 + HE3 LYS 20 OK 57 64 90 99 3.2-5.1 4.8=33, 2.9/3070=22...(104) HB3 LYS 20 + HE3 LYS 20 OK 51 64 80 99 2.1-5.1 4.8=33, 2.9/3071=22...(104) HB3 LYS 43 - HE3 LYS 39 far 14 96 15 - 3.6-10.4 HB3 LYS 43 - HE2 LYS 39 far 10 99 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 39 far 10 96 10 - 3.6-9.3 HB2 LYS 43 - HE2 LYS 40 far 9 89 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 92 25 3 3.5-9.3 6081/1257=2 HB2 LYS 43 - HE3 LYS 40 far 0 83 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 93 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 87 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 91 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 84 0 - 5.8-9.9 HB2 LYS 44 - HE2 LYS 40 far 0 82 0 - 6.2-9.0 HB2 LYS 44 - HE3 LYS 40 far 0 75 0 - 6.3-9.4 HB2 LEU 45 - HE2 LYS 43 far 0 97 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 93 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 87 0 - 6.6-11.0 HG LEU 45 - HE2 LYS 43 far 0 57 0 - 6.7-10.5 HB2 LYS 44 - HE2 LYS 39 far 0 89 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 100 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 94 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 93 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 100 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 95 0 - 7.4-11.0 HB ILE 15 - HE3 LYS 20 far 0 56 0 - 7.5-14.2 HB2 LYS 44 - HE3 LYS 39 far 0 84 0 - 7.5-12.8 HB ILE 15 - HE2 LYS 20 far 0 56 0 - 7.6-14.0 HB3 LYS 73 - HE3 LYS 43 far 0 97 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 98 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 61 0 - 7.7-11.0 HB2 LYS 43 - HE2 LYS 73 far 0 89 0 - 7.8-14.1 HB3 LYS 73 - HE2 LYS 43 far 0 93 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 91 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 98 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 61 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 98 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 92 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 97 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 92 0 - 8.2-10.5 HB3 LYS 44 - HE3 LYS 43 far 0 99 0 - 8.6-10.7 HG LEU 45 - HE2 LYS 73 far 0 52 0 - 8.6-14.9 HG LEU 45 - HE3 LYS 39 far 0 55 0 - 9.4-14.4 HG LEU 45 - HE2 LYS 39 far 0 58 0 - 9.4-14.8 HG LEU 45 - HE2 LYS 40 far 0 52 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 98 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 3894 from cnoeabs.peaks (1.51, 2.98, 41.78 ppm; 3.00 A): 4 out of 19 assignments used, quality = 1.00: * HG2 LYS 43 + HE3 LYS 43 OK 99 100 100 99 2.6-4.2 3.9=45, 3846/3.0=27...(74) HG2 LYS 43 + HE2 LYS 43 OK 96 97 100 99 2.5-3.8 3.9=45, 3846/3.0=27...(79) HG2 LYS 20 + HE3 LYS 20 OK 71 72 100 98 2.1-4.2 3.9=46, 3069/3.0=26...(65) HG2 LYS 20 + HE2 LYS 20 OK 71 72 100 98 2.4-3.8 3.9=46, 3069/3.0=26...(65) HG2 LYS 43 - HE3 LYS 39 far 14 96 15 - 3.5-9.1 HG2 LYS 43 - HE2 LYS 39 far 5 99 5 - 4.1-9.5 HG LEU 38 - HE3 LYS 39 far 0 89 0 - 5.2-7.9 HG2 LYS 43 - HE2 LYS 73 far 0 93 0 - 5.5-11.5 HG2 LYS 43 - HE2 LYS 40 far 0 93 0 - 5.6-9.5 HG LEU 38 - HE2 LYS 39 far 0 93 0 - 5.6-8.9 HG2 LYS 43 - HE3 LYS 73 far 0 100 0 - 5.7-10.6 HG LEU 38 - HE2 LYS 43 far 0 91 0 - 6.3-9.5 HG2 LYS 43 - HE3 LYS 40 far 0 87 0 - 6.7-10.2 HD3 LYS 17 - HE2 LYS 20 far 0 76 0 - 6.8-11.9 HG LEU 38 - HE3 LYS 43 far 0 96 0 - 7.0-10.4 HG LEU 38 - HE2 LYS 40 far 0 86 0 - 7.2-10.3 HG LEU 38 - HE3 LYS 40 far 0 79 0 - 7.5-11.2 HD3 LYS 17 - HE3 LYS 20 far 0 76 0 - 7.6-11.8 HG LEU 38 - HE2 LYS 73 far 0 86 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (1.37, 2.98, 41.78 ppm; 2.97 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 43 + HE3 LYS 43 OK 98 100 100 98 2.3-3.8 3.9=44, 1.8/3884=31...(70) HG3 LYS 43 + HE2 LYS 43 OK 96 97 100 99 2.1-3.7 3.9=44, 1.8/3884=32...(77) HG2 LYS 40 + HE2 LYS 40 OK 83 84 100 99 2.0-4.0 3.9=43, 1.8/3723=31...(58) HG2 LYS 40 + HE3 LYS 40 OK 77 77 100 99 2.2-4.0 3.9=43, 1.8/3723=31...(61) HG3 LYS 43 - HE2 LYS 39 poor 20 99 20 - 3.0-8.5 HG2 LYS 40 - HE2 LYS 39 poor 18 91 20 - 2.8-8.4 HG2 LYS 40 - HE3 LYS 39 poor 17 87 20 - 3.1-9.6 HG3 LYS 43 - HE3 LYS 39 lone 1 96 25 4 2.0-8.0 3681/5.0=2, 1253/1257=1 HG3 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.7-8.1 HG3 LYS 43 - HE3 LYS 40 far 0 87 0 - 5.8-8.7 HG2 LYS 40 - HE2 LYS 43 far 0 89 0 - 6.0-10.0 HG2 LYS 40 - HE3 LYS 43 far 0 94 0 - 6.4-10.0 HG3 LYS 43 - HE2 LYS 73 far 0 93 0 - 6.6-12.7 HG3 LYS 43 - HE3 LYS 73 far 0 100 0 - 7.1-11.7 HB3 LEU 68 - HE2 LYS 73 far 0 79 0 - 8.0-13.7 HB3 LEU 68 - HE3 LYS 73 far 0 89 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 3896 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 16 out of 51 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 89 98 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 88 98 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(39) * HD2 LYS 43 + HE3 LYS 43 OK 88 100 100 88 2.3-3.0 3.0=52, 2.9/3884=14...(42) HD2 LYS 43 + HE2 LYS 43 OK 87 97 100 89 2.5-3.0 3.0=52, 2.9/3884=14...(44) HD3 LYS 43 + HE3 LYS 43 OK 87 99 100 88 2.5-3.0 3.0=52, 2.9/3884=14...(42) HD3 LYS 40 + HE2 LYS 40 OK 85 93 100 92 2.3-3.0 3.0=53, 2.9/3723=14...(37) HD3 LYS 43 + HE2 LYS 43 OK 85 95 100 89 2.3-3.0 3.0=52, 2.9/3884=14...(44) HD2 LYS 40 + HE2 LYS 40 OK 85 92 100 92 2.3-3.0 3.0=53, 2.9/3723=14...(37) HD3 LYS 73 + HE2 LYS 73 OK 83 91 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(41) HD2 LYS 73 + HE2 LYS 73 OK 81 89 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(41) HD3 LYS 40 + HE3 LYS 40 OK 79 86 100 92 2.6-3.0 3.0=53, 2.9/3723=14...(37) HD2 LYS 40 + HE3 LYS 40 OK 79 86 100 92 2.2-3.0 3.0=53, 2.9/3723=14...(37) HD3 LYS 20 + HE3 LYS 20 OK 64 71 100 91 2.4-3.0 3.0=52, 3.0/3070=10...(46) HD3 LYS 20 + HE2 LYS 20 OK 64 71 100 91 2.3-3.0 3.0=52, 3.0/3070=10...(46) HD2 LYS 20 + HE3 LYS 20 OK 62 69 100 91 2.3-3.0 3.0=52, 3.0/3070=10...(46) HD2 LYS 20 + HE2 LYS 20 OK 62 69 100 91 2.4-3.0 3.0=52, 3.0/3070=10...(46) HD3 LYS 40 - HE3 LYS 39 poor 19 95 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 14 95 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 98 10 - 2.0-8.3 HD2 LYS 43 - HE3 LYS 39 far 5 96 5 - 3.2-10.9 HD3 LYS 43 - HE3 LYS 39 far 5 93 5 - 3.9-10.6 HD3 LYS 40 - HE2 LYS 39 lone 1 98 25 4 2.7-7.3 3701/5.0=1 HD3 LYS 43 - HE2 LYS 73 far 0 91 0 - 3.9-10.9 HD3 LYS 43 - HE3 LYS 73 far 0 98 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 100 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 97 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 100 0 - 4.9-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 97 0 - 5.2-10.6 HD3 LYS 16 - HE2 LYS 20 far 0 66 0 - 5.3-13.1 HD2 LYS 43 - HE2 LYS 73 far 0 93 0 - 5.3-12.5 HD2 LYS 16 - HE2 LYS 20 far 0 72 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 97 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 72 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 99 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 100 0 - 5.7-11.1 HD3 LYS 73 - HE2 LYS 43 far 0 95 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 93 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 66 0 - 6.5-13.3 HD2 LYS 43 - HE3 LYS 40 far 0 87 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 98 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 94 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 91 0 - 7.0-10.8 HG12 ILE 71 - HE3 LYS 73 far 0 76 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 78 0 - 7.3-11.3 HD2 LYS 17 - HE3 LYS 20 far 0 78 0 - 7.4-11.5 HG12 ILE 71 - HE2 LYS 73 far 0 67 0 - 8.0-10.8 HD3 LYS 43 - HE3 LYS 40 far 0 84 0 - 8.3-11.3 HD3 LYS 115 - HE3 LYS 20 far 0 41 0 - 9.0-18.3 HG12 ILE 71 - HE2 LYS 43 far 0 72 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 93 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 3897 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 18 out of 68 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 90 100 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 90 100 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(39) * HD3 LYS 43 + HE3 LYS 43 OK 88 100 100 88 2.5-3.0 3.0=52, 2.9/3884=14...(42) HD2 LYS 43 + HE3 LYS 43 OK 87 99 100 88 2.3-3.0 3.0=52, 2.9/3884=14...(42) HD3 LYS 43 + HE2 LYS 43 OK 87 97 100 89 2.3-3.0 3.0=52, 2.9/3884=14...(44) HD2 LYS 40 + HE2 LYS 40 OK 85 93 100 92 2.3-3.0 3.0=53, 2.9/3723=14...(37) HD3 LYS 73 + HE2 LYS 73 OK 85 93 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(41) HD2 LYS 43 + HE2 LYS 43 OK 85 95 100 89 2.5-3.0 3.0=52, 2.9/3884=14...(44) HD2 LYS 73 + HE2 LYS 73 OK 85 93 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(41) HD3 LYS 40 + HE2 LYS 40 OK 85 92 100 92 2.3-3.0 3.0=53, 2.9/3723=14...(37) HD2 LYS 40 + HE3 LYS 40 OK 79 86 100 92 2.2-3.0 3.0=53, 2.9/3723=14...(37) HD3 LYS 40 + HE3 LYS 40 OK 79 86 100 92 2.6-3.0 3.0=53, 2.9/3723=14...(37) HD3 LYS 20 + HE3 LYS 20 OK 70 77 100 91 2.4-3.0 3.0=52, 3079/3.9=11...(47) HD3 LYS 20 + HE2 LYS 20 OK 70 77 100 91 2.3-3.0 3.0=52, 3079/3.9=11...(47) HD2 LYS 20 + HE3 LYS 20 OK 70 76 100 91 2.3-3.0 3.0=52, 3079/3.9=11...(47) HD2 LYS 20 + HE2 LYS 20 OK 70 76 100 91 2.4-3.0 3.0=52, 3079/3.9=11...(47) HG3 LYS 39 + HE2 LYS 39 OK 50 74 80 85 2.5-4.2 3.6=30, 1.8/3632=21...(41) HG3 LYS 39 + HE3 LYS 39 OK 38 70 65 85 2.1-4.2 3.6=30, 1.8/3632=21...(41) HD3 LYS 40 - HE3 LYS 39 poor 19 95 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 14 95 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 98 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 5 96 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 5 93 5 - 3.2-10.9 HD3 LYS 40 - HE2 LYS 39 lone 1 98 25 4 2.7-7.3 3701/5.0=1 HG3 LYS 39 - HE3 LYS 40 far 0 61 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 93 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 67 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 100 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 100 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 97 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 97 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 100 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 72 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 52 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 47 0 - 5.2-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 77 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 75 0 - 5.3-13.1 HD2 LYS 43 - HE2 LYS 73 far 0 91 0 - 5.3-12.5 HD2 LYS 16 - HE2 LYS 20 far 0 78 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 97 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 78 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 100 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 98 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 54 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 60 0 - 6.1-10.7 HD3 LYS 73 - HE2 LYS 43 far 0 97 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 91 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 75 0 - 6.5-13.3 HD2 LYS 43 - HE3 LYS 40 far 0 84 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 100 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 97 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 93 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 58 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 55 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 91 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 77 0 - 7.3-11.3 HD2 LYS 17 - HE3 LYS 20 far 0 77 0 - 7.4-11.5 HG12 ILE 71 - HE2 LYS 73 far 0 82 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 64 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 62 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 87 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 66 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 61 0 - 8.6-11.5 HD3 LYS 44 - HE2 LYS 43 far 0 57 0 - 8.7-12.0 HD2 LYS 44 - HE3 LYS 43 far 0 70 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 87 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 96 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 44 + HA LYS 44 OK 100 100 100 100 2.7-2.7 3.0=100 H LYS 44 - HA GLU 37 far 0 59 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. 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): 4 out of 14 assignments used, quality = 1.00: * HB2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.3-3.0 3.0=88, 2.9/3904=37...(37) HB3 LYS 44 + HA LYS 44 OK 98 99 100 100 2.3-3.0 3.0=88, 2.9/3904=37...(37) HB2 LYS 43 + HA LYS 44 OK 51 99 90 57 4.2-4.5 ~252=11, 1284/3.0=11...(16) HB3 LYS 43 + HA LYS 44 OK 20 92 40 55 4.1-4.6 ~252=11, 1285/3.0=10...(14) HB3 LYS 73 - HA GLU 69 far 9 59 15 - 4.2-8.2 HB2 LYS 49 - HA LYS 44 far 0 87 0 - 4.8-11.7 HB ILE 71 - HA GLU 69 far 0 67 0 - 4.9-6.8 HB2 LEU 45 - HA LYS 44 far 0 97 0 - 5.9-6.1 HB2 LYS 73 - HA GLU 69 far 0 63 0 - 5.9-7.5 HB3 LYS 44 - HA GLU 37 far 0 56 0 - 6.7-9.6 HB2 LYS 44 - HA GLU 37 far 0 59 0 - 7.1-9.3 HB2 LYS 43 - HA GLU 37 far 0 57 0 - 7.9-8.7 HB2 LYS 96 - HA GLU 69 far 0 81 0 - 9.2-11.1 HB3 LYS 43 - HA GLU 37 far 0 49 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (1.91, 4.06, 59.50 ppm; 2.86 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LYS 44 + HA LYS 44 OK 100 100 100 100 2.3-3.0 3.0=88, 2.9/3904=37...(36) HB2 LYS 44 + HA LYS 44 OK 98 99 100 100 2.3-3.0 3.0=88, 2.9/3904=37...(36) HB2 LYS 43 + HA LYS 44 OK 51 100 90 56 4.2-4.5 ~252=11, 253/3.0=11...(16) HB3 LYS 43 + HA LYS 44 OK 22 99 40 56 4.1-4.6 ~252=11, 254/3.0=11...(14) HB3 LYS 73 - HA GLU 69 far 11 76 15 - 4.2-8.2 HB2 LYS 49 - HA LYS 44 far 0 97 0 - 4.8-11.7 HB ILE 71 - HA GLU 69 far 0 81 0 - 4.9-6.8 HB2 LEU 45 - HA LYS 44 far 0 100 0 - 5.9-6.1 HB2 LYS 73 - HA GLU 69 far 0 79 0 - 5.9-7.5 HB3 LYS 44 - HA GLU 37 far 0 59 0 - 6.7-9.6 HB2 LYS 44 - HA GLU 37 far 0 56 0 - 7.1-9.3 HB2 LYS 43 - HA GLU 37 far 0 59 0 - 7.9-8.7 HB2 LYS 96 - HA GLU 69 far 0 90 0 - 9.2-11.1 HB3 LYS 43 - HA GLU 37 far 0 56 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 3904 from cnoeabs.peaks (1.58, 4.06, 59.50 ppm; 3.43 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.1-3.7 1.8/3905=65, 4.2=56...(38) HG2 LYS 73 - HA GLU 69 poor 13 67 20 - 4.5-8.7 HB3 LEU 70 - HA GLU 69 far 0 76 0 - 5.6-6.6 HG LEU 68 - HA GLU 69 far 0 89 0 - 6.6-6.7 HG2 LYS 44 - HA GLU 37 far 0 59 0 - 6.7-9.2 HB3 LEU 70 - HA LYS 44 far 0 87 0 - 9.2-11.6 HG3 LYS 96 - HA GLU 69 far 0 76 0 - 10.0-13.4 Violated in 5 structures by 0.05 A. Peak 3905 from cnoeabs.peaks (1.44, 4.06, 59.50 ppm; 3.66 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 44 + HA LYS 44 OK 100 100 100 100 3.0-4.2 1.8/3904=79, 4.2=68...(41) HG2 LYS 39 - HA GLU 37 poor 9 29 30 - 3.9-7.7 HG3 LYS 44 - HA GLU 37 far 0 59 0 - 6.1-8.3 HG3 ARG 30 - HA GLU 37 far 0 41 0 - 7.1-11.4 HG2 LYS 39 - HA LYS 44 far 0 61 0 - 7.3-10.8 HB3 LEU 63 - HA GLU 37 far 0 45 0 - 8.7-9.7 HG12 ILE 56 - HA GLU 37 far 0 47 0 - 9.3-12.2 HG LEU 80 - HA GLU 69 far 0 92 0 - 9.4-12.4 Violated in 10 structures by 0.15 A. Peak 3906 from cnoeabs.peaks (1.70, 4.06, 59.50 ppm; 3.39 A): 2 out of 20 assignments used, quality = 1.00: * HD2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.5-4.8 2.9/3904=53, 3951=50...(55) HD3 LYS 44 + HA LYS 44 OK 100 100 100 100 2.6-4.8 2.9/3904=53, 3961=50...(55) HD2 LYS 40 - HA LYS 44 poor 14 61 40 57 4.1-7.3 3.6/8046=48, ~256=7...(4) HG12 ILE 71 - HA GLU 69 poor 12 87 55 26 4.5-7.0 445/2122=12, 5173/3.6=4...(6) HD3 LYS 73 - HA GLU 69 far 9 59 15 - 3.8-8.7 HG3 LYS 39 - HA GLU 37 poor 8 59 35 39 3.9-7.8 7476/2040=30...(3) HD2 LYS 39 - HA GLU 37 far 6 56 10 - 4.8-8.2 HD2 LYS 40 - HA GLU 37 far 3 29 10 - 3.9-7.4 HD3 LYS 39 - HA GLU 37 far 3 57 5 - 4.9-9.3 HD2 LYS 73 - HA GLU 69 far 0 63 0 - 5.5-9.5 HD2 LYS 44 - HA GLU 37 far 0 59 0 - 5.7-10.5 HD3 LYS 44 - HA GLU 37 far 0 59 0 - 6.0-10.5 HD3 LYS 43 - HA LYS 44 far 0 70 0 - 6.8-7.9 HG LEU 74 - HA GLU 69 far 0 92 0 - 7.3-9.9 HG3 LYS 39 - HA LYS 44 far 0 100 0 - 7.7-10.9 HD2 LYS 39 - HA LYS 44 far 0 99 0 - 7.8-11.9 HD3 LYS 39 - HA LYS 44 far 0 99 0 - 8.5-11.8 HG LEU 74 - HA LYS 44 far 0 100 0 - 9.2-11.4 HB ILE 54 - HA LYS 44 far 0 61 0 - 9.7-12.6 HD3 LYS 43 - HA GLU 69 far 0 59 0 - 9.9-12.8 Violated in 3 structures by 0.02 A. Peak 3907 from cnoeabs.peaks (1.70, 4.06, 59.50 ppm; 3.39 A): 2 out of 17 assignments used, quality = 1.00: * HD3 LYS 44 + HA LYS 44 OK 100 100 100 100 2.6-4.8 2.9/3904=53, 3961=50...(55) HD2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.5-4.8 2.9/3904=53, 3951=50...(55) HG12 ILE 71 - HA GLU 69 poor 11 84 55 24 4.5-7.0 445/2122=12, 5173/3.6=4...(6) HD3 LYS 73 - HA GLU 69 far 8 52 15 - 3.8-8.7 HG3 LYS 39 - HA GLU 37 poor 8 57 35 38 3.9-7.8 7476/2040=30, 3598/612=11 HD2 LYS 39 - HA GLU 37 far 6 58 10 - 4.8-8.2 HD3 LYS 39 - HA GLU 37 far 3 59 5 - 4.9-9.3 HD2 LYS 73 - HA GLU 69 far 0 56 0 - 5.5-9.5 HD2 LYS 44 - HA GLU 37 far 0 59 0 - 5.7-10.5 HD3 LYS 44 - HA GLU 37 far 0 59 0 - 6.0-10.5 HD3 LYS 43 - HA LYS 44 far 0 61 0 - 6.8-7.9 HG LEU 74 - HA GLU 69 far 0 93 0 - 7.3-9.9 HG3 LYS 39 - HA LYS 44 far 0 99 0 - 7.7-10.9 HD2 LYS 39 - HA LYS 44 far 0 100 0 - 7.8-11.9 HD3 LYS 39 - HA LYS 44 far 0 100 0 - 8.5-11.8 HG LEU 74 - HA LYS 44 far 0 100 0 - 9.2-11.4 HD3 LYS 43 - HA GLU 69 far 0 52 0 - 9.9-12.8 Violated in 3 structures by 0.02 A. Peak 3908 from cnoeabs.peaks (2.93, 4.06, 59.50 ppm; 6.20 A): 2 out of 8 assignments used, quality = 1.00: HE3 LYS 44 + HA LYS 44 OK 100 100 100 100 3.6-5.8 3.7/3904=98, 3.7/3905=96...(43) * HE2 LYS 44 + HA LYS 44 OK 100 100 100 100 3.8-5.9 3.7/3904=98, 3.7/3905=96...(43) HE3 LYS 65 - HA GLU 69 far 7 70 10 - 6.3-11.2 HD3 ARG 30 - HA GLU 37 far 3 58 5 - 7.1-11.5 HE3 LYS 44 - HA GLU 37 lone 2 59 50 6 5.1-9.3 6154/8044=3 HE2 LYS 44 - HA GLU 37 lone 2 59 50 6 5.7-10.1 6144/8044=3 HE2 LYS 65 - HA GLU 69 lone 0 70 35 2 5.7-11.1 HD3 ARG 30 - HA LYS 44 far 0 100 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (2.93, 4.06, 59.50 ppm; 4.79 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 44 + HA LYS 44 OK 100 100 100 100 3.6-5.8 3.7/3904=77, 3.7/3905=74...(43) HE2 LYS 44 + HA LYS 44 OK 100 100 100 100 3.8-5.9 3.7/3904=77, 3.7/3905=74...(43) HE3 LYS 44 - HA GLU 37 poor 12 59 20 - 5.1-9.3 HE2 LYS 44 - HA GLU 37 far 6 59 10 - 5.7-10.1 HE2 LYS 65 - HA GLU 69 far 3 70 5 - 5.7-11.1 HE3 LYS 65 - HA GLU 69 far 0 70 0 - 6.3-11.2 HD3 ARG 30 - HA GLU 37 far 0 58 0 - 7.1-11.5 HD3 ARG 30 - HA LYS 44 far 0 100 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 3910 from cnoeabs.peaks (7.45, 1.91, 32.07 ppm; 3.16 A): 4 out of 4 assignments used, quality = 1.00: * H LYS 44 + HB2 LYS 44 OK 99 100 100 99 2.2-3.6 4.0=48, 1286/2.9=47...(24) H LYS 44 + HB3 LYS 44 OK 96 97 100 99 2.2-3.6 4.0=48, 1286/2.9=47...(23) H LYS 44 + HB2 LYS 43 OK 83 94 100 88 2.4-3.0 252/3.0=46, 1888/4.0=38...(12) H LYS 44 + HB3 LYS 43 OK 66 77 100 87 3.2-3.9 252/3.0=46, 1888/4.0=38...(8) Violated in 0 structures by 0.00 A. Peak 3911 from cnoeabs.peaks (4.06, 1.91, 32.07 ppm; 2.72 A): 3 out of 14 assignments used, quality = 1.00: * HA LYS 44 + HB2 LYS 44 OK 99 100 100 99 2.3-3.0 3.0=76, 3904/2.9=33...(35) HA LYS 44 + HB3 LYS 44 OK 96 97 100 99 2.3-3.0 3.0=76, 3904/2.9=33...(34) HA LYS 96 + HB2 LYS 96 OK 80 81 100 99 2.7-3.0 3.0=79, 6075/2.9=33...(33) HA LYS 44 - HB2 LYS 43 poor 19 94 20 - 4.2-4.5 HA LYS 44 - HB3 LYS 43 poor 13 77 30 57 4.1-4.6 3902/1.8=11, ~252=10...(15) HA3 GLY 125 - HB3 LYS 123 far 0 72 0 - 6.7-7.0 HA GLU 37 - HB3 LYS 44 far 0 97 0 - 6.7-9.6 HA GLU 37 - HB2 LYS 44 far 0 100 0 - 7.1-9.3 HA2 GLY 125 - HB3 LYS 123 far 0 63 0 - 7.1-7.5 HA GLU 37 - HB2 LYS 43 far 0 94 0 - 7.9-8.7 HA GLU 91 - HB2 LYS 96 far 0 66 0 - 8.0-9.7 HA GLU 69 - HB2 LYS 96 far 0 78 0 - 9.2-11.1 HA GLU 37 - HB3 LYS 43 far 0 76 0 - 9.5-10.3 HA SER 35 - HB2 LYS 43 far 0 68 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HG2 LYS 44 + HB2 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=88, 3904/3.0=35...(48) HG2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.6-3.0 2.9=88, 3904/3.0=35...(48) HG2 LYS 123 + HB3 LYS 123 OK 67 67 100 100 2.2-2.3 2.9=88, 2.9/7120=42...(42) HG3 LYS 96 + HB2 LYS 96 OK 66 66 100 100 2.3-2.6 2.9=93, 6076/3.0=23...(38) HG2 LYS 44 - HB2 LYS 43 poor 15 94 55 29 3.9-5.5 1286/4.7=20, 3904/3902=7, 3932=5 HG2 LYS 44 - HB3 LYS 43 far 0 77 0 - 4.8-6.1 HB3 LEU 70 - HB2 LYS 43 far 0 77 0 - 5.9-8.8 HB3 LEU 70 - HB3 LYS 43 far 0 60 0 - 6.3-9.6 HG LEU 82 - HB2 LYS 96 far 0 54 0 - 7.6-9.9 HG2 LYS 73 - HB3 LYS 43 far 0 52 0 - 8.6-11.6 HG LEU 68 - HB2 LYS 96 far 0 78 0 - 8.8-10.0 HB3 LEU 70 - HB3 LYS 44 far 0 82 0 - 8.9-11.5 HB3 LEU 70 - HB2 LYS 44 far 0 87 0 - 8.9-11.3 HG2 LYS 73 - HB2 LYS 43 far 0 68 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 3915 from cnoeabs.peaks (1.44, 1.91, 32.07 ppm; 2.86 A): 3 out of 20 assignments used, quality = 1.00: * HG3 LYS 44 + HB2 LYS 44 OK 100 100 100 100 2.2-2.9 2.9=93, 3905/3.0=34...(49) HG3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.2-2.9 2.9=93, 3905/3.0=34...(49) HG2 LYS 96 + HB2 LYS 96 OK 82 82 100 100 2.3-2.6 2.9=97, 6075/3.0=37...(40) HG3 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.6-6.4 HG2 LYS 39 - HB2 LYS 43 far 0 53 0 - 4.8-7.4 HG3 LYS 44 - HB3 LYS 43 far 0 77 0 - 5.5-7.1 HG2 LYS 39 - HB3 LYS 44 far 0 57 0 - 5.9-11.9 HG2 LYS 39 - HB3 LYS 43 far 0 40 0 - 6.2-8.7 HG LEU 80 - HB2 LYS 96 far 0 82 0 - 7.0-9.8 HG12 ILE 56 - HB2 LYS 44 far 0 90 0 - 7.1-11.4 HG2 LYS 39 - HB2 LYS 44 far 0 61 0 - 7.4-11.4 HG3 ARG 30 - HB2 LYS 44 far 0 81 0 - 7.6-11.2 HB3 LYS 61 - HB2 LYS 96 far 0 78 0 - 7.6-9.9 HG12 ILE 56 - HB3 LYS 44 far 0 84 0 - 8.1-11.2 HG3 ARG 30 - HB3 LYS 44 far 0 75 0 - 8.1-11.4 HG LEU 4 - HB2 LYS 44 far 0 84 0 - 8.2-13.5 HB3 LEU 4 - HB2 LYS 44 far 0 100 0 - 8.4-13.1 HG LEU 4 - HB3 LYS 44 far 0 78 0 - 9.2-13.1 HB3 LEU 4 - HB3 LYS 44 far 0 97 0 - 9.3-13.0 HB2 LEU 4 - HB2 LYS 44 far 0 100 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 3916 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 8 out of 44 assignments used, quality = 1.00: * HD2 LYS 44 + HB2 LYS 44 OK 99 100 100 99 2.5-3.7 3.7=38, 3954/2.9=23...(80) HD3 LYS 44 + HB3 LYS 44 OK 91 97 95 99 2.3-4.2 3.7=38, 3954/2.9=23...(80) HD2 LYS 44 + HB3 LYS 44 OK 77 97 80 99 2.3-4.2 3.7=38, 3954/2.9=23...(78) HG3 LYS 123 + HB3 LYS 123 OK 72 72 100 100 2.9-3.0 2.9=74, 7132/7130=43...(34) HD3 LYS 44 + HB2 LYS 44 OK 69 100 70 99 2.0-4.2 3.7=38, 3954/2.9=23...(82) HD3 LYS 96 + HB2 LYS 96 OK 47 47 100 99 3.5-4.1 3.4=46, ~6097=16...(75) HD3 LYS 43 + HB3 LYS 43 OK 44 46 100 96 2.7-3.7 3.8=33, 2.9/3824=16...(74) HD3 LYS 43 + HB2 LYS 43 OK 41 60 70 97 3.8-4.2 3.8=33, 2.9/3824=17...(80) HD2 LYS 39 - HB2 LYS 43 far 14 91 15 - 3.6-8.5 HD2 LYS 40 - HB3 LYS 43 poor 8 40 20 - 3.7-7.2 HD2 LYS 40 - HB3 LYS 44 far 6 57 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 4 53 65 12 2.9-6.0 5.3/8064=6, 1255/6081=1 HD2 LYS 40 - HB2 LYS 44 far 0 61 0 - 4.2-7.7 HD2 LYS 39 - HB3 LYS 43 far 0 74 0 - 4.5-9.9 HG3 LYS 39 - HB2 LYS 43 far 0 94 0 - 5.0-7.3 HD3 LYS 39 - HB2 LYS 43 far 0 92 0 - 5.1-8.1 HD3 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.1-7.5 HD3 LYS 39 - HB3 LYS 43 far 0 75 0 - 5.6-9.3 HD2 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.8-7.6 HG3 LYS 39 - HB3 LYS 43 far 0 76 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 76 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 77 0 - 6.7-8.0 HB ILE 54 - HB2 LYS 44 far 0 61 0 - 7.1-11.9 HG LEU 74 - HB3 LYS 43 far 0 75 0 - 7.2-9.4 HD2 LYS 39 - HB3 LYS 44 far 0 95 0 - 7.2-12.9 HD2 LYS 39 - HB2 LYS 44 far 0 99 0 - 7.2-11.8 HB ILE 54 - HB3 LYS 44 far 0 57 0 - 7.3-11.9 HG3 LYS 39 - HB3 LYS 44 far 0 97 0 - 7.4-11.8 HG3 LYS 39 - HB2 LYS 44 far 0 100 0 - 7.6-11.6 HD3 LYS 43 - HB3 LYS 44 far 0 64 0 - 7.7-9.9 HG LEU 74 - HB2 LYS 43 far 0 93 0 - 7.7-9.7 HD3 LYS 43 - HB2 LYS 44 far 0 70 0 - 7.8-9.0 HD3 LYS 39 - HB3 LYS 44 far 0 96 0 - 8.2-12.8 HD3 LYS 73 - HB3 LYS 43 far 0 46 0 - 8.3-12.6 HG LEU 74 - HB2 LYS 44 far 0 100 0 - 8.3-12.5 HB ILE 56 - HB3 LYS 44 far 0 82 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 97 0 - 8.7-12.3 HB ILE 56 - HB2 LYS 44 far 0 87 0 - 8.9-13.2 HD3 LYS 39 - HB2 LYS 44 far 0 99 0 - 8.9-11.5 HD3 LYS 73 - HB2 LYS 43 far 0 60 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 49 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 89 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 93 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 64 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3917 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 7 out of 37 assignments used, quality = 1.00: HD2 LYS 44 + HB2 LYS 44 OK 99 100 100 99 2.5-3.7 3.7=38, 3954/2.9=23...(80) HD3 LYS 44 + HB3 LYS 44 OK 92 97 95 99 2.3-4.2 3.7=38, 3954/2.9=23...(79) HD2 LYS 44 + HB3 LYS 44 OK 77 97 80 99 2.3-4.2 3.7=38, 3954/2.9=23...(78) HG3 LYS 123 + HB3 LYS 123 OK 70 71 100 100 2.9-3.0 2.9=74, 7132/7130=42...(34) * HD3 LYS 44 + HB2 LYS 44 OK 69 100 70 99 2.0-4.2 3.7=38, 3954/2.9=23...(81) HD3 LYS 43 + HB3 LYS 43 OK 38 40 100 96 2.7-3.7 3.8=33, 2.9/3824=16...(74) HD3 LYS 43 + HB2 LYS 43 OK 36 53 70 97 3.8-4.2 3.8=33, 2.9/3824=17...(80) HD2 LYS 39 - HB2 LYS 43 far 14 93 15 - 3.6-8.5 HD2 LYS 39 - HB3 LYS 43 far 0 75 0 - 4.5-9.9 HG3 LYS 39 - HB2 LYS 43 far 0 92 0 - 5.0-7.3 HD3 LYS 39 - HB2 LYS 43 far 0 94 0 - 5.1-8.1 HD3 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.1-7.5 HD3 LYS 39 - HB3 LYS 43 far 0 76 0 - 5.6-9.3 HD2 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.8-7.6 HG3 LYS 39 - HB3 LYS 43 far 0 75 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 77 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 76 0 - 6.7-8.0 HG LEU 74 - HB3 LYS 43 far 0 76 0 - 7.2-9.4 HD2 LYS 39 - HB3 LYS 44 far 0 97 0 - 7.2-12.9 HD2 LYS 39 - HB2 LYS 44 far 0 100 0 - 7.2-11.8 HG3 LYS 39 - HB3 LYS 44 far 0 96 0 - 7.4-11.8 HG3 LYS 39 - HB2 LYS 44 far 0 99 0 - 7.6-11.6 HD3 LYS 43 - HB3 LYS 44 far 0 57 0 - 7.7-9.9 HG LEU 74 - HB2 LYS 43 far 0 94 0 - 7.7-9.7 HD3 LYS 43 - HB2 LYS 44 far 0 61 0 - 7.8-9.0 HD3 LYS 39 - HB3 LYS 44 far 0 97 0 - 8.2-12.8 HD3 LYS 73 - HB3 LYS 43 far 0 40 0 - 8.3-12.6 HG LEU 74 - HB2 LYS 44 far 0 100 0 - 8.3-12.5 HB ILE 56 - HB3 LYS 44 far 0 75 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 97 0 - 8.7-12.3 HB ILE 56 - HB2 LYS 44 far 0 81 0 - 8.9-13.2 HD3 LYS 39 - HB2 LYS 44 far 0 100 0 - 8.9-11.5 HD3 LYS 73 - HB2 LYS 43 far 0 53 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 43 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 85 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 89 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 57 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3918 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.0-4.9 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 1.9-4.7 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB2 LYS 44 OK 95 100 95 100 2.4-5.3 5.0=40, 3.0/3952=21...(68) * HE2 LYS 44 + HB2 LYS 44 OK 90 100 90 100 2.0-5.4 5.0=40, 3.0/3952=21...(68) HE3 LYS 96 + HB2 LYS 96 OK 66 83 80 100 4.3-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 96 + HB2 LYS 96 OK 58 83 70 100 4.5-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 65 - HB2 LYS 96 poor 13 60 65 33 2.8-9.7 6099/1.8=4, ~6100=4...(16) HE3 LYS 65 - HB2 LYS 96 poor 12 60 75 27 2.2-9.7 6100/1.8=6, ~6100=3...(10) HE3 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.3-8.5 HE2 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.6-9.0 HE3 LYS 44 - HB3 LYS 43 far 0 77 0 - 6.3-9.3 HE2 LYS 44 - HB3 LYS 43 far 0 77 0 - 6.3-9.4 HD3 ARG 30 - HB2 LYS 44 far 0 100 0 - 6.7-11.4 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 7.2-11.2 HE3 LYS 94 - HB2 LYS 96 far 0 63 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 3919 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.0-4.9 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 1.9-4.7 5.0=40, 3.0/3953=20...(65) * HE3 LYS 44 + HB2 LYS 44 OK 95 100 95 100 2.4-5.3 5.0=40, 3.0/3952=21...(68) HE2 LYS 44 + HB2 LYS 44 OK 90 100 90 100 2.0-5.4 5.0=40, 3.0/3952=21...(68) HE3 LYS 96 + HB2 LYS 96 OK 66 83 80 100 4.3-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 96 + HB2 LYS 96 OK 58 83 70 100 4.5-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 65 - HB2 LYS 96 poor 13 60 65 33 2.8-9.7 6099/1.8=4, ~6100=4...(16) HE3 LYS 65 - HB2 LYS 96 poor 12 60 75 27 2.2-9.7 6100/1.8=6, ~6100=3...(10) HE3 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.3-8.5 HE2 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.6-9.0 HE3 LYS 44 - HB3 LYS 43 far 0 77 0 - 6.3-9.3 HE2 LYS 44 - HB3 LYS 43 far 0 77 0 - 6.3-9.4 HD3 ARG 30 - HB2 LYS 44 far 0 100 0 - 6.7-11.4 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 7.2-11.2 HE3 LYS 94 - HB2 LYS 96 far 0 63 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 3920 from cnoeabs.peaks (7.45, 1.91, 32.07 ppm; 3.16 A): 4 out of 4 assignments used, quality = 1.00: * H LYS 44 + HB3 LYS 44 OK 99 100 100 99 2.2-3.6 4.0=48, 1286/2.9=47...(23) H LYS 44 + HB2 LYS 44 OK 96 97 100 99 2.2-3.6 4.0=48, 1286/2.9=47...(24) H LYS 44 + HB2 LYS 43 OK 85 97 100 88 2.4-3.0 252/3.0=46, 1888/4.0=38...(12) H LYS 44 + HB3 LYS 43 OK 80 92 100 87 3.2-3.9 252/3.0=46, 1888/4.0=38...(8) Violated in 0 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (4.06, 1.91, 32.07 ppm; 2.72 A): 3 out of 16 assignments used, quality = 1.00: * HA LYS 44 + HB3 LYS 44 OK 99 100 100 99 2.3-3.0 3.0=76, 3904/2.9=33...(33) HA LYS 44 + HB2 LYS 44 OK 96 97 100 99 2.3-3.0 3.0=76, 3904/2.9=33...(33) HA LYS 96 + HB2 LYS 96 OK 95 96 100 99 2.7-3.0 3.0=79, 6075/2.9=33...(33) HA LYS 44 - HB2 LYS 43 poor 19 97 20 - 4.2-4.5 HA LYS 44 - HB3 LYS 43 poor 16 92 30 58 4.1-4.6 3902/1.8=11, ~252=10...(15) HA GLU 69 - HB3 LYS 73 far 0 66 0 - 4.2-8.2 HA GLU 69 - HB2 LYS 73 far 0 71 0 - 5.9-7.5 HA3 GLY 125 - HB3 LYS 123 far 0 61 0 - 6.7-7.0 HA GLU 37 - HB3 LYS 44 far 0 100 0 - 6.7-9.6 HA GLU 37 - HB2 LYS 44 far 0 97 0 - 7.1-9.3 HA2 GLY 125 - HB3 LYS 123 far 0 53 0 - 7.1-7.5 HA GLU 37 - HB2 LYS 43 far 0 96 0 - 7.9-8.7 HA GLU 91 - HB2 LYS 96 far 0 82 0 - 8.0-9.7 HA GLU 69 - HB2 LYS 96 far 0 94 0 - 9.2-11.1 HA GLU 37 - HB3 LYS 43 far 0 92 0 - 9.5-10.3 HA SER 35 - HB2 LYS 43 far 0 71 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 3922 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 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 18 assignments used, quality = 1.00: * HG2 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=88, 3904/3.0=35...(48) HG2 LYS 44 + HB2 LYS 44 OK 97 97 100 100 2.6-3.0 2.9=88, 3904/3.0=35...(48) HG3 LYS 96 + HB2 LYS 96 OK 81 82 100 100 2.3-2.6 2.9=93, 6076/3.0=23...(38) HG2 LYS 123 + HB3 LYS 123 OK 56 56 100 100 2.2-2.3 2.9=88, 2.9/7120=39...(42) HG2 LYS 73 + HB2 LYS 73 OK 51 51 100 100 2.3-3.0 2.9=96, 1480/4.0=19...(63) HG2 LYS 73 + HB3 LYS 73 OK 47 47 100 100 2.2-3.0 2.9=96, 1480/4.0=19...(61) HG2 LYS 44 - HB2 LYS 43 poor 16 97 55 29 3.9-5.5 1286/4.7=20, 3904/3903=7, 3932=5 HG2 LYS 44 - HB3 LYS 43 far 0 92 0 - 4.8-6.1 HB3 LEU 70 - HB2 LYS 73 far 0 59 0 - 5.0-8.2 HB3 LEU 70 - HB2 LYS 43 far 0 80 0 - 5.9-8.8 HB3 LEU 70 - HB3 LYS 73 far 0 55 0 - 6.0-8.0 HB3 LEU 70 - HB3 LYS 43 far 0 75 0 - 6.3-9.6 HG LEU 82 - HB2 LYS 96 far 0 68 0 - 7.6-9.9 HG2 LYS 73 - HB3 LYS 43 far 0 66 0 - 8.6-11.6 HG LEU 68 - HB2 LYS 96 far 0 94 0 - 8.8-10.0 HB3 LEU 70 - HB3 LYS 44 far 0 87 0 - 8.9-11.5 HB3 LEU 70 - HB2 LYS 44 far 0 82 0 - 8.9-11.3 HG2 LYS 73 - HB2 LYS 43 far 0 71 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (1.44, 1.91, 32.07 ppm; 2.86 A): 3 out of 20 assignments used, quality = 1.00: * HG3 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.2-2.9 2.9=93, 3905/3.0=34...(49) HG3 LYS 44 + HB2 LYS 44 OK 97 97 100 100 2.2-2.9 2.9=93, 3905/3.0=34...(49) HG2 LYS 96 + HB2 LYS 96 OK 97 97 100 100 2.3-2.6 2.9=97, 6075/3.0=37...(40) HG3 LYS 44 - HB2 LYS 43 far 0 97 0 - 4.6-6.4 HG2 LYS 39 - HB2 LYS 43 far 0 56 0 - 4.8-7.4 HG3 LYS 44 - HB3 LYS 43 far 0 92 0 - 5.5-7.1 HG2 LYS 39 - HB3 LYS 44 far 0 61 0 - 5.9-11.9 HG2 LYS 39 - HB3 LYS 43 far 0 52 0 - 6.2-8.7 HG LEU 80 - HB2 LYS 96 far 0 97 0 - 7.0-9.8 HG12 ILE 56 - HB2 LYS 44 far 0 84 0 - 7.1-11.4 HG2 LYS 39 - HB2 LYS 44 far 0 57 0 - 7.4-11.4 HG3 ARG 30 - HB2 LYS 44 far 0 75 0 - 7.6-11.2 HB3 LYS 61 - HB2 LYS 96 far 0 94 0 - 7.6-9.9 HG12 ILE 56 - HB3 LYS 44 far 0 90 0 - 8.1-11.2 HG3 ARG 30 - HB3 LYS 44 far 0 81 0 - 8.1-11.4 HG LEU 4 - HB2 LYS 44 far 0 78 0 - 8.2-13.5 HB3 LEU 4 - HB2 LYS 44 far 0 97 0 - 8.4-13.1 HG LEU 4 - HB3 LYS 44 far 0 84 0 - 9.2-13.1 HB3 LEU 4 - HB3 LYS 44 far 0 100 0 - 9.3-13.0 HB2 LEU 4 - HB2 LYS 44 far 0 97 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 3926 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 12 out of 54 assignments used, quality = 1.00: HD2 LYS 44 + HB2 LYS 44 OK 97 97 100 99 2.5-3.7 3.7=38, 3954/2.9=23...(80) HD3 LYS 44 + HB3 LYS 44 OK 94 100 95 99 2.3-4.2 3.7=38, 3954/2.9=23...(80) * HD2 LYS 44 + HB3 LYS 44 OK 79 100 80 99 2.3-4.2 3.7=38, 3954/2.9=23...(78) HD3 LYS 44 + HB2 LYS 44 OK 67 97 70 99 2.0-4.2 3.7=38, 3954/2.9=23...(82) HG3 LYS 123 + HB3 LYS 123 OK 61 61 100 99 2.9-3.0 2.9=74, 7132/7130=40...(34) HD3 LYS 96 + HB2 LYS 96 OK 60 61 100 99 3.5-4.1 3.4=46, ~6097=16...(75) HD3 LYS 43 + HB3 LYS 43 OK 57 59 100 96 2.7-3.7 3.8=33, 2.9/3824=17...(74) HD2 LYS 73 + HB2 LYS 73 OK 47 48 100 97 2.1-3.6 3.8=33, 5177/2.9=15...(80) HD3 LYS 73 + HB2 LYS 73 OK 44 45 100 97 2.0-4.0 3.8=33, 5177/2.9=15...(80) HD3 LYS 43 + HB2 LYS 43 OK 43 63 70 97 3.8-4.2 3.8=33, 2.9/3824=18...(80) HD2 LYS 73 + HB3 LYS 73 OK 41 44 95 97 2.1-4.2 3.8=33, 5177/2.9=15...(80) HD3 LYS 73 + HB3 LYS 73 OK 40 41 100 98 2.3-3.7 3.8=33, 5177/2.9=15...(80) HD2 LYS 39 - HB2 LYS 43 far 14 94 15 - 3.6-8.5 HD2 LYS 40 - HB3 LYS 43 poor 10 52 20 - 3.7-7.2 HG LEU 74 - HB2 LYS 73 poor 7 74 30 32 3.3-7.2 5234/4.3=16, 5236/2.9=7...(7) HD2 LYS 40 - HB3 LYS 44 far 6 61 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 5 56 65 13 2.9-6.0 5.3/8064=6, 6.2/6081=3 HG LEU 74 - HB3 LYS 73 far 3 69 5 - 4.1-7.3 HD2 LYS 40 - HB2 LYS 44 far 0 57 0 - 4.2-7.7 HD2 LYS 39 - HB3 LYS 43 far 0 89 0 - 4.5-9.9 HG3 LYS 39 - HB2 LYS 43 far 0 96 0 - 5.0-7.3 HD3 LYS 39 - HB2 LYS 43 far 0 95 0 - 5.1-8.1 HD3 LYS 44 - HB2 LYS 43 far 0 96 0 - 5.1-7.5 HD3 LYS 39 - HB3 LYS 43 far 0 91 0 - 5.6-9.3 HD2 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 45 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 92 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 65 0 - 6.7-10.2 HG12 ILE 71 - HB2 LYS 73 far 0 69 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 57 0 - 7.1-11.9 HG LEU 74 - HB3 LYS 43 far 0 91 0 - 7.2-9.4 HD2 LYS 39 - HB3 LYS 44 far 0 99 0 - 7.2-12.9 HD2 LYS 39 - HB2 LYS 44 far 0 95 0 - 7.2-11.8 HD3 LYS 43 - HB3 LYS 73 far 0 41 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 61 0 - 7.3-11.9 HG3 LYS 39 - HB3 LYS 44 far 0 100 0 - 7.4-11.8 HG3 LYS 39 - HB2 LYS 44 far 0 97 0 - 7.6-11.6 HD3 LYS 43 - HB3 LYS 44 far 0 70 0 - 7.7-9.9 HG LEU 74 - HB2 LYS 43 far 0 96 0 - 7.7-9.7 HD3 LYS 43 - HB2 LYS 44 far 0 64 0 - 7.8-9.0 HD3 LYS 39 - HB3 LYS 44 far 0 99 0 - 8.2-12.8 HD3 LYS 73 - HB3 LYS 43 far 0 59 0 - 8.3-12.6 HG LEU 74 - HB2 LYS 44 far 0 97 0 - 8.3-12.5 HB ILE 56 - HB3 LYS 44 far 0 87 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 100 0 - 8.7-12.3 HB ILE 56 - HB2 LYS 44 far 0 82 0 - 8.9-13.2 HD3 LYS 39 - HB2 LYS 44 far 0 96 0 - 8.9-11.5 HD3 LYS 73 - HB2 LYS 43 far 0 63 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 62 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 92 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 97 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 67 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3927 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 11 out of 47 assignments used, quality = 1.00: HD2 LYS 44 + HB2 LYS 44 OK 96 97 100 99 2.5-3.7 3.7=38, 3954/2.9=23...(80) * HD3 LYS 44 + HB3 LYS 44 OK 94 100 95 99 2.3-4.2 3.7=38, 3954/2.9=23...(79) HD2 LYS 44 + HB3 LYS 44 OK 79 100 80 99 2.3-4.2 3.7=38, 3954/2.9=23...(78) HD3 LYS 44 + HB2 LYS 44 OK 68 97 70 99 2.0-4.2 3.7=38, 3954/2.9=23...(82) HG3 LYS 123 + HB3 LYS 123 OK 59 60 100 99 2.9-3.0 2.9=74, 7132/7130=40...(34) HD3 LYS 43 + HB3 LYS 43 OK 50 52 100 96 2.7-3.7 3.8=33, 2.9/3824=17...(74) HD2 LYS 73 + HB2 LYS 73 OK 41 42 100 97 2.1-3.6 3.8=33, 5177/2.9=13...(80) HD3 LYS 73 + HB2 LYS 73 OK 38 39 100 97 2.0-4.0 3.8=33, 5177/2.9=13...(80) HD3 LYS 43 + HB2 LYS 43 OK 38 56 70 97 3.8-4.2 3.8=33, 2.9/3824=18...(80) HD2 LYS 73 + HB3 LYS 73 OK 36 39 95 97 2.1-4.2 3.8=33, 5177/2.9=13...(80) HD3 LYS 73 + HB3 LYS 73 OK 35 36 100 97 2.3-3.7 3.8=33, 5177/2.9=13...(80) HD2 LYS 39 - HB2 LYS 43 far 14 96 15 - 3.6-8.5 HG LEU 74 - HB2 LYS 73 poor 7 75 30 30 3.3-7.2 5234/4.3=16, 5236/2.9=7...(6) HG LEU 74 - HB3 LYS 73 far 4 70 5 - 4.1-7.3 HD2 LYS 39 - HB3 LYS 43 far 0 91 0 - 4.5-9.9 HG3 LYS 39 - HB2 LYS 43 far 0 95 0 - 5.0-7.3 HD3 LYS 39 - HB2 LYS 43 far 0 96 0 - 5.1-8.1 HD3 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.1-7.5 HD3 LYS 39 - HB3 LYS 43 far 0 92 0 - 5.6-9.3 HD2 LYS 44 - HB2 LYS 43 far 0 96 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 39 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 91 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 61 0 - 6.7-10.2 HG12 ILE 71 - HB2 LYS 73 far 0 66 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 92 0 - 7.2-9.4 HD2 LYS 39 - HB3 LYS 44 far 0 100 0 - 7.2-12.9 HD2 LYS 39 - HB2 LYS 44 far 0 97 0 - 7.2-11.8 HD3 LYS 43 - HB3 LYS 73 far 0 36 0 - 7.3-10.7 HG3 LYS 39 - HB3 LYS 44 far 0 99 0 - 7.4-11.8 HG3 LYS 39 - HB2 LYS 44 far 0 96 0 - 7.6-11.6 HD3 LYS 43 - HB3 LYS 44 far 0 61 0 - 7.7-9.9 HG LEU 74 - HB2 LYS 43 far 0 97 0 - 7.7-9.7 HD3 LYS 43 - HB2 LYS 44 far 0 57 0 - 7.8-9.0 HD3 LYS 39 - HB3 LYS 44 far 0 100 0 - 8.2-12.8 HD3 LYS 73 - HB3 LYS 43 far 0 52 0 - 8.3-12.6 HG LEU 74 - HB2 LYS 44 far 0 97 0 - 8.3-12.5 HB ILE 56 - HB3 LYS 44 far 0 81 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 100 0 - 8.7-12.3 HB ILE 56 - HB2 LYS 44 far 0 75 0 - 8.9-13.2 HD3 LYS 39 - HB2 LYS 44 far 0 97 0 - 8.9-11.5 HD3 LYS 73 - HB2 LYS 43 far 0 56 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 55 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 88 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 94 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 60 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3928 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 6 out of 15 assignments used, quality = 1.00: * HE2 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.0-4.9 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB3 LYS 44 OK 100 100 100 100 1.9-4.7 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB2 LYS 44 OK 92 97 95 100 2.4-5.3 5.0=40, 3.0/3953=21...(68) HE2 LYS 44 + HB2 LYS 44 OK 88 97 90 100 2.0-5.4 5.0=40, 3.0/3953=21...(68) HE3 LYS 96 + HB2 LYS 96 OK 78 97 80 100 4.3-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 96 + HB2 LYS 96 OK 68 97 70 100 4.5-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 65 - HB2 LYS 96 poor 16 75 65 33 2.8-9.7 6099/1.8=4, ~6100=4...(16) HE3 LYS 65 - HB2 LYS 96 poor 15 75 75 27 2.2-9.7 6100/1.8=6, ~6100=3...(10) HE3 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.3-8.5 HE2 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.6-9.0 HE3 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.3-9.3 HE2 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.3-9.4 HD3 ARG 30 - HB2 LYS 44 far 0 97 0 - 6.7-11.4 HD3 ARG 30 - HB3 LYS 44 far 0 100 0 - 7.2-11.2 HE3 LYS 94 - HB2 LYS 96 far 0 78 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 3929 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.0-4.9 5.0=40, 3.0/3953=20...(65) * HE3 LYS 44 + HB3 LYS 44 OK 100 100 100 100 1.9-4.7 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB2 LYS 44 OK 92 97 95 100 2.4-5.3 5.0=40, 3.0/3953=21...(68) HE2 LYS 44 + HB2 LYS 44 OK 88 97 90 100 2.0-5.4 5.0=40, 3.0/3953=21...(68) HE3 LYS 96 + HB2 LYS 96 OK 78 97 80 100 4.3-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 96 + HB2 LYS 96 OK 68 97 70 100 4.5-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 65 - HB2 LYS 96 poor 16 75 65 33 2.8-9.7 6099/1.8=4, ~6100=4...(16) HE3 LYS 65 - HB2 LYS 96 poor 15 75 75 27 2.2-9.7 6100/1.8=6, ~6100=3...(10) HE3 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.3-8.5 HE2 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.6-9.0 HE3 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.3-9.3 HE2 LYS 44 - HB3 LYS 43 far 0 92 0 - 6.3-9.4 HD3 ARG 30 - HB2 LYS 44 far 0 97 0 - 6.7-11.4 HD3 ARG 30 - HB3 LYS 44 far 0 100 0 - 7.2-11.2 HE3 LYS 94 - HB2 LYS 96 far 0 78 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 3930 from cnoeabs.peaks (7.45, 1.58, 24.91 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.4-3.3 1286=100, 1287/1.8=77...(24) Violated in 0 structures by 0.00 A. Peak 3931 from cnoeabs.peaks (4.06, 1.58, 24.91 ppm; 3.73 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.1-3.7 3904=100, 3905/1.8=76...(38) HA LYS 96 + HG3 LYS 96 OK 71 71 100 100 2.1-3.6 4.0=84, 6075/1.8=80...(61) HA GLU 69 - HG2 LYS 73 poor 16 54 30 - 4.5-8.7 HA GLU 37 - HG2 LYS 44 far 0 100 0 - 6.7-9.2 HA GLU 91 - HG3 LYS 96 far 0 57 0 - 6.9-10.2 HA GLU 69 - HG3 LYS 96 far 0 69 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 3932 from cnoeabs.peaks (1.91, 1.58, 24.91 ppm; 2.96 A): 5 out of 14 assignments used, quality = 1.00: * HB2 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 99 99 100 100 2.6-3.0 2.9=100 HB2 LYS 96 + HG3 LYS 96 OK 62 62 100 100 2.3-2.6 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 35 35 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 33 33 100 100 2.2-3.0 2.9=100 HB2 LYS 43 - HG2 LYS 44 poor 20 99 60 33 3.9-5.5 4.7/1286=22, 3902/3904=8...(4) HB2 ARG 95 - HG3 LYS 96 poor 10 52 20 - 4.1-7.0 HB2 LEU 45 - HG2 LYS 44 poor 8 97 25 33 4.2-7.5 4.0/265=21, ~11533=4...(7) HB3 LYS 43 - HG2 LYS 44 far 0 92 0 - 4.8-6.1 HB2 LYS 49 - HG2 LYS 44 far 0 87 0 - 6.0-13.9 HB ILE 71 - HG2 LYS 73 far 0 37 0 - 6.2-8.0 HB2 LEU 45 - HG2 LYS 73 far 0 52 0 - 8.0-10.5 HB3 LYS 43 - HG2 LYS 73 far 0 48 0 - 8.6-11.6 HB2 LYS 43 - HG2 LYS 73 far 0 56 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 3933 from cnoeabs.peaks (1.91, 1.58, 24.91 ppm; 2.96 A): 5 out of 14 assignments used, quality = 1.00: * HB3 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 99 99 100 100 2.6-3.0 2.9=100 HB2 LYS 96 + HG3 LYS 96 OK 70 70 100 100 2.3-2.6 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 46 46 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 44 44 100 100 2.2-3.0 2.9=100 HB2 LYS 43 - HG2 LYS 44 poor 20 100 60 33 3.9-5.5 4.7/1286=22, 3903/3904=8...(4) HB2 ARG 95 - HG3 LYS 96 poor 13 64 20 - 4.1-7.0 HB2 LEU 45 - HG2 LYS 44 poor 8 100 25 34 4.2-7.5 3997/265=21, ~11533=4...(7) HB3 LYS 43 - HG2 LYS 44 far 0 99 0 - 4.8-6.1 HB2 LYS 49 - HG2 LYS 44 far 0 97 0 - 6.0-13.9 HB ILE 71 - HG2 LYS 73 far 0 48 0 - 6.2-8.0 HB2 LEU 45 - HG2 LYS 73 far 0 57 0 - 8.0-10.5 HB3 LYS 43 - HG2 LYS 73 far 0 55 0 - 8.6-11.6 HB2 LYS 43 - HG2 LYS 73 far 0 57 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (1.58, 1.58, 24.91 ppm; diagonal): 3 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 10 assignments used, quality = 1.00: * HG3 LYS 44 + HG2 LYS 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 96 + HG3 LYS 96 OK 73 73 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HG2 LYS 44 far 0 61 0 - 6.0-10.6 HG LEU 4 - HG2 LYS 44 far 0 84 0 - 7.9-13.6 HG3 ARG 30 - HG2 LYS 44 far 0 81 0 - 8.1-11.6 HG12 ILE 56 - HG2 LYS 44 far 0 90 0 - 8.2-11.5 HB3 LYS 61 - HG3 LYS 96 far 0 69 0 - 8.3-11.5 HB2 LEU 4 - HG2 LYS 44 far 0 100 0 - 9.2-14.2 HB3 LEU 4 - HG2 LYS 44 far 0 100 0 - 9.2-13.3 HG LEU 80 - HG3 LYS 96 far 0 72 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (1.70, 1.58, 24.91 ppm; 2.65 A): 5 out of 19 assignments used, quality = 1.00: * HD2 LYS 44 + HG2 LYS 44 OK 99 100 100 99 2.3-3.0 2.9=73, 1.8/3954=35...(67) HD3 LYS 44 + HG2 LYS 44 OK 99 100 100 99 2.3-2.7 2.9=73, 1.8/3954=35...(68) HD3 LYS 96 + HG3 LYS 96 OK 40 41 100 99 2.3-3.0 3.0=71, 1.8/6126=28...(87) HD2 LYS 73 + HG2 LYS 73 OK 35 35 100 99 2.4-3.0 3.0=72, 1.8/5187=25...(76) HD3 LYS 73 + HG2 LYS 73 OK 32 33 100 99 2.3-3.0 3.0=72, 1.8/5177=25...(76) HD2 LYS 40 - HG2 LYS 44 poor 18 61 30 - 3.5-7.1 HG LEU 74 - HG2 LYS 73 poor 9 56 45 34 2.4-7.0 5234/456=10, 5236/1.8=9...(7) HD3 LYS 43 - HG2 LYS 73 far 0 33 0 - 5.6-9.2 HG3 LYS 39 - HG2 LYS 44 far 0 100 0 - 6.3-10.6 HG12 ILE 71 - HG2 LYS 73 far 0 52 0 - 6.4-8.4 HD3 LYS 39 - HG2 LYS 44 far 0 99 0 - 6.9-10.8 HD2 LYS 39 - HG2 LYS 44 far 0 99 0 - 7.1-12.0 HB ILE 54 - HG2 LYS 44 far 0 61 0 - 7.4-11.7 HD3 LYS 43 - HG2 LYS 44 far 0 70 0 - 7.5-8.9 HG12 ILE 71 - HG2 LYS 44 far 0 97 0 - 7.8-14.5 HG LEU 74 - HG2 LYS 44 far 0 100 0 - 8.5-12.5 HD2 LYS 39 - HG2 LYS 73 far 0 55 0 - 9.3-17.0 HD3 LYS 39 - HG2 LYS 73 far 0 56 0 - 9.4-16.3 HB3 LYS 106 - HG3 LYS 96 far 0 52 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 3937 from cnoeabs.peaks (1.70, 1.58, 24.91 ppm; 2.65 A): 4 out of 16 assignments used, quality = 1.00: * HD3 LYS 44 + HG2 LYS 44 OK 99 100 100 99 2.3-2.7 2.9=73, 1.8/3954=35...(68) HD2 LYS 44 + HG2 LYS 44 OK 99 100 100 99 2.3-3.0 2.9=73, 1.8/3954=35...(67) HD2 LYS 73 + HG2 LYS 73 OK 30 31 100 99 2.4-3.0 3.0=72, 1.8/5187=25...(76) HD3 LYS 73 + HG2 LYS 73 OK 28 28 100 99 2.3-3.0 3.0=72, 1.8/5177=25...(76) HG LEU 74 - HG2 LYS 73 poor 9 57 45 34 2.4-7.0 5234/456=10, 5236/1.8=9...(7) HD3 LYS 43 - HG2 LYS 73 far 0 28 0 - 5.6-9.2 HG3 LYS 39 - HG2 LYS 44 far 0 99 0 - 6.3-10.6 HG12 ILE 71 - HG2 LYS 73 far 0 49 0 - 6.4-8.4 HD3 LYS 39 - HG2 LYS 44 far 0 100 0 - 6.9-10.8 HD2 LYS 39 - HG2 LYS 44 far 0 100 0 - 7.1-12.0 HD3 LYS 43 - HG2 LYS 44 far 0 61 0 - 7.5-8.9 HG12 ILE 71 - HG2 LYS 44 far 0 94 0 - 7.8-14.5 HG LEU 74 - HG2 LYS 44 far 0 100 0 - 8.5-12.5 HD2 LYS 39 - HG2 LYS 73 far 0 56 0 - 9.3-17.0 HD3 LYS 39 - HG2 LYS 73 far 0 57 0 - 9.4-16.3 HB3 LYS 106 - HG3 LYS 96 far 0 57 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 3938 from cnoeabs.peaks (2.93, 1.58, 24.91 ppm; 3.54 A): 4 out of 8 assignments used, quality = 1.00: HE3 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.2-4.2 3.7=85, 3.0/3954=37...(56) * HE2 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.4-4.2 3.7=85, 3.0/3954=37...(56) HE2 LYS 96 + HG3 LYS 96 OK 73 73 100 100 2.1-4.1 3.8=81, 3.0/6126=29...(84) HE3 LYS 96 + HG3 LYS 96 OK 73 73 100 100 2.2-3.6 3.8=81, 3.0/6126=29...(84) HE3 LYS 65 - HG3 LYS 96 poor 13 52 25 - 3.6-10.2 HE2 LYS 65 - HG3 LYS 96 poor 13 52 25 - 4.7-9.9 HE3 LYS 94 - HG3 LYS 96 far 0 55 0 - 8.1-12.2 HD3 ARG 30 - HG2 LYS 44 far 0 100 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 3939 from cnoeabs.peaks (2.93, 1.58, 24.91 ppm; 3.54 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.2-4.2 3.7=85, 3.0/3954=37...(56) HE2 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.4-4.2 3.7=85, 3.0/3954=37...(56) HE2 LYS 96 + HG3 LYS 96 OK 73 73 100 100 2.1-4.1 3.8=81, 3.0/6126=29...(84) HE3 LYS 96 + HG3 LYS 96 OK 73 73 100 100 2.2-3.6 3.8=81, 3.0/6126=29...(84) HE3 LYS 65 - HG3 LYS 96 poor 13 52 25 - 3.6-10.2 HE2 LYS 65 - HG3 LYS 96 poor 13 52 25 - 4.7-9.9 HE3 LYS 94 - HG3 LYS 96 far 0 55 0 - 8.1-12.2 HD3 ARG 30 - HG2 LYS 44 far 0 100 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 3940 from cnoeabs.peaks (7.45, 1.44, 24.91 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.7-4.4 1287=100, 1286/1.8=99...(22) Violated in 0 structures by 0.00 A. Peak 3941 from cnoeabs.peaks (4.06, 1.44, 24.91 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 44 + HG3 LYS 44 OK 100 100 100 100 3.0-4.2 3905=82, 3904/1.8=71...(41) HA LYS 96 + HG2 LYS 96 OK 99 99 100 100 2.4-3.7 6075=97, 6076/1.8=63...(62) HA GLU 37 - HG3 LYS 44 far 0 100 0 - 6.1-8.3 HA GLU 91 - HG2 LYS 96 far 0 86 0 - 8.5-10.6 Violated in 2 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (1.91, 1.44, 24.91 ppm; 3.00 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 99 99 100 100 2.2-2.9 2.9=100 HB2 LYS 96 + HG2 LYS 96 OK 91 91 100 100 2.3-2.6 2.9=100 HB2 LYS 43 - HG3 LYS 44 far 0 99 0 - 4.6-6.4 HB2 ARG 95 - HG2 LYS 96 far 0 80 0 - 5.3-7.3 HB3 LYS 43 - HG3 LYS 44 far 0 92 0 - 5.5-7.1 HB2 LEU 45 - HG3 LYS 44 far 0 97 0 - 5.9-7.5 HB2 LYS 49 - HG3 LYS 44 far 0 87 0 - 6.1-14.3 Violated in 0 structures by 0.00 A. Peak 3943 from cnoeabs.peaks (1.91, 1.44, 24.91 ppm; 3.00 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.2-2.9 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 99 99 100 100 2.2-2.9 2.9=100 HB2 LYS 96 + HG2 LYS 96 OK 98 98 100 100 2.3-2.6 2.9=100 HB2 LYS 43 - HG3 LYS 44 far 0 100 0 - 4.6-6.4 HB2 ARG 95 - HG2 LYS 96 far 0 93 0 - 5.3-7.3 HB3 LYS 43 - HG3 LYS 44 far 0 99 0 - 5.5-7.1 HB2 LEU 45 - HG3 LYS 44 far 0 100 0 - 5.9-7.5 HB2 LYS 49 - HG3 LYS 44 far 0 97 0 - 6.1-14.3 Violated in 0 structures by 0.00 A. Peak 3944 from cnoeabs.peaks (1.58, 1.44, 24.91 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 96 + HG2 LYS 96 OK 86 86 100 100 1.8-1.8 1.8=100 HG LEU 82 - HG2 LYS 96 far 0 73 0 - 9.1-11.7 HB3 LEU 70 - HG3 LYS 44 far 0 87 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. 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): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.0 2.9=86, 3954/1.8=38...(70) HD3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.5-3.0 2.9=86, 3954/1.8=38...(71) HD3 LYS 96 + HG2 LYS 96 OK 65 65 100 100 2.3-3.0 3.0=83, 1.8/6125=36...(90) HD2 LYS 40 - HG3 LYS 44 far 0 61 0 - 4.3-6.9 HG3 LYS 39 - HG3 LYS 44 far 0 100 0 - 5.9-11.5 HB ILE 54 - HG3 LYS 44 far 0 61 0 - 7.3-10.5 HD3 LYS 39 - HG3 LYS 44 far 0 99 0 - 7.7-12.0 HD2 LYS 39 - HG3 LYS 44 far 0 99 0 - 7.8-11.7 HD3 LYS 43 - HG3 LYS 44 far 0 70 0 - 8.4-10.4 HG12 ILE 71 - HG3 LYS 44 far 0 97 0 - 8.6-14.7 HB ILE 56 - HG3 LYS 44 far 0 87 0 - 9.1-12.6 HG LEU 74 - HG3 LYS 44 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3947 from cnoeabs.peaks (1.70, 1.44, 24.91 ppm; 2.80 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.5-3.0 2.9=86, 3954/1.8=38...(71) HD2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.0 2.9=86, 3954/1.8=38...(70) HG3 LYS 39 - HG3 LYS 44 far 0 99 0 - 5.9-11.5 HD3 LYS 39 - HG3 LYS 44 far 0 100 0 - 7.7-12.0 HD2 LYS 39 - HG3 LYS 44 far 0 100 0 - 7.8-11.7 HD3 LYS 43 - HG3 LYS 44 far 0 61 0 - 8.4-10.4 HG12 ILE 71 - HG3 LYS 44 far 0 94 0 - 8.6-14.7 HB ILE 56 - HG3 LYS 44 far 0 81 0 - 9.1-12.6 HG LEU 74 - HG3 LYS 44 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3948 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 4 out of 8 assignments used, quality = 1.00: HE3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=82, 3.0/3947=33...(56) * HE2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.9 3.7=82, 3.0/3947=33...(56) HE3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=79, 3.0/6125=35...(84) HE2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=79, 3.0/6125=35...(84) HE3 LYS 65 - HG2 LYS 96 poor 13 80 65 24 2.5-9.2 6099/2.9=4, 6080/6075=2...(11) HE2 LYS 65 - HG2 LYS 96 poor 8 80 40 26 3.5-9.2 6100/2.9=3, ~6100=3...(8) HD3 ARG 30 - HG3 LYS 44 far 0 100 0 - 6.4-9.6 HE3 LYS 94 - HG2 LYS 96 far 0 83 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 3949 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=82, 3.0/3947=33...(56) HE2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.9 3.7=82, 3.0/3947=33...(56) HE3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=79, 3.0/6125=35...(84) HE2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=79, 3.0/6125=35...(84) HE3 LYS 65 - HG2 LYS 96 poor 13 80 65 24 2.5-9.2 6099/2.9=4, 6080/6075=2...(11) HE2 LYS 65 - HG2 LYS 96 poor 8 80 40 26 3.5-9.2 6100/2.9=3, ~6100=3...(8) HD3 ARG 30 - HG3 LYS 44 far 0 100 0 - 6.4-9.6 HE3 LYS 94 - HG2 LYS 96 far 0 83 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 3950 from cnoeabs.peaks (7.45, 1.70, 29.13 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 44 + HD2 LYS 44 OK 100 100 100 100 4.4-5.2 1286/2.9=79, 1287/2.9=70...(25) H LYS 44 + HD3 LYS 44 OK 100 100 100 100 3.2-5.1 1286/2.9=79, 1287/2.9=70...(25) H LYS 44 - HD2 LYS 39 far 4 83 5 - 5.8-10.1 H LYS 44 - HD3 LYS 39 far 0 85 0 - 7.3-9.7 Violated in 6 structures by 0.01 A. Peak 3951 from cnoeabs.peaks (4.06, 1.70, 29.13 ppm; 3.29 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.5-4.8 3904/2.9=50, 3905/2.9=46...(54) HA LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.6-4.8 3904/2.9=50, 3905/2.9=46...(55) HA SER 35 - HD2 LYS 39 poor 11 57 20 - 4.2-7.6 HA GLU 37 - HD2 LYS 39 far 4 82 5 - 4.8-8.2 HA SER 35 - HD3 LYS 39 far 3 59 5 - 4.1-7.8 HA GLU 37 - HD3 LYS 39 far 0 84 0 - 4.9-9.3 HA GLU 37 - HD2 LYS 44 far 0 100 0 - 5.7-10.5 HA GLU 37 - HD3 LYS 44 far 0 100 0 - 6.0-10.5 HA LYS 44 - HD2 LYS 39 far 0 83 0 - 7.8-11.9 HA LYS 44 - HD3 LYS 39 far 0 85 0 - 8.5-11.8 Violated in 8 structures by 0.05 A. Peak 3952 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.63 A): 4 out of 26 assignments used, quality = 1.00: * HB2 LYS 44 + HD2 LYS 44 OK 99 100 100 99 2.5-3.7 3.7=37, 2.9/3954=22...(82) HB3 LYS 44 + HD3 LYS 44 OK 92 98 95 99 2.3-4.2 3.7=37, 2.9/3954=22...(84) HB3 LYS 44 + HD2 LYS 44 OK 78 99 80 99 2.3-4.2 3.7=37, 2.9/3954=22...(79) HB2 LYS 44 + HD3 LYS 44 OK 69 100 70 99 2.0-4.2 3.7=37, 2.9/3954=22...(86) HB2 LYS 43 - HD2 LYS 39 far 12 81 15 - 3.6-8.5 HB ILE 15 - HD3 LYS 16 lone 9 66 80 17 1.9-5.4 77/1109=11, ~9179=3...(4) HB ILE 15 - HD2 LYS 16 lone 7 51 75 17 2.7-5.7 77/1109=11, ~9179=3...(4) HB2 LYS 49 - HD3 LYS 44 far 4 86 5 - 3.4-14.4 HB3 LYS 43 - HD2 LYS 39 far 0 71 0 - 4.5-9.9 HB2 LEU 45 - HD2 LYS 44 far 0 97 0 - 4.8-8.9 HB2 LEU 45 - HD3 LYS 44 far 0 96 0 - 4.9-9.2 HB2 LYS 49 - HD2 LYS 44 far 0 87 0 - 4.9-13.9 HB2 LYS 43 - HD3 LYS 39 far 0 83 0 - 5.1-8.1 HB2 LYS 43 - HD3 LYS 44 far 0 99 0 - 5.1-7.5 HB3 LYS 43 - HD3 LYS 39 far 0 73 0 - 5.6-9.3 HB2 LYS 43 - HD2 LYS 44 far 0 99 0 - 5.8-7.6 HB3 LYS 17 - HD3 LYS 16 far 0 55 0 - 6.2-8.3 HB3 LYS 43 - HD3 LYS 44 far 0 91 0 - 6.4-8.0 HB3 LYS 43 - HD2 LYS 44 far 0 92 0 - 6.7-8.0 HB3 LYS 17 - HD2 LYS 16 far 0 42 0 - 6.7-8.7 HB3 LYS 44 - HD2 LYS 39 far 0 80 0 - 7.2-12.9 HB2 LYS 44 - HD2 LYS 39 far 0 83 0 - 7.2-11.8 HB3 LYS 44 - HD3 LYS 39 far 0 82 0 - 8.2-12.8 HB2 LYS 44 - HD3 LYS 39 far 0 85 0 - 8.9-11.5 HB ILE 7 - HD3 LYS 16 far 0 34 0 - 9.4-14.1 HB2 LEU 45 - HD2 LYS 39 far 0 77 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 3953 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.63 A): 4 out of 30 assignments used, quality = 1.00: HB2 LYS 44 + HD2 LYS 44 OK 98 99 100 99 2.5-3.7 3.7=37, 2.9/3954=22...(82) HB3 LYS 44 + HD3 LYS 44 OK 94 100 95 99 2.3-4.2 3.7=37, 2.9/3954=22...(84) * HB3 LYS 44 + HD2 LYS 44 OK 79 100 80 99 2.3-4.2 3.7=37, 2.9/3954=22...(79) HB2 LYS 44 + HD3 LYS 44 OK 68 98 70 99 2.0-4.2 3.7=37, 2.9/3954=22...(86) HB2 LYS 43 - HD2 LYS 39 far 12 83 15 - 3.6-8.5 HB ILE 15 - HD3 LYS 16 lone 7 59 80 16 1.9-5.4 77/1109=10, ~9179=3, ~2418=2 HB ILE 15 - HD2 LYS 16 lone 5 45 75 16 2.7-5.7 77/1109=10, ~9179=3, ~2418=2 HB2 LYS 49 - HD3 LYS 44 far 5 96 5 - 3.4-14.4 HB3 LYS 43 - HD2 LYS 39 far 0 80 0 - 4.5-9.9 HB2 LEU 45 - HD2 LYS 44 far 0 100 0 - 4.8-8.9 HB2 LEU 45 - HD3 LYS 44 far 0 100 0 - 4.9-9.2 HB2 LYS 49 - HD2 LYS 44 far 0 97 0 - 4.9-13.9 HB2 LYS 43 - HD3 LYS 39 far 0 85 0 - 5.1-8.1 HB2 LYS 43 - HD3 LYS 44 far 0 100 0 - 5.1-7.5 HB3 LYS 43 - HD3 LYS 39 far 0 82 0 - 5.6-9.3 HB2 LYS 43 - HD2 LYS 44 far 0 100 0 - 5.8-7.6 HB3 LYS 17 - HD3 LYS 16 far 0 42 0 - 6.2-8.3 HB3 LYS 43 - HD3 LYS 44 far 0 98 0 - 6.4-8.0 HB3 LYS 43 - HD2 LYS 44 far 0 99 0 - 6.7-8.0 HB3 LYS 17 - HD2 LYS 16 far 0 32 0 - 6.7-8.7 HB3 LYS 44 - HD2 LYS 39 far 0 83 0 - 7.2-12.9 HB2 LYS 44 - HD2 LYS 39 far 0 80 0 - 7.2-11.8 HB3 LYS 20 - HD2 LYS 16 far 0 32 0 - 7.6-10.2 HB2 LYS 20 - HD2 LYS 16 far 0 32 0 - 7.7-9.9 HB3 LYS 20 - HD3 LYS 16 far 0 42 0 - 8.0-11.1 HB3 LYS 44 - HD3 LYS 39 far 0 85 0 - 8.2-12.8 HB2 LYS 20 - HD3 LYS 16 far 0 42 0 - 8.4-10.7 HB2 LYS 44 - HD3 LYS 39 far 0 82 0 - 8.9-11.5 HB ILE 7 - HD3 LYS 16 far 0 48 0 - 9.4-14.1 HB2 LEU 45 - HD2 LYS 39 far 0 82 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (1.58, 1.70, 29.13 ppm; 2.40 A): 2 out of 14 assignments used, quality = 1.00: HG2 LYS 44 + HD3 LYS 44 OK 97 100 100 97 2.3-2.7 2.9=54, 1.8/3947=24...(63) * HG2 LYS 44 + HD2 LYS 44 OK 97 100 100 97 2.3-3.0 2.9=54, 1.8/3947=24...(62) HD3 LYS 19 - HD2 LYS 16 poor 16 40 40 - 3.3-9.5 HD3 LYS 19 - HD3 LYS 16 far 8 52 15 - 3.4-8.2 HD2 LYS 19 - HD3 LYS 16 lone 1 52 45 5 2.9-7.9 11220/5.2=3, 456/1490=1 HD2 LYS 19 - HD2 LYS 16 lone 1 40 55 5 3.0-8.8 11220/5.2=3, 456/1109=1 HG3 LYS 19 - HD3 LYS 16 far 0 48 0 - 5.0-8.7 HG3 LYS 19 - HD2 LYS 16 far 0 36 0 - 5.2-8.8 HB3 LEU 70 - HD2 LYS 39 far 0 66 0 - 6.8-12.1 HG2 LYS 44 - HD3 LYS 39 far 0 85 0 - 6.9-10.8 HB3 LEU 70 - HD3 LYS 39 far 0 68 0 - 7.0-12.7 HG2 LYS 44 - HD2 LYS 39 far 0 83 0 - 7.1-12.0 HG2 LYS 73 - HD2 LYS 39 far 0 57 0 - 9.3-17.0 HG2 LYS 73 - HD3 LYS 39 far 0 59 0 - 9.4-16.3 Violated in 4 structures by 0.01 A. Peak 3955 from cnoeabs.peaks (1.44, 1.70, 29.13 ppm; 2.64 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 44 + HD2 LYS 44 OK 99 100 100 99 2.3-3.0 2.9=72, 1.8/3954=35...(66) HG3 LYS 44 + HD3 LYS 44 OK 99 100 100 99 2.5-3.0 2.9=72, 1.8/3954=35...(68) HG2 LYS 39 + HD3 LYS 39 OK 43 46 100 93 2.3-3.0 3.0=71, 3594/1.8=11...(44) HG2 LYS 39 + HD2 LYS 39 OK 41 44 100 94 2.3-3.0 3.0=71, 3594/1.8=11...(44) HG3 LYS 17 - HD3 LYS 16 far 0 59 0 - 6.1-9.0 HG3 LYS 17 - HD2 LYS 16 far 0 45 0 - 6.5-8.4 HG2 LYS 39 - HD3 LYS 44 far 0 61 0 - 7.2-12.6 HG LEU 4 - HD2 LYS 44 far 0 84 0 - 7.2-13.9 HG3 ARG 30 - HD2 LYS 44 far 0 81 0 - 7.4-11.7 HG3 LYS 44 - HD3 LYS 39 far 0 85 0 - 7.7-12.0 HG3 LYS 44 - HD2 LYS 39 far 0 83 0 - 7.8-11.7 HB3 LEU 63 - HD3 LYS 39 far 0 68 0 - 8.0-12.5 HB3 LEU 63 - HD2 LYS 39 far 0 66 0 - 8.1-11.8 HG2 LYS 39 - HD2 LYS 44 far 0 61 0 - 8.3-12.8 HG12 ILE 56 - HD2 LYS 44 far 0 90 0 - 8.4-12.0 HG LEU 4 - HD3 LYS 44 far 0 83 0 - 8.4-14.5 HG3 ARG 30 - HD3 LYS 44 far 0 80 0 - 8.6-11.7 HG12 ILE 56 - HD3 LYS 44 far 0 89 0 - 8.9-12.6 HB2 LEU 4 - HD2 LYS 44 far 0 100 0 - 8.9-14.6 HB3 LEU 4 - HD2 LYS 44 far 0 100 0 - 9.0-13.6 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (1.70, 1.70, 29.13 ppm; diagonal): 6 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): 6 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 13 assignments used, quality = 1.00: HE3 LYS 44 + HD2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=77, 3.7/3954=16...(40) * HE2 LYS 44 + HD2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=77, 3.7/3954=16...(40) HE3 LYS 44 + HD3 LYS 44 OK 98 100 100 98 2.4-3.0 3.0=77, 3.7/3954=16...(40) HE2 LYS 44 + HD3 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=77, 3.7/3954=16...(40) HD3 ARG 30 - HD3 LYS 44 far 0 99 0 - 6.3-11.2 HE2 LYS 44 - HD3 LYS 39 far 0 85 0 - 6.7-13.4 HE2 LYS 44 - HD2 LYS 39 far 0 83 0 - 6.8-14.8 HD3 ARG 30 - HD2 LYS 44 far 0 100 0 - 6.8-11.8 HE3 LYS 44 - HD2 LYS 39 far 0 83 0 - 6.8-13.7 HE3 LYS 44 - HD3 LYS 39 far 0 85 0 - 7.0-13.5 HE2 LYS 65 - HD3 LYS 39 far 0 62 0 - 8.8-19.6 HE2 LYS 65 - HD2 LYS 39 far 0 60 0 - 9.4-19.8 HE3 LYS 65 - HD3 LYS 39 far 0 62 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3959 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 2.72 A): 4 out of 13 assignments used, quality = 1.00: * HE3 LYS 44 + HD2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=77, 3.7/3954=16...(40) HE2 LYS 44 + HD2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=77, 3.7/3954=16...(40) HE3 LYS 44 + HD3 LYS 44 OK 98 100 100 98 2.4-3.0 3.0=77, 3.7/3954=16...(40) HE2 LYS 44 + HD3 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=77, 3.7/3954=16...(40) HD3 ARG 30 - HD3 LYS 44 far 0 99 0 - 6.3-11.2 HE2 LYS 44 - HD3 LYS 39 far 0 85 0 - 6.7-13.4 HE2 LYS 44 - HD2 LYS 39 far 0 83 0 - 6.8-14.8 HD3 ARG 30 - HD2 LYS 44 far 0 100 0 - 6.8-11.8 HE3 LYS 44 - HD2 LYS 39 far 0 83 0 - 6.8-13.7 HE3 LYS 44 - HD3 LYS 39 far 0 85 0 - 7.0-13.5 HE2 LYS 65 - HD3 LYS 39 far 0 62 0 - 8.8-19.6 HE2 LYS 65 - HD2 LYS 39 far 0 60 0 - 9.4-19.8 HE3 LYS 65 - HD3 LYS 39 far 0 62 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3960 from cnoeabs.peaks (7.45, 1.70, 29.13 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 44 + HD3 LYS 44 OK 100 100 100 100 3.2-5.1 1286/2.9=81, 1287/2.9=71...(25) H LYS 44 + HD2 LYS 44 OK 100 100 100 100 4.4-5.2 1286/2.9=81, 1287/2.9=71...(25) H LYS 44 - HD2 LYS 39 far 9 86 10 - 5.8-10.1 H LYS 44 - HD3 LYS 39 far 0 87 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 3961 from cnoeabs.peaks (4.06, 1.70, 29.13 ppm; 3.32 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.6-4.8 3904/2.9=51, 3905/2.9=47...(55) HA LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.5-4.8 3904/2.9=51, 3905/2.9=47...(54) HA SER 35 - HD2 LYS 39 poor 12 60 20 - 4.2-7.6 HA GLU 37 - HD2 LYS 39 far 9 86 10 - 4.8-8.2 HA SER 35 - HD3 LYS 39 far 3 61 5 - 4.1-7.8 HA GLU 37 - HD3 LYS 39 far 0 87 0 - 4.9-9.3 HA GLU 37 - HD2 LYS 44 far 0 100 0 - 5.7-10.5 HA GLU 37 - HD3 LYS 44 far 0 100 0 - 6.0-10.5 HA LYS 44 - HD2 LYS 39 far 0 86 0 - 7.8-11.9 HA LYS 44 - HD3 LYS 39 far 0 87 0 - 8.5-11.8 Violated in 8 structures by 0.04 A. Peak 3962 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.71 A): 4 out of 24 assignments used, quality = 1.00: HB2 LYS 44 + HD2 LYS 44 OK 99 100 100 99 2.5-3.7 3.7=40, 2.9/3954=23...(84) HB3 LYS 44 + HD3 LYS 44 OK 98 99 100 99 2.3-4.2 3.7=40, 2.9/3954=23...(84) * HB2 LYS 44 + HD3 LYS 44 OK 94 100 95 99 2.0-4.2 3.7=40, 2.9/3954=23...(86) HB3 LYS 44 + HD2 LYS 44 OK 83 98 85 99 2.3-4.2 3.7=40, 2.9/3954=23...(80) HB2 LYS 43 - HD2 LYS 39 far 13 84 15 - 3.6-8.5 HB ILE 15 - HD3 LYS 16 lone 8 56 80 18 1.9-5.4 77/1490=11, ~9179=4...(4) HB2 LYS 49 - HD3 LYS 44 far 4 87 5 - 3.4-14.4 HB3 LYS 43 - HD2 LYS 39 far 0 74 0 - 4.5-9.9 HB2 LEU 45 - HD2 LYS 44 far 0 96 0 - 4.8-8.9 HB2 LEU 45 - HD3 LYS 44 far 0 97 0 - 4.9-9.2 HB2 LYS 49 - HD2 LYS 44 far 0 86 0 - 4.9-13.9 HB2 LYS 43 - HD3 LYS 39 far 0 85 0 - 5.1-8.1 HB2 LYS 43 - HD3 LYS 44 far 0 99 0 - 5.1-7.5 HB3 LYS 43 - HD3 LYS 39 far 0 75 0 - 5.6-9.3 HB2 LYS 43 - HD2 LYS 44 far 0 99 0 - 5.8-7.6 HB3 LYS 17 - HD3 LYS 16 far 0 46 0 - 6.2-8.3 HB3 LYS 43 - HD3 LYS 44 far 0 92 0 - 6.4-8.0 HB3 LYS 43 - HD2 LYS 44 far 0 91 0 - 6.7-8.0 HB3 LYS 44 - HD2 LYS 39 far 0 83 0 - 7.2-12.9 HB2 LYS 44 - HD2 LYS 39 far 0 86 0 - 7.2-11.8 HB3 LYS 44 - HD3 LYS 39 far 0 84 0 - 8.2-12.8 HB2 LYS 44 - HD3 LYS 39 far 0 87 0 - 8.9-11.5 HB ILE 7 - HD3 LYS 16 far 0 29 0 - 9.4-14.1 HB2 LEU 45 - HD2 LYS 39 far 0 80 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 3963 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.71 A): 4 out of 26 assignments used, quality = 1.00: * HB3 LYS 44 + HD3 LYS 44 OK 99 100 100 99 2.3-4.2 3.7=40, 2.9/3954=23...(84) HB2 LYS 44 + HD2 LYS 44 OK 98 98 100 99 2.5-3.7 3.7=40, 2.9/3954=23...(84) HB2 LYS 44 + HD3 LYS 44 OK 93 99 95 99 2.0-4.2 3.7=40, 2.9/3954=23...(86) HB3 LYS 44 + HD2 LYS 44 OK 84 100 85 99 2.3-4.2 3.7=40, 2.9/3954=23...(80) HB2 LYS 43 - HD2 LYS 39 far 13 86 15 - 3.6-8.5 HB ILE 15 - HD3 LYS 16 lone 6 50 80 16 1.9-5.4 77/1490=10, ~9179=4, ~2418=2 HB2 LYS 49 - HD3 LYS 44 far 5 97 5 - 3.4-14.4 HB3 LYS 43 - HD2 LYS 39 far 0 83 0 - 4.5-9.9 HB2 LEU 45 - HD2 LYS 44 far 0 100 0 - 4.8-8.9 HB2 LEU 45 - HD3 LYS 44 far 0 100 0 - 4.9-9.2 HB2 LYS 49 - HD2 LYS 44 far 0 96 0 - 4.9-13.9 HB2 LYS 43 - HD3 LYS 39 far 0 87 0 - 5.1-8.1 HB2 LYS 43 - HD3 LYS 44 far 0 100 0 - 5.1-7.5 HB3 LYS 43 - HD3 LYS 39 far 0 84 0 - 5.6-9.3 HB2 LYS 43 - HD2 LYS 44 far 0 100 0 - 5.8-7.6 HB3 LYS 17 - HD3 LYS 16 far 0 35 0 - 6.2-8.3 HB3 LYS 43 - HD3 LYS 44 far 0 99 0 - 6.4-8.0 HB3 LYS 43 - HD2 LYS 44 far 0 98 0 - 6.7-8.0 HB3 LYS 44 - HD2 LYS 39 far 0 86 0 - 7.2-12.9 HB2 LYS 44 - HD2 LYS 39 far 0 83 0 - 7.2-11.8 HB3 LYS 20 - HD3 LYS 16 far 0 35 0 - 8.0-11.1 HB3 LYS 44 - HD3 LYS 39 far 0 87 0 - 8.2-12.8 HB2 LYS 20 - HD3 LYS 16 far 0 35 0 - 8.4-10.7 HB2 LYS 44 - HD3 LYS 39 far 0 84 0 - 8.9-11.5 HB ILE 7 - HD3 LYS 16 far 0 40 0 - 9.4-14.1 HB2 LEU 45 - HD2 LYS 39 far 0 86 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 3964 from cnoeabs.peaks (1.58, 1.70, 29.13 ppm; 2.51 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 44 + HD3 LYS 44 OK 98 100 100 98 2.3-2.7 2.9=62, 1.8/3947=27...(67) HG2 LYS 44 + HD2 LYS 44 OK 98 100 100 98 2.3-3.0 2.9=62, 1.8/3947=27...(67) HD2 LYS 19 - HD3 LYS 16 poor 20 44 45 - 2.9-7.9 HD3 LYS 19 - HD3 LYS 16 far 7 44 15 - 3.4-8.2 HG3 LYS 19 - HD3 LYS 16 far 0 40 0 - 5.0-8.7 HB3 LEU 70 - HD2 LYS 39 far 0 69 0 - 6.8-12.1 HG2 LYS 44 - HD3 LYS 39 far 0 87 0 - 6.9-10.8 HB3 LEU 70 - HD3 LYS 39 far 0 70 0 - 7.0-12.7 HG2 LYS 44 - HD2 LYS 39 far 0 86 0 - 7.1-12.0 HG2 LYS 73 - HD2 LYS 39 far 0 60 0 - 9.3-17.0 HG2 LYS 73 - HD3 LYS 39 far 0 61 0 - 9.4-16.3 Violated in 0 structures by 0.00 A. Peak 3965 from cnoeabs.peaks (1.44, 1.70, 29.13 ppm; 2.70 A): 4 out of 19 assignments used, quality = 1.00: * HG3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.5-3.0 2.9=78, 1.8/3954=36...(68) HG3 LYS 44 + HD2 LYS 44 OK 99 100 100 99 2.3-3.0 2.9=78, 1.8/3954=36...(67) HG2 LYS 39 + HD3 LYS 39 OK 45 47 100 95 2.3-3.0 3.0=76, 3594/1.8=11...(45) HG2 LYS 39 + HD2 LYS 39 OK 44 47 100 95 2.3-3.0 3.0=76, 3594/1.8=11...(45) HG3 LYS 17 - HD3 LYS 16 far 0 50 0 - 6.1-9.0 HG2 LYS 39 - HD3 LYS 44 far 0 61 0 - 7.2-12.6 HG LEU 4 - HD2 LYS 44 far 0 83 0 - 7.2-13.9 HG3 ARG 30 - HD2 LYS 44 far 0 80 0 - 7.4-11.7 HG3 LYS 44 - HD3 LYS 39 far 0 87 0 - 7.7-12.0 HG3 LYS 44 - HD2 LYS 39 far 0 86 0 - 7.8-11.7 HB3 LEU 63 - HD3 LYS 39 far 0 70 0 - 8.0-12.5 HB3 LEU 63 - HD2 LYS 39 far 0 69 0 - 8.1-11.8 HG2 LYS 39 - HD2 LYS 44 far 0 61 0 - 8.3-12.8 HG12 ILE 56 - HD2 LYS 44 far 0 89 0 - 8.4-12.0 HG LEU 4 - HD3 LYS 44 far 0 84 0 - 8.4-14.5 HG3 ARG 30 - HD3 LYS 44 far 0 81 0 - 8.6-11.7 HG12 ILE 56 - HD3 LYS 44 far 0 90 0 - 8.9-12.6 HB2 LEU 4 - HD2 LYS 44 far 0 100 0 - 8.9-14.6 HB3 LEU 4 - HD2 LYS 44 far 0 100 0 - 9.0-13.6 Violated in 0 structures by 0.00 A. Peak 3966 from cnoeabs.peaks (1.70, 1.70, 29.13 ppm; diagonal): 5 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): 5 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 13 assignments used, quality = 1.00: HE3 LYS 44 + HD3 LYS 44 OK 99 100 100 99 2.4-3.0 3.0=84, 3.7/3954=17...(41) * HE2 LYS 44 + HD3 LYS 44 OK 99 100 100 99 2.3-3.0 3.0=84, 3.7/3954=17...(41) HE3 LYS 44 + HD2 LYS 44 OK 98 100 100 99 2.3-3.0 3.0=84, 3.7/3954=17...(41) HE2 LYS 44 + HD2 LYS 44 OK 98 100 100 99 2.3-3.0 3.0=84, 3.7/3954=17...(41) HD3 ARG 30 - HD3 LYS 44 far 0 100 0 - 6.3-11.2 HE2 LYS 44 - HD3 LYS 39 far 0 87 0 - 6.7-13.4 HE2 LYS 44 - HD2 LYS 39 far 0 86 0 - 6.8-14.8 HD3 ARG 30 - HD2 LYS 44 far 0 99 0 - 6.8-11.8 HE3 LYS 44 - HD2 LYS 39 far 0 86 0 - 6.8-13.7 HE3 LYS 44 - HD3 LYS 39 far 0 87 0 - 7.0-13.5 HE2 LYS 65 - HD3 LYS 39 far 0 64 0 - 8.8-19.6 HE2 LYS 65 - HD2 LYS 39 far 0 63 0 - 9.4-19.8 HE3 LYS 65 - HD3 LYS 39 far 0 64 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3969 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 2.80 A): 4 out of 13 assignments used, quality = 1.00: * HE3 LYS 44 + HD3 LYS 44 OK 99 100 100 99 2.4-3.0 3.0=84, 3.7/3954=17...(41) HE2 LYS 44 + HD3 LYS 44 OK 99 100 100 99 2.3-3.0 3.0=84, 3.7/3954=17...(41) HE3 LYS 44 + HD2 LYS 44 OK 98 100 100 99 2.3-3.0 3.0=84, 3.7/3954=17...(41) HE2 LYS 44 + HD2 LYS 44 OK 98 100 100 99 2.3-3.0 3.0=84, 3.7/3954=17...(41) HD3 ARG 30 - HD3 LYS 44 far 0 100 0 - 6.3-11.2 HE2 LYS 44 - HD3 LYS 39 far 0 87 0 - 6.7-13.4 HE2 LYS 44 - HD2 LYS 39 far 0 86 0 - 6.8-14.8 HD3 ARG 30 - HD2 LYS 44 far 0 99 0 - 6.8-11.8 HE3 LYS 44 - HD2 LYS 39 far 0 86 0 - 6.8-13.7 HE3 LYS 44 - HD3 LYS 39 far 0 87 0 - 7.0-13.5 HE2 LYS 65 - HD3 LYS 39 far 0 64 0 - 8.8-19.6 HE2 LYS 65 - HD2 LYS 39 far 0 63 0 - 9.4-19.8 HE3 LYS 65 - HD3 LYS 39 far 0 64 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3971 from cnoeabs.peaks (4.06, 2.93, 41.78 ppm; 6.20 A): 7 out of 16 assignments used, quality = 1.00: HA LYS 44 + HE3 LYS 44 OK 100 100 100 100 3.6-5.8 3904/3.7=98, 3905/3.7=96...(44) * HA LYS 44 + HE2 LYS 44 OK 100 100 100 100 3.8-5.9 3904/3.7=98, 3905/3.7=96...(44) HA LYS 96 + HE3 LYS 96 OK 99 99 100 100 3.3-4.7 6075/3.8=96, 6.3=96...(66) HA LYS 96 + HE2 LYS 96 OK 99 99 100 100 3.3-5.2 6075/3.8=96, 6.3=96...(65) HA GLU 91 + HE3 LYS 94 OK 51 53 100 97 1.9-5.9 8194/4.8=57, 8196/4.8=54...(11) HA LYS 96 + HE3 LYS 65 OK 29 61 80 58 4.5-11.8 6080=11, 3.0/6099=9...(22) HA LYS 96 + HE2 LYS 65 OK 27 61 75 58 4.4-11.7 6080=10, 6080/1.8=9...(21) HA GLU 69 - HE3 LYS 65 far 6 59 10 - 6.3-11.2 HA GLU 37 - HE3 LYS 44 lone 3 100 50 7 5.1-9.3 8044/6154=3 HA GLU 37 - HE2 LYS 44 lone 3 100 50 6 5.7-10.1 8044/6154=3 HA GLU 69 - HE2 LYS 65 lone 0 59 35 2 5.7-11.1 HA LYS 96 - HE3 LYS 94 far 0 66 0 - 7.7-10.9 HA GLU 91 - HE2 LYS 96 far 0 87 0 - 8.0-10.9 HA GLU 91 - HE3 LYS 96 far 0 87 0 - 8.1-10.4 HA SER 35 - HE2 LYS 65 far 0 41 0 - 9.2-14.8 HA SER 35 - HE3 LYS 65 far 0 41 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 3972 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 6 out of 25 assignments used, quality = 1.00: HB3 LYS 44 + HE3 LYS 44 OK 98 99 100 100 1.9-4.7 5.0=32, 3952/3.0=17...(65) HB2 LYS 44 + HE3 LYS 44 OK 95 100 95 100 2.4-5.3 5.0=32, 3952/3.0=19...(66) HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.0-4.9 5.0=32, 3952/3.0=17...(65) * HB2 LYS 44 + HE2 LYS 44 OK 80 100 80 100 2.0-5.4 5.0=32, 3952/3.0=19...(66) HB2 LYS 96 + HE3 LYS 96 OK 73 92 80 100 4.3-5.5 4.9=34, 1.8/6100=21...(61) HB2 LYS 96 + HE2 LYS 96 OK 55 92 60 100 4.5-5.5 4.9=34, 1.8/6100=21...(61) HB2 ARG 95 - HE3 LYS 96 poor 13 81 40 41 4.2-7.8 6028/3.0=11, 6028/3.0=8...(9) HB2 LYS 96 - HE3 LYS 65 poor 10 52 75 24 2.2-9.7 1.8/6099=5, ~6100=2...(10) HB2 LYS 96 - HE2 LYS 65 poor 9 52 60 29 2.8-9.7 1.8/6099=3, ~6100=3...(11) HB2 ARG 95 - HE2 LYS 96 poor 8 81 25 41 3.9-7.0 6028/3.0=11, 6028/3.0=8...(9) HB2 LYS 49 - HE2 LYS 44 far 4 87 5 - 3.9-14.7 HB2 ARG 95 - HE3 LYS 94 far 0 48 0 - 5.3-9.0 HB2 LYS 43 - HE3 LYS 44 far 0 99 0 - 5.3-8.5 HB2 LYS 49 - HE3 LYS 44 far 0 87 0 - 5.5-15.4 HB2 LYS 43 - HE2 LYS 44 far 0 99 0 - 5.6-9.0 HB3 LYS 43 - HE3 LYS 44 far 0 92 0 - 6.3-9.3 HB3 LYS 43 - HE2 LYS 44 far 0 92 0 - 6.3-9.4 HB2 LEU 45 - HE3 LYS 44 far 0 97 0 - 7.1-10.1 HB2 LEU 45 - HE2 LYS 44 far 0 97 0 - 7.2-10.2 HB2 LYS 96 - HE3 LYS 94 far 0 57 0 - 7.3-10.8 HB2 ARG 95 - HE2 LYS 65 far 0 44 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 44 0 - 7.8-15.4 HB ILE 71 - HE2 LYS 65 far 0 41 0 - 8.4-14.7 HB ILE 71 - HE3 LYS 65 far 0 41 0 - 8.9-14.5 HB2 LEU 81 - HE3 LYS 94 far 0 61 0 - 9.3-14.5 Violated in 6 structures by 0.01 A. Peak 3973 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 6 out of 25 assignments used, quality = 1.00: HB3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 1.9-4.7 5.0=32, 3953/3.0=18...(65) * HB3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.0-4.9 5.0=32, 3953/3.0=18...(65) HB2 LYS 44 + HE3 LYS 44 OK 94 99 95 100 2.4-5.3 5.0=32, 3953/3.0=19...(66) HB2 LYS 96 + HE3 LYS 96 OK 79 99 80 100 4.3-5.5 4.9=34, 1.8/6100=21...(61) HB2 LYS 44 + HE2 LYS 44 OK 79 99 80 100 2.0-5.4 5.0=32, 3953/3.0=19...(66) HB2 LYS 96 + HE2 LYS 96 OK 59 99 60 100 4.5-5.5 4.9=34, 1.8/6100=21...(61) HB2 ARG 95 - HE3 LYS 96 poor 17 94 40 46 4.2-7.8 6028/3.0=14, 6028/3.0=10...(9) HB2 LYS 96 - HE3 LYS 65 poor 11 60 75 24 2.2-9.7 1.8/6099=5, 6090=2...(10) HB2 LYS 96 - HE2 LYS 65 poor 11 60 60 30 2.8-9.7 1.8/6099=3, ~6100=3...(11) HB2 ARG 95 - HE2 LYS 96 poor 11 94 25 46 3.9-7.0 6028/3.0=14, 6028/3.0=10...(9) HB2 LYS 49 - HE2 LYS 44 far 5 97 5 - 3.9-14.7 HB2 ARG 95 - HE3 LYS 94 far 0 59 0 - 5.3-9.0 HB2 LYS 43 - HE3 LYS 44 far 0 100 0 - 5.3-8.5 HB2 LYS 49 - HE3 LYS 44 far 0 97 0 - 5.5-15.4 HB2 LYS 43 - HE2 LYS 44 far 0 100 0 - 5.6-9.0 HB3 LYS 43 - HE3 LYS 44 far 0 99 0 - 6.3-9.3 HB3 LYS 43 - HE2 LYS 44 far 0 99 0 - 6.3-9.4 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.1-10.1 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.2-10.2 HB2 LYS 96 - HE3 LYS 94 far 0 65 0 - 7.3-10.8 HB2 ARG 95 - HE2 LYS 65 far 0 54 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 54 0 - 7.8-15.4 HB ILE 71 - HE2 LYS 65 far 0 52 0 - 8.4-14.7 HB ILE 71 - HE3 LYS 65 far 0 52 0 - 8.9-14.5 HB2 LEU 81 - HE3 LYS 94 far 0 50 0 - 9.3-14.5 Violated in 6 structures by 0.01 A. Peak 3974 from cnoeabs.peaks (1.58, 2.93, 41.78 ppm; 2.98 A): 4 out of 15 assignments used, quality = 1.00: HG2 LYS 44 + HE3 LYS 44 OK 99 100 100 99 2.2-4.2 3.7=50, 3954/3.0=28...(55) * HG2 LYS 44 + HE2 LYS 44 OK 99 100 100 99 2.4-4.2 3.7=50, 3954/3.0=28...(55) HG3 LYS 96 + HE2 LYS 96 OK 86 87 100 99 2.1-4.1 3.8=49, 6117/3.0=22...(61) HG3 LYS 96 + HE3 LYS 96 OK 86 87 100 99 2.2-3.6 3.8=49, 6117/3.0=22...(61) HG3 LYS 96 - HE3 LYS 65 poor 10 48 20 - 3.6-10.2 HG3 LYS 96 - HE2 LYS 65 far 0 48 0 - 4.7-9.9 HG LEU 82 - HE3 LYS 94 far 0 43 0 - 4.8-10.2 HG LEU 68 - HE2 LYS 65 far 0 59 0 - 5.3-10.3 HG LEU 68 - HE3 LYS 65 far 0 59 0 - 5.8-9.7 HG LEU 82 - HE3 LYS 65 far 0 39 0 - 7.8-14.1 HG3 LYS 96 - HE3 LYS 94 far 0 53 0 - 8.1-12.2 HG LEU 82 - HE2 LYS 65 far 0 39 0 - 8.4-14.5 HB3 LEU 70 - HE2 LYS 65 far 0 48 0 - 8.9-13.3 HB3 LEU 70 - HE3 LYS 65 far 0 48 0 - 9.3-14.5 HG12 ILE 116 - HE3 LYS 94 far 0 68 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 3975 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 4 out of 26 assignments used, quality = 1.00: HG2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=59, 6125/3.0=30...(72) HG2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=59, 6125/3.0=30...(72) * HG3 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.9 3.7=61, 3947/3.0=28...(55) HG3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=61, 3947/3.0=28...(55) HG2 LYS 96 - HE2 LYS 65 poor 19 62 30 - 3.5-9.2 HG2 LYS 96 - HE3 LYS 65 poor 7 62 50 21 2.5-9.2 2.9/6100=3, 6109=2...(9) HB3 LYS 61 - HE3 LYS 65 far 3 59 5 - 4.0-9.4 HB3 LYS 61 - HE2 LYS 65 far 0 59 0 - 5.1-9.7 HG LEU 80 - HE3 LYS 94 far 0 67 0 - 5.3-12.0 HG LEU 80 - HE3 LYS 65 far 0 62 0 - 5.8-12.6 HG3 ARG 30 - HE3 LYS 44 far 0 81 0 - 6.3-11.7 HG3 ARG 30 - HE2 LYS 44 far 0 81 0 - 6.6-12.7 HG2 LYS 39 - HE2 LYS 44 far 0 61 0 - 6.8-13.9 HG2 LYS 39 - HE3 LYS 44 far 0 61 0 - 7.3-12.8 HG LEU 80 - HE2 LYS 65 far 0 62 0 - 7.3-13.4 HB3 LYS 61 - HE2 LYS 96 far 0 98 0 - 7.4-12.1 HG LEU 4 - HE3 LYS 44 far 0 84 0 - 7.9-15.0 HB3 LEU 63 - HE3 LYS 65 far 0 48 0 - 8.2-11.4 HG12 ILE 56 - HE3 LYS 44 far 0 90 0 - 8.3-12.8 HB3 LEU 63 - HE2 LYS 65 far 0 48 0 - 8.6-11.3 HB3 LYS 61 - HE3 LYS 96 far 0 98 0 - 8.7-12.3 HG12 ILE 56 - HE2 LYS 44 far 0 90 0 - 8.8-13.7 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.1-12.2 HG LEU 4 - HE2 LYS 44 far 0 84 0 - 9.3-15.4 HB3 GLN 83 - HE3 LYS 94 far 0 37 0 - 9.5-14.3 HB3 LEU 4 - HE3 LYS 44 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 3976 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 6 out of 28 assignments used, quality = 1.00: HD2 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) * HD2 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.4-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 96 + HE2 LYS 96 OK 65 65 100 99 2.3-3.0 3.0=79, 1.8/6130=17...(58) HD3 LYS 96 + HE3 LYS 96 OK 65 65 100 99 2.5-3.0 3.0=79, 1.8/6129=17...(58) HD2 LYS 40 - HE2 LYS 44 far 9 61 15 - 3.9-9.0 HB3 LYS 106 - HE3 LYS 94 far 7 48 15 - 3.0-8.1 HD2 LYS 40 - HE3 LYS 44 far 3 61 5 - 3.9-8.2 HB2 LYS 106 - HE3 LYS 94 far 2 43 5 - 3.8-8.0 HD3 LYS 96 - HE3 LYS 65 far 0 34 0 - 4.6-11.4 HD3 LYS 96 - HE2 LYS 65 far 0 34 0 - 5.5-11.2 HG3 LYS 39 - HE3 LYS 44 far 0 100 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 100 0 - 6.6-13.5 HD3 LYS 39 - HE2 LYS 44 far 0 99 0 - 6.7-13.4 HB ILE 54 - HE3 LYS 44 far 0 61 0 - 6.7-13.2 HD2 LYS 39 - HE2 LYS 44 far 0 99 0 - 6.8-14.8 HD2 LYS 39 - HE3 LYS 44 far 0 99 0 - 6.8-13.7 HD3 LYS 39 - HE3 LYS 44 far 0 99 0 - 7.0-13.5 HB ILE 54 - HE2 LYS 44 far 0 61 0 - 8.1-13.5 HG12 ILE 71 - HE2 LYS 65 far 0 58 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 37 0 - 8.5-10.9 HD3 LYS 39 - HE2 LYS 65 far 0 61 0 - 8.8-19.6 HD3 LYS 43 - HE3 LYS 44 far 0 70 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 70 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 58 0 - 9.3-12.9 HD2 LYS 39 - HE2 LYS 65 far 0 60 0 - 9.4-19.8 HD3 LYS 39 - HE3 LYS 65 far 0 61 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 4 out of 19 assignments used, quality = 1.00: HD3 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.4-3.0 3.0=81, 3954/3.7=17...(38) * HD3 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD2 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD2 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HB3 LYS 106 - HE3 LYS 94 far 8 53 15 - 3.0-8.1 HB2 LYS 106 - HE3 LYS 94 far 2 48 5 - 3.8-8.0 HG3 LYS 39 - HE3 LYS 44 far 0 99 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 99 0 - 6.6-13.5 HD3 LYS 39 - HE2 LYS 44 far 0 100 0 - 6.7-13.4 HD2 LYS 39 - HE2 LYS 44 far 0 100 0 - 6.8-14.8 HD2 LYS 39 - HE3 LYS 44 far 0 100 0 - 6.8-13.7 HD3 LYS 39 - HE3 LYS 44 far 0 100 0 - 7.0-13.5 HG12 ILE 71 - HE2 LYS 65 far 0 54 0 - 8.4-12.6 HD3 LYS 39 - HE2 LYS 65 far 0 62 0 - 8.8-19.6 HD3 LYS 43 - HE3 LYS 44 far 0 61 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 61 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 54 0 - 9.3-12.9 HD2 LYS 39 - HE2 LYS 65 far 0 62 0 - 9.4-19.8 HD3 LYS 39 - HE3 LYS 65 far 0 62 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3978 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 7 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): 7 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): 5 out of 16 assignments used, quality = 1.00: HA LYS 96 + HE2 LYS 96 OK 99 99 100 100 3.3-5.2 6075/3.8=58, 6076/3.8=51...(65) HA LYS 96 + HE3 LYS 96 OK 99 99 100 100 3.3-4.7 6075/3.8=58, 6076/3.8=51...(65) * HA LYS 44 + HE3 LYS 44 OK 95 100 95 100 3.6-5.8 3904/3.7=59, 3905/3.7=56...(39) HA LYS 44 + HE2 LYS 44 OK 90 100 90 100 3.8-5.9 3904/3.7=59, 3905/3.7=56...(39) HA GLU 91 + HE3 LYS 94 OK 35 53 90 75 1.9-5.9 8194/4.8=27, 8195/4.8=26...(9) HA LYS 96 - HE3 LYS 65 poor 8 61 40 34 4.5-11.8 3.0/6100=6, 6079=4...(15) HA LYS 96 - HE2 LYS 65 far 6 61 10 - 4.4-11.7 HA GLU 37 - HE3 LYS 44 far 5 100 5 - 5.1-9.3 HA GLU 37 - HE2 LYS 44 far 0 100 0 - 5.7-10.1 HA GLU 69 - HE2 LYS 65 far 0 59 0 - 5.7-11.1 HA GLU 69 - HE3 LYS 65 far 0 59 0 - 6.3-11.2 HA LYS 96 - HE3 LYS 94 far 0 66 0 - 7.7-10.9 HA GLU 91 - HE2 LYS 96 far 0 87 0 - 8.0-10.9 HA GLU 91 - HE3 LYS 96 far 0 87 0 - 8.1-10.4 HA SER 35 - HE2 LYS 65 far 0 41 0 - 9.2-14.8 HA SER 35 - HE3 LYS 65 far 0 41 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 3982 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 6 out of 25 assignments used, quality = 1.00: HB3 LYS 44 + HE3 LYS 44 OK 98 99 100 100 1.9-4.7 5.0=32, 3952/3.0=17...(65) * HB2 LYS 44 + HE3 LYS 44 OK 95 100 95 100 2.4-5.3 5.0=32, 3952/3.0=19...(66) HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.0-4.9 5.0=32, 3952/3.0=17...(65) HB2 LYS 44 + HE2 LYS 44 OK 80 100 80 100 2.0-5.4 5.0=32, 3952/3.0=19...(66) HB2 LYS 96 + HE3 LYS 96 OK 73 92 80 100 4.3-5.5 4.9=34, 1.8/6100=21...(61) HB2 LYS 96 + HE2 LYS 96 OK 55 92 60 100 4.5-5.5 4.9=34, 1.8/6100=21...(61) HB2 ARG 95 - HE3 LYS 96 poor 13 81 40 41 4.2-7.8 6028/3.0=11, 6028/3.0=8...(9) HB2 LYS 96 - HE3 LYS 65 poor 10 52 75 24 2.2-9.7 1.8/6099=5, ~6100=2...(10) HB2 LYS 96 - HE2 LYS 65 poor 9 52 60 29 2.8-9.7 1.8/6099=3, ~6100=3...(11) HB2 ARG 95 - HE2 LYS 96 poor 8 81 25 41 3.9-7.0 6028/3.0=11, 6028/3.0=8...(9) HB2 LYS 49 - HE2 LYS 44 far 4 87 5 - 3.9-14.7 HB2 ARG 95 - HE3 LYS 94 far 0 48 0 - 5.3-9.0 HB2 LYS 43 - HE3 LYS 44 far 0 99 0 - 5.3-8.5 HB2 LYS 49 - HE3 LYS 44 far 0 87 0 - 5.5-15.4 HB2 LYS 43 - HE2 LYS 44 far 0 99 0 - 5.6-9.0 HB3 LYS 43 - HE3 LYS 44 far 0 92 0 - 6.3-9.3 HB3 LYS 43 - HE2 LYS 44 far 0 92 0 - 6.3-9.4 HB2 LEU 45 - HE3 LYS 44 far 0 97 0 - 7.1-10.1 HB2 LEU 45 - HE2 LYS 44 far 0 97 0 - 7.2-10.2 HB2 LYS 96 - HE3 LYS 94 far 0 57 0 - 7.3-10.8 HB2 ARG 95 - HE2 LYS 65 far 0 44 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 44 0 - 7.8-15.4 HB ILE 71 - HE2 LYS 65 far 0 41 0 - 8.4-14.7 HB ILE 71 - HE3 LYS 65 far 0 41 0 - 8.9-14.5 HB2 LEU 81 - HE3 LYS 94 far 0 61 0 - 9.3-14.5 Violated in 6 structures by 0.01 A. Peak 3983 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 6 out of 25 assignments used, quality = 1.00: * HB3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 1.9-4.7 5.0=32, 3953/3.0=18...(65) HB3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.0-4.9 5.0=32, 3953/3.0=18...(65) HB2 LYS 44 + HE3 LYS 44 OK 94 99 95 100 2.4-5.3 5.0=32, 3953/3.0=19...(66) HB2 LYS 96 + HE3 LYS 96 OK 79 99 80 100 4.3-5.5 4.9=34, 1.8/6100=21...(61) HB2 LYS 44 + HE2 LYS 44 OK 79 99 80 100 2.0-5.4 5.0=32, 3953/3.0=19...(66) HB2 LYS 96 + HE2 LYS 96 OK 59 99 60 100 4.5-5.5 4.9=34, 1.8/6100=21...(61) HB2 ARG 95 - HE3 LYS 96 poor 17 94 40 46 4.2-7.8 6028/3.0=14, 6028/3.0=10...(9) HB2 LYS 96 - HE3 LYS 65 poor 11 60 75 24 2.2-9.7 1.8/6099=5, 6090=2...(10) HB2 LYS 96 - HE2 LYS 65 poor 11 60 60 30 2.8-9.7 1.8/6099=3, ~6100=3...(11) HB2 ARG 95 - HE2 LYS 96 poor 11 94 25 46 3.9-7.0 6028/3.0=14, 6028/3.0=10...(9) HB2 LYS 49 - HE2 LYS 44 far 5 97 5 - 3.9-14.7 HB2 ARG 95 - HE3 LYS 94 far 0 59 0 - 5.3-9.0 HB2 LYS 43 - HE3 LYS 44 far 0 100 0 - 5.3-8.5 HB2 LYS 49 - HE3 LYS 44 far 0 97 0 - 5.5-15.4 HB2 LYS 43 - HE2 LYS 44 far 0 100 0 - 5.6-9.0 HB3 LYS 43 - HE3 LYS 44 far 0 99 0 - 6.3-9.3 HB3 LYS 43 - HE2 LYS 44 far 0 99 0 - 6.3-9.4 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.1-10.1 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.2-10.2 HB2 LYS 96 - HE3 LYS 94 far 0 65 0 - 7.3-10.8 HB2 ARG 95 - HE2 LYS 65 far 0 54 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 54 0 - 7.8-15.4 HB ILE 71 - HE2 LYS 65 far 0 52 0 - 8.4-14.7 HB ILE 71 - HE3 LYS 65 far 0 52 0 - 8.9-14.5 HB2 LEU 81 - HE3 LYS 94 far 0 50 0 - 9.3-14.5 Violated in 6 structures by 0.01 A. Peak 3984 from cnoeabs.peaks (1.58, 2.93, 41.78 ppm; 2.98 A): 4 out of 15 assignments used, quality = 1.00: * HG2 LYS 44 + HE3 LYS 44 OK 99 100 100 99 2.2-4.2 3.7=50, 3954/3.0=28...(55) HG2 LYS 44 + HE2 LYS 44 OK 99 100 100 99 2.4-4.2 3.7=50, 3954/3.0=28...(55) HG3 LYS 96 + HE2 LYS 96 OK 86 87 100 99 2.1-4.1 3.8=49, 6117/3.0=22...(61) HG3 LYS 96 + HE3 LYS 96 OK 86 87 100 99 2.2-3.6 3.8=49, 6117/3.0=22...(61) HG3 LYS 96 - HE3 LYS 65 poor 10 48 20 - 3.6-10.2 HG3 LYS 96 - HE2 LYS 65 far 0 48 0 - 4.7-9.9 HG LEU 82 - HE3 LYS 94 far 0 43 0 - 4.8-10.2 HG LEU 68 - HE2 LYS 65 far 0 59 0 - 5.3-10.3 HG LEU 68 - HE3 LYS 65 far 0 59 0 - 5.8-9.7 HG LEU 82 - HE3 LYS 65 far 0 39 0 - 7.8-14.1 HG3 LYS 96 - HE3 LYS 94 far 0 53 0 - 8.1-12.2 HG LEU 82 - HE2 LYS 65 far 0 39 0 - 8.4-14.5 HB3 LEU 70 - HE2 LYS 65 far 0 48 0 - 8.9-13.3 HB3 LEU 70 - HE3 LYS 65 far 0 48 0 - 9.3-14.5 HG12 ILE 116 - HE3 LYS 94 far 0 68 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 3985 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 4 out of 26 assignments used, quality = 1.00: HG2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=59, 6125/3.0=30...(72) HG2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=59, 6125/3.0=30...(72) HG3 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.9 3.7=61, 3947/3.0=28...(55) * HG3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=61, 3947/3.0=28...(55) HG2 LYS 96 - HE2 LYS 65 poor 19 62 30 - 3.5-9.2 HG2 LYS 96 - HE3 LYS 65 poor 7 62 50 21 2.5-9.2 2.9/6100=3, 6109=2...(9) HB3 LYS 61 - HE3 LYS 65 far 3 59 5 - 4.0-9.4 HB3 LYS 61 - HE2 LYS 65 far 0 59 0 - 5.1-9.7 HG LEU 80 - HE3 LYS 94 far 0 67 0 - 5.3-12.0 HG LEU 80 - HE3 LYS 65 far 0 62 0 - 5.8-12.6 HG3 ARG 30 - HE3 LYS 44 far 0 81 0 - 6.3-11.7 HG3 ARG 30 - HE2 LYS 44 far 0 81 0 - 6.6-12.7 HG2 LYS 39 - HE2 LYS 44 far 0 61 0 - 6.8-13.9 HG2 LYS 39 - HE3 LYS 44 far 0 61 0 - 7.3-12.8 HG LEU 80 - HE2 LYS 65 far 0 62 0 - 7.3-13.4 HB3 LYS 61 - HE2 LYS 96 far 0 98 0 - 7.4-12.1 HG LEU 4 - HE3 LYS 44 far 0 84 0 - 7.9-15.0 HB3 LEU 63 - HE3 LYS 65 far 0 48 0 - 8.2-11.4 HG12 ILE 56 - HE3 LYS 44 far 0 90 0 - 8.3-12.8 HB3 LEU 63 - HE2 LYS 65 far 0 48 0 - 8.6-11.3 HB3 LYS 61 - HE3 LYS 96 far 0 98 0 - 8.7-12.3 HG12 ILE 56 - HE2 LYS 44 far 0 90 0 - 8.8-13.7 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.1-12.2 HG LEU 4 - HE2 LYS 44 far 0 84 0 - 9.3-15.4 HB3 GLN 83 - HE3 LYS 94 far 0 37 0 - 9.5-14.3 HB3 LEU 4 - HE3 LYS 44 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 6 out of 28 assignments used, quality = 1.00: * HD2 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD2 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.4-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 96 + HE2 LYS 96 OK 65 65 100 99 2.3-3.0 3.0=79, 1.8/6130=17...(58) HD3 LYS 96 + HE3 LYS 96 OK 65 65 100 99 2.5-3.0 3.0=79, 1.8/6129=17...(58) HD2 LYS 40 - HE2 LYS 44 far 9 61 15 - 3.9-9.0 HB3 LYS 106 - HE3 LYS 94 far 7 48 15 - 3.0-8.1 HD2 LYS 40 - HE3 LYS 44 far 3 61 5 - 3.9-8.2 HB2 LYS 106 - HE3 LYS 94 far 2 43 5 - 3.8-8.0 HD3 LYS 96 - HE3 LYS 65 far 0 34 0 - 4.6-11.4 HD3 LYS 96 - HE2 LYS 65 far 0 34 0 - 5.5-11.2 HG3 LYS 39 - HE3 LYS 44 far 0 100 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 100 0 - 6.6-13.5 HD3 LYS 39 - HE2 LYS 44 far 0 99 0 - 6.7-13.4 HB ILE 54 - HE3 LYS 44 far 0 61 0 - 6.7-13.2 HD2 LYS 39 - HE2 LYS 44 far 0 99 0 - 6.8-14.8 HD2 LYS 39 - HE3 LYS 44 far 0 99 0 - 6.8-13.7 HD3 LYS 39 - HE3 LYS 44 far 0 99 0 - 7.0-13.5 HB ILE 54 - HE2 LYS 44 far 0 61 0 - 8.1-13.5 HG12 ILE 71 - HE2 LYS 65 far 0 58 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 37 0 - 8.5-10.9 HD3 LYS 39 - HE2 LYS 65 far 0 61 0 - 8.8-19.6 HD3 LYS 43 - HE3 LYS 44 far 0 70 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 70 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 58 0 - 9.3-12.9 HD2 LYS 39 - HE2 LYS 65 far 0 60 0 - 9.4-19.8 HD3 LYS 39 - HE3 LYS 65 far 0 61 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3987 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 4 out of 19 assignments used, quality = 1.00: * HD3 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.4-3.0 3.0=81, 3954/3.7=17...(38) HD3 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD2 LYS 44 + HE3 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HD2 LYS 44 + HE2 LYS 44 OK 98 100 100 98 2.3-3.0 3.0=81, 3954/3.7=17...(38) HB3 LYS 106 - HE3 LYS 94 far 8 53 15 - 3.0-8.1 HB2 LYS 106 - HE3 LYS 94 far 2 48 5 - 3.8-8.0 HG3 LYS 39 - HE3 LYS 44 far 0 99 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 99 0 - 6.6-13.5 HD3 LYS 39 - HE2 LYS 44 far 0 100 0 - 6.7-13.4 HD2 LYS 39 - HE2 LYS 44 far 0 100 0 - 6.8-14.8 HD2 LYS 39 - HE3 LYS 44 far 0 100 0 - 6.8-13.7 HD3 LYS 39 - HE3 LYS 44 far 0 100 0 - 7.0-13.5 HG12 ILE 71 - HE2 LYS 65 far 0 54 0 - 8.4-12.6 HD3 LYS 39 - HE2 LYS 65 far 0 62 0 - 8.8-19.6 HD3 LYS 43 - HE3 LYS 44 far 0 61 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 61 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 54 0 - 9.3-12.9 HD2 LYS 39 - HE2 LYS 65 far 0 62 0 - 9.4-19.8 HD3 LYS 39 - HE3 LYS 65 far 0 62 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 3988 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 7 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): 7 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 45 + HA LEU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 44 + HA LEU 45 OK 60 100 75 81 3.7-5.5 7512/3.0=21, ~266=16...(14) HB2 LYS 44 + HA LEU 45 OK 56 97 70 82 4.0-5.5 7512/3.0=21, ~266=16...(15) HB2 LYS 49 - HA LEU 45 far 0 99 0 - 5.1-8.9 HB2 LYS 43 - HA LEU 45 far 0 100 0 - 7.5-7.9 HB3 LYS 43 - HA LEU 45 far 0 100 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 3993 from cnoeabs.peaks (1.49, 4.15, 57.19 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 45 + HA LEU 45 OK 100 100 100 100 2.3-2.3 3.0=100 HG2 ARG 30 - HA LEU 45 far 0 90 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 3994 from cnoeabs.peaks (1.88, 4.15, 57.19 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 45 + HA LEU 45 OK 100 100 100 100 2.9-3.6 2.1/3996=72, 2.1/3995=69...(18) HB2 LYS 49 - HA LEU 45 far 0 70 0 - 5.1-8.9 QE MET 42 - HA LEU 45 far 0 73 0 - 6.2-8.3 HB3 LYS 43 - HA LEU 45 far 0 61 0 - 7.5-7.8 Violated in 18 structures by 0.15 A. Peak 3995 from cnoeabs.peaks (0.75, 4.15, 57.19 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 45 + HA LEU 45 OK 100 100 100 100 3.7-4.0 2.1/3996=68, 2.1/3994=61...(20) QG2 ILE 54 - HA LEU 45 far 0 96 0 - 6.2-7.9 QG2 VAL 32 - HA LEU 45 far 0 94 0 - 9.9-11.1 Violated in 20 structures by 0.56 A. Peak 3996 from cnoeabs.peaks (0.72, 4.15, 57.19 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 45 + HA LEU 45 OK 100 100 100 100 2.0-3.3 4026=87, 2.1/3995=59...(21) QG2 VAL 78 - HA LEU 45 far 0 100 0 - 8.9-10.4 Violated in 1 structures by 0.01 A. Peak 3997 from cnoeabs.peaks (8.16, 1.90, 41.77 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + HB2 LEU 45 OK 100 100 100 100 2.8-3.0 4.0=91, 1295/1.8=83...(15) Violated in 0 structures by 0.00 A. Peak 3998 from cnoeabs.peaks (4.15, 1.90, 41.77 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 45 + HB2 LEU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 70 - HB2 LEU 45 far 0 84 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 LEU 45 + HB2 LEU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 - HB2 LEU 45 far 0 96 0 - 8.2-11.7 HG2 ARG 30 - HB2 LEU 45 far 0 90 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 4001 from cnoeabs.peaks (1.88, 1.90, 41.77 ppm; 2.96 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 45 + HB2 LEU 45 OK 100 100 100 100 2.3-2.9 3.0=98, 2.1/4020=61...(15) QE MET 42 - HB2 LEU 45 far 4 73 5 - 4.3-7.2 HB3 LYS 43 - HB2 LEU 45 far 0 61 0 - 6.7-7.2 HB2 LYS 49 - HB2 LEU 45 far 0 70 0 - 7.9-10.8 HB ILE 71 - HB2 LEU 45 far 0 81 0 - 8.0-10.5 HB2 LYS 73 - HB2 LEU 45 far 0 84 0 - 8.2-12.4 QE MET 67 - HB2 LEU 45 far 0 100 0 - 9.3-10.5 HB3 LYS 73 - HB2 LEU 45 far 0 87 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 4002 from cnoeabs.peaks (0.75, 1.90, 41.77 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 45 + HB2 LEU 45 OK 100 100 100 100 1.9-2.6 3.1=100 QG2 ILE 54 - HB2 LEU 45 far 0 96 0 - 6.1-8.5 QD2 LEU 6 - HB2 LEU 45 far 0 61 0 - 9.1-10.8 QG2 VAL 32 - HB2 LEU 45 far 0 94 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 4003 from cnoeabs.peaks (0.72, 1.90, 41.77 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 45 + HB2 LEU 45 OK 100 100 100 100 2.8-3.2 3.1=100 QG2 VAL 78 - HB2 LEU 45 far 0 100 0 - 7.1-8.6 QD2 LEU 6 - HB2 LEU 45 far 0 92 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 4004 from cnoeabs.peaks (8.16, 1.49, 41.77 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + HB3 LEU 45 OK 100 100 100 100 3.5-3.6 1295=100, 1296/3.0=80...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 4006 from cnoeabs.peaks (1.90, 1.49, 41.77 ppm; 2.95 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 45 + HB3 LEU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 44 - HB3 LEU 45 far 0 100 0 - 5.3-7.0 HB2 LYS 44 - HB3 LEU 45 far 0 97 0 - 5.6-7.0 HB2 LYS 49 - HB3 LEU 45 far 0 99 0 - 7.3-10.1 HB2 LYS 43 - HB3 LEU 45 far 0 100 0 - 8.2-8.8 HB3 LYS 43 - HB3 LEU 45 far 0 100 0 - 8.2-8.6 HB ILE 71 - HB3 LEU 45 far 0 96 0 - 8.7-11.4 HB2 LYS 73 - HB3 LEU 45 far 0 94 0 - 9.5-13.8 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG LEU 45 + HB3 LEU 45 OK 100 100 100 100 2.8-3.0 3.0=100 QE MET 42 - HB3 LEU 45 far 0 73 0 - 4.9-7.8 HB2 LYS 49 - HB3 LEU 45 far 0 70 0 - 7.3-10.1 HB3 LYS 43 - HB3 LEU 45 far 0 61 0 - 8.2-8.6 HB ILE 71 - HB3 LEU 45 far 0 81 0 - 8.7-11.4 HB2 LYS 73 - HB3 LEU 45 far 0 84 0 - 9.5-13.8 QE MET 67 - HB3 LEU 45 far 0 100 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 4009 from cnoeabs.peaks (0.75, 1.49, 41.77 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 45 + HB3 LEU 45 OK 100 100 100 100 2.1-3.0 3.1=100 QG2 ILE 54 - HB3 LEU 45 far 0 96 0 - 5.2-7.8 QD2 LEU 6 - HB3 LEU 45 far 0 61 0 - 9.4-11.3 QG2 VAL 32 - HB3 LEU 45 far 0 94 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4010 from cnoeabs.peaks (0.72, 1.49, 41.77 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 45 + HB3 LEU 45 OK 100 100 100 100 2.1-2.6 3.1=100 QG2 VAL 78 - HB3 LEU 45 far 0 100 0 - 7.2-8.9 QD2 LEU 6 - HB3 LEU 45 far 0 92 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 4011 from cnoeabs.peaks (8.16, 1.88, 26.77 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + HG LEU 45 OK 100 100 100 100 1.7-2.1 1296=100, 1298/2.1=75...(13) Violated in 0 structures by 0.00 A. Peak 4012 from cnoeabs.peaks (4.15, 1.88, 26.77 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 45 + HG LEU 45 OK 100 100 100 100 2.9-3.6 3994=100, 3996/2.1=90...(19) HA LEU 70 - HG LEU 45 far 0 84 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 4013 from cnoeabs.peaks (1.90, 1.88, 26.77 ppm; 2.44 A): 1 out of 8 assignments used, quality = 0.96: * HB2 LEU 45 + HG LEU 45 OK 96 100 100 96 2.3-2.9 4001=56, 4020/2.1=41...(14) HB2 LYS 44 - HG LEU 45 poor 20 97 65 32 3.5-5.6 4.7/1296=14, 4027/2.1=10...(5) HB3 LYS 44 - HG LEU 45 far 10 100 10 - 3.2-5.6 HB2 LYS 43 - HG LEU 45 far 0 100 0 - 5.9-7.3 HB3 LYS 43 - HG LEU 45 far 0 100 0 - 6.4-7.6 HB ILE 71 - HG LEU 45 far 0 96 0 - 7.7-10.3 HB2 LYS 49 - HG LEU 45 far 0 99 0 - 7.8-12.4 HB2 LYS 73 - HG LEU 45 far 0 94 0 - 9.1-13.0 Violated in 2 structures by 0.03 A. Peak 4014 from cnoeabs.peaks (1.49, 1.88, 26.77 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 45 + HG LEU 45 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 ARG 30 - HG LEU 45 far 0 90 0 - 7.2-10.1 HG3 LYS 73 - HG LEU 45 far 0 96 0 - 8.9-12.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QD1 LEU 45 + HG LEU 45 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 54 - HG LEU 45 far 10 96 10 - 4.8-7.0 QG2 VAL 32 - HG LEU 45 far 0 94 0 - 7.7-9.1 QD2 LEU 6 - HG LEU 45 far 0 61 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 4017 from cnoeabs.peaks (0.72, 1.88, 26.77 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 45 + HG LEU 45 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 78 - HG LEU 45 far 0 100 0 - 6.7-8.5 QD2 LEU 6 - HG LEU 45 far 0 92 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.7 4.7=100 Violated in 0 structures by 0.00 A. Peak 4019 from cnoeabs.peaks (4.15, 0.75, 25.49 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 45 + QD1 LEU 45 OK 100 100 100 100 3.7-4.0 4.0=100 HA LEU 63 + QD1 LEU 63 OK 24 24 100 100 3.7-3.9 4.0=100 HA LEU 70 - QD1 LEU 45 far 0 84 0 - 6.6-8.6 Violated in 0 structures by 0.00 A. Peak 4020 from cnoeabs.peaks (1.90, 0.75, 25.49 ppm; 2.94 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 45 + QD1 LEU 45 OK 100 100 100 100 1.9-2.6 3.1=82, 1.8/4021=67...(18) HB3 LYS 44 - QD1 LEU 45 far 5 100 5 - 3.4-6.5 HB2 LYS 44 - QD1 LEU 45 far 0 97 0 - 4.5-6.5 HB ILE 71 - QD1 LEU 45 far 0 96 0 - 5.3-7.8 HB2 LYS 43 - QD1 LEU 45 far 0 100 0 - 5.5-7.8 HB3 LYS 43 - QD1 LEU 45 far 0 100 0 - 5.7-8.0 HB2 LYS 73 - QD1 LEU 45 far 0 94 0 - 6.9-11.0 HB2 LYS 49 - QD1 LEU 45 far 0 99 0 - 7.8-10.7 HB3 LYS 73 - QD1 LEU 45 far 0 92 0 - 8.2-10.5 HB ILE 7 - QD1 LEU 63 far 0 27 0 - 8.9-10.1 HB ILE 15 - QD1 LEU 63 far 0 28 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4021 from cnoeabs.peaks (1.49, 0.75, 25.49 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 45 + QD1 LEU 45 OK 100 100 100 100 2.1-3.0 3.1=82, 1.8/4020=67...(16) HG2 ARG 30 - QD1 LEU 45 far 0 90 0 - 5.7-8.5 HG3 LYS 73 - QD1 LEU 45 far 0 96 0 - 6.5-10.5 HD2 LYS 53 - QD1 LEU 45 far 0 98 0 - 7.4-12.3 QB ALA 124 - QD1 LEU 45 far 0 65 0 - 7.9-10.1 HG2 ARG 30 - QD1 LEU 63 far 0 28 0 - 9.0-11.3 Violated in 1 structures by 0.00 A. Peak 4022 from cnoeabs.peaks (1.88, 0.75, 25.49 ppm; 2.91 A): 4 out of 12 assignments used, quality = 1.00: * HG LEU 45 + QD1 LEU 45 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 42 + QD1 LEU 45 OK 40 73 90 61 1.9-4.7 9431=36, 3804/9435=14...(6) QE MET 67 + QD1 LEU 63 OK 28 35 95 84 3.0-4.7 9725=37, 9721/3.1=36...(13) HB2 LEU 63 + QD1 LEU 63 OK 27 28 100 95 2.1-2.5 3.1=80, 3.0/4715=29...(11) HB ILE 71 - QD1 LEU 45 far 0 81 0 - 5.3-7.8 HB3 LYS 43 - QD1 LEU 45 far 0 61 0 - 5.7-8.0 QE MET 67 - QD1 LEU 45 far 0 100 0 - 6.3-7.8 QE MET 42 - QD1 LEU 63 far 0 21 0 - 6.4-8.7 HB2 LYS 73 - QD1 LEU 45 far 0 84 0 - 6.9-11.0 HB2 LYS 49 - QD1 LEU 45 far 0 70 0 - 7.8-10.7 HB3 LYS 73 - QD1 LEU 45 far 0 87 0 - 8.2-10.5 HB ILE 7 - QD1 LEU 63 far 0 29 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 4023 from cnoeabs.peaks (0.75, 0.75, 25.49 ppm; diagonal): 2 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): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 45 + QD1 LEU 45 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 63 + QD1 LEU 63 OK 21 21 100 100 1.9-2.1 2.1=100 QG2 VAL 78 - QD1 LEU 45 far 0 100 0 - 4.4-5.8 QD1 LEU 6 - QD1 LEU 63 far 0 29 0 - 5.6-6.7 QD2 LEU 6 - QD1 LEU 45 far 0 92 0 - 5.8-7.4 QD2 LEU 6 - QD1 LEU 63 far 0 29 0 - 5.9-7.1 QD1 LEU 6 - QD1 LEU 45 far 0 92 0 - 7.6-9.4 QD2 LEU 55 - QD1 LEU 45 far 0 90 0 - 7.8-10.4 QD2 LEU 55 - QD1 LEU 63 far 0 28 0 - 8.5-10.7 QD2 LEU 63 - QD1 LEU 45 far 0 73 0 - 8.8-10.5 QD1 ILE 57 - QD1 LEU 45 far 0 65 0 - 8.9-10.9 QG2 ILE 18 - QD1 LEU 63 far 0 32 0 - 9.9-11.6 QD1 LEU 63 - QD1 LEU 45 far 0 73 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 4025 from cnoeabs.peaks (8.16, 0.72, 23.70 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + QD2 LEU 45 OK 100 100 100 100 1.9-3.5 1298=100, 1296/2.1=98...(15) Violated in 0 structures by 0.00 A. Peak 4026 from cnoeabs.peaks (4.15, 0.72, 23.70 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 45 + QD2 LEU 45 OK 100 100 100 100 2.0-3.3 3996=100, 3995/2.1=65...(21) HA LEU 70 - QD2 LEU 45 far 0 84 0 - 8.8-10.2 Violated in 1 structures by 0.00 A. Peak 4027 from cnoeabs.peaks (1.90, 0.72, 23.70 ppm; 3.09 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 45 + QD2 LEU 45 OK 100 100 100 100 2.8-3.2 3.1=96, 4020/2.1=67...(16) HB2 LYS 44 + QD2 LEU 45 OK 49 97 95 53 2.3-5.0 4.7/1298=24, 4013/2.1=14...(6) HB3 LYS 44 + QD2 LEU 45 OK 46 100 95 48 2.5-4.6 4.7/1298=24...(5) HB2 LYS 49 - QD2 LEU 45 far 0 99 0 - 5.7-9.6 HB2 LYS 43 - QD2 LEU 45 far 0 100 0 - 6.2-7.9 HB3 LYS 43 - QD2 LEU 45 far 0 100 0 - 6.6-8.0 HB ILE 71 - QD2 LEU 45 far 0 96 0 - 7.0-10.0 HB2 LYS 73 - QD2 LEU 45 far 0 94 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 4028 from cnoeabs.peaks (1.49, 0.72, 23.70 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 45 + QD2 LEU 45 OK 100 100 100 100 2.1-2.6 3.1=100 HG2 ARG 30 - QD2 LEU 45 far 0 90 0 - 5.0-7.2 HD2 LYS 53 - QD2 LEU 45 far 0 98 0 - 8.3-11.7 HG3 LYS 73 - QD2 LEU 45 far 0 96 0 - 8.3-12.4 QB ALA 124 - QD2 LEU 45 far 0 65 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4029 from cnoeabs.peaks (1.88, 0.72, 23.70 ppm; 3.14 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 45 + QD2 LEU 45 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 42 + QD2 LEU 45 OK 26 73 85 41 3.5-5.2 9431/2.1=30, 5.4/9436=11 HB2 LYS 49 - QD2 LEU 45 far 0 70 0 - 5.7-9.6 HB3 LYS 43 - QD2 LEU 45 far 0 61 0 - 6.6-8.0 QE MET 67 - QD2 LEU 45 far 0 100 0 - 6.8-8.0 HB ILE 71 - QD2 LEU 45 far 0 81 0 - 7.0-10.0 HB2 LYS 73 - QD2 LEU 45 far 0 84 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (0.75, 0.72, 23.70 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 45 + QD2 LEU 45 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 54 - QD2 LEU 45 lone 10 96 70 15 2.8-4.6 2.1/11533=8, ~4379=4, ~4400=2 QG2 VAL 32 - QD2 LEU 45 far 0 94 0 - 6.5-8.2 QD2 LEU 6 - QD2 LEU 45 far 0 61 0 - 6.9-8.3 QD2 LEU 55 - QD2 LEU 45 far 0 65 0 - 8.3-9.7 QD1 ILE 7 - QD2 LEU 45 far 0 84 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ALA 46 + HA ALA 46 OK 100 100 100 100 2.7-2.8 3.0=100 HD21 ASN 50 - HA ALA 46 far 5 99 5 - 4.9-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 4035 from cnoeabs.peaks (7.64, 1.55, 18.88 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 100 100 2.0-2.2 2.9=100 HD21 ASN 50 - QB ALA 46 far 0 99 0 - 6.0-12.5 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (4.25, 1.55, 18.88 ppm; 2.79 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 46 + QB ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 47 + QB ALA 46 OK 74 100 100 74 3.8-3.9 3.0/280=37...(8) HA GLU 41 - QB ALA 46 far 0 90 0 - 7.8-8.2 HA GLU 52 - QB ALA 46 far 0 98 0 - 8.7-13.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLU 47 + HA GLU 47 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLU 48 - HA GLU 47 far 4 73 5 - 4.0-6.5 HB3 GLU 48 - HA GLU 47 far 0 73 0 - 5.3-6.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4042 from cnoeabs.peaks (2.29, 4.25, 56.93 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 47 + HA GLU 47 OK 100 100 100 100 2.1-3.6 4057=100, 1.8/4063=66...(12) Violated in 4 structures by 0.01 A. 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 100 100 100 100 2.5-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (7.71, 2.06, 30.42 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HB2 GLU 47 OK 100 100 100 100 3.5-3.6 4.0=87, 1305/1.8=82...(9) Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (4.25, 2.06, 30.42 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 47 + HB2 GLU 47 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 46 - HB2 GLU 47 far 0 100 0 - 6.5-6.6 HA GLU 52 - HB2 GLN 28 far 0 88 0 - 7.3-10.2 HA GLU 41 - HB2 GLN 28 far 0 75 0 - 9.2-10.7 HA GLU 41 - HB2 GLU 47 far 0 84 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 GLU 47 + HB2 GLU 47 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 52 - HB2 GLN 28 far 0 84 0 - 5.3-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4050 from cnoeabs.peaks (7.71, 2.11, 30.42 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HB3 GLU 47 OK 100 100 100 100 2.2-2.8 1305=100, 4044/1.8=70...(9) Violated in 0 structures by 0.00 A. Peak 4051 from cnoeabs.peaks (4.25, 2.11, 30.42 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 47 + HB3 GLU 47 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 46 - HB3 GLU 47 far 0 100 0 - 5.6-6.1 HA GLU 41 - HB3 GLU 47 far 0 84 0 - 8.3-9.0 HA GLU 52 - HB3 GLU 47 far 0 96 0 - 9.3-16.2 Violated in 0 structures by 0.00 A. Peak 4052 from cnoeabs.peaks (2.06, 2.11, 30.42 ppm; 2.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 47 + HB3 GLU 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 48 - HB3 GLU 47 poor 15 73 20 - 3.4-5.3 HB3 GLU 48 - HB3 GLU 47 far 7 73 10 - 3.6-6.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4056 from cnoeabs.peaks (7.71, 2.29, 36.27 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HG2 GLU 47 OK 100 100 100 100 2.1-3.9 1306=100, 1307/1.8=83...(9) Violated in 0 structures by 0.00 A. Peak 4057 from cnoeabs.peaks (4.25, 2.29, 36.27 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 47 + HG2 GLU 47 OK 100 100 100 100 2.1-3.6 4042=96, 4063/1.8=64...(12) HA ALA 46 - HG2 GLU 47 far 0 100 0 - 5.2-6.1 HA GLU 41 - HG2 GLU 47 far 0 84 0 - 7.3-11.6 Violated in 5 structures by 0.02 A. Peak 4058 from cnoeabs.peaks (2.06, 2.29, 36.27 ppm; 2.63 A): 3 out of 19 assignments used, quality = 0.94: * HB2 GLU 47 + HG2 GLU 47 OK 84 100 100 84 2.5-3.0 3.0=67, 3.0/4057=29...(4) HB3 GLU 87 + HG3 GLU 87 OK 40 42 100 94 2.3-3.0 3.0=67, 1.8/5707=30...(15) HB3 GLU 87 + HG2 GLU 87 OK 40 42 100 94 2.3-3.0 3.0=67, 1.8/5707=30...(15) HB3 GLU 91 - HG3 GLU 87 far 0 50 0 - 5.3-9.0 HB2 GLU 48 - HG2 GLU 47 far 0 73 0 - 5.5-8.0 HB3 GLU 91 - HG2 GLU 87 far 0 50 0 - 6.0-9.9 HB2 GLU 89 - HG3 GLU 87 far 0 42 0 - 6.3-8.6 HB3 GLU 48 - HG2 GLU 47 far 0 73 0 - 6.4-8.2 HB2 GLU 89 - HG2 GLU 87 far 0 42 0 - 6.5-9.0 HB2 GLU 13 - HG2 GLU 111 far 0 49 0 - 6.5-10.5 HB3 GLN 85 - HG2 GLU 87 far 0 42 0 - 6.8-11.5 HB3 GLU 89 - HG3 GLU 87 far 0 42 0 - 7.2-9.9 HB3 GLN 85 - HG3 GLU 87 far 0 42 0 - 7.4-11.4 HB2 LYS 94 - HG3 GLU 87 far 0 48 0 - 7.6-12.3 HB3 GLU 89 - HG2 GLU 87 far 0 42 0 - 7.8-9.5 HB2 GLU 92 - HG3 GLU 87 far 0 67 0 - 7.8-12.8 HB2 GLU 92 - HG2 GLU 87 far 0 67 0 - 8.0-12.9 HB2 LYS 94 - HG2 GLU 87 far 0 48 0 - 8.8-12.7 HB VAL 117 - HG2 GLU 111 far 0 48 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4059 from cnoeabs.peaks (2.11, 2.29, 36.27 ppm; 2.63 A): 4 out of 13 assignments used, quality = 0.96: * HB3 GLU 47 + HG2 GLU 47 OK 84 100 100 84 2.3-3.0 3.0=67, 3.0/4057=29...(4) HB2 GLU 87 + HG3 GLU 87 OK 40 42 100 95 2.3-3.0 3.0=67, 1.8/5713=31...(15) HB2 GLU 87 + HG2 GLU 87 OK 40 42 100 95 2.6-3.0 3.0=67, 1.8/5713=31...(15) HB2 GLU 111 + HG2 GLU 111 OK 36 44 100 80 2.3-3.0 3.0=67, 3.0/6595=16...(6) HB2 GLU 91 - HG3 GLU 87 far 2 45 5 - 4.1-7.4 HB2 GLU 91 - HG2 GLU 87 far 0 45 0 - 4.6-8.6 HG2 GLU 21 - HG2 GLU 111 far 0 54 0 - 6.2-12.1 HG3 GLU 21 - HG2 GLU 111 far 0 52 0 - 6.6-10.9 HB VAL 107 - HG2 GLU 111 far 0 52 0 - 7.6-11.6 HG3 GLN 83 - HG2 GLU 111 far 0 51 0 - 7.8-11.0 HB3 GLU 92 - HG3 GLU 87 far 0 67 0 - 8.2-11.5 HB2 GLU 21 - HG2 GLU 111 far 0 52 0 - 8.4-12.4 HB3 GLU 92 - HG2 GLU 87 far 0 67 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4062 from cnoeabs.peaks (7.71, 2.50, 36.27 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HG3 GLU 47 OK 100 100 100 100 2.0-3.3 1307=100, 1306/1.8=72...(11) Violated in 0 structures by 0.00 A. Peak 4063 from cnoeabs.peaks (4.25, 2.50, 36.27 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 47 + HG3 GLU 47 OK 100 100 100 100 2.5-3.7 3.9=93, 4057/1.8=82...(17) HA ALA 46 - HG3 GLU 47 far 15 100 15 - 5.2-6.0 HA GLU 41 - HG3 GLU 47 far 0 84 0 - 7.5-10.0 Violated in 0 structures by 0.00 A. Peak 4064 from cnoeabs.peaks (2.06, 2.50, 36.27 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 47 + HG3 GLU 47 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 48 - HG3 GLU 47 far 0 73 0 - 5.3-7.4 HB3 GLU 48 - HG3 GLU 47 far 0 73 0 - 5.4-8.3 Violated in 0 structures by 0.00 A. Peak 4065 from cnoeabs.peaks (2.11, 2.50, 36.27 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 47 + HG3 GLU 47 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 52 - HG3 GLU 47 far 0 92 0 - 9.9-18.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 47 + HA GLU 48 OK 49 73 95 70 4.0-5.7 ~284=35, ~7529=33...(4) HB2 MET 1 - HA GLU 48 far 0 92 0 - 8.8-16.1 HG3 GLU 52 - HA GLU 48 far 0 99 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (2.04, 4.37, 56.02 ppm; 3.75 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 47 + HA GLU 48 OK 49 73 95 70 4.0-5.7 ~284=35, ~7529=33...(4) HB2 MET 1 - HA GLU 48 far 0 92 0 - 8.8-16.1 HG3 GLU 52 - HA GLU 48 far 0 99 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 4072 from cnoeabs.peaks (2.20, 4.37, 56.02 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.2-4.0 4.0=100 HB3 MET 1 - HA GLU 48 far 0 99 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.7 4.0=100 Violated in 0 structures by 0.00 A. 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 + HB2 GLU 48 OK 100 100 100 100 2.2-3.8 4.1=100 H GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.7-4.1 4.1=100 Violated in 0 structures by 0.00 A. Peak 4075 from cnoeabs.peaks (4.37, 2.04, 29.91 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.5-3.0 3.0=100 HA MET 42 - HB2 GLU 48 far 0 92 0 - 8.1-12.0 HA MET 42 - HB3 GLU 48 far 0 92 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 MET 1 - HB3 GLU 48 far 0 99 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 + HB2 GLU 48 OK 100 100 100 100 2.2-3.8 4.1=100 * H GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.7-4.1 4.1=100 Violated in 0 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (4.37, 2.04, 29.91 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HA GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.5-3.0 3.0=100 HA MET 42 - HB2 GLU 48 far 0 92 0 - 8.1-12.0 HA MET 42 - HB3 GLU 48 far 0 92 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: HG2 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 MET 1 - HB3 GLU 48 far 0 99 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4086 from cnoeabs.peaks (7.75, 2.20, 36.01 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 48 + HG2 GLU 48 OK 99 100 100 99 2.5-4.6 5.1=83, 1313/1.8=77...(5) Violated in 0 structures by 0.00 A. Peak 4087 from cnoeabs.peaks (4.37, 2.20, 36.01 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.2-4.0 4.0=100 HA MET 42 - HG2 GLU 48 far 0 92 0 - 8.4-12.6 Violated in 0 structures by 0.00 A. Peak 4088 from cnoeabs.peaks (2.04, 2.20, 36.01 ppm; 2.82 A): 2 out of 5 assignments used, quality = 0.99: * HB2 GLU 48 + HG2 GLU 48 OK 92 100 100 92 2.3-3.0 3.0=83, 4.1/4086=16...(8) HB3 GLU 48 + HG2 GLU 48 OK 92 100 100 92 2.3-3.0 3.0=83, 4.1/4086=16...(8) HB2 GLU 47 - HG2 GLU 48 poor 5 73 30 21 3.3-7.4 4.6/4086=14, 4070/4.0=5...(4) HB2 MET 1 - HG2 GLU 48 far 0 92 0 - 7.8-17.6 HG3 GLU 52 - HG2 GLU 48 far 0 99 0 - 8.1-15.0 Violated in 0 structures by 0.00 A. Peak 4089 from cnoeabs.peaks (2.04, 2.20, 36.01 ppm; 2.82 A): 2 out of 5 assignments used, quality = 0.99: HB2 GLU 48 + HG2 GLU 48 OK 92 100 100 92 2.3-3.0 3.0=83, 4.1/4086=16...(8) * HB3 GLU 48 + HG2 GLU 48 OK 92 100 100 92 2.3-3.0 3.0=83, 4.1/4086=16...(8) HB2 GLU 47 - HG2 GLU 48 poor 5 73 30 21 3.3-7.4 4.6/4086=14, 4070/4.0=5...(4) HB2 MET 1 - HG2 GLU 48 far 0 92 0 - 7.8-17.6 HG3 GLU 52 - HG2 GLU 48 far 0 99 0 - 8.1-15.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4092 from cnoeabs.peaks (7.75, 2.32, 36.01 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 48 + HG3 GLU 48 OK 100 100 100 100 2.8-4.6 1313=100, 4086/1.8=83...(5) H LEU 114 - HG3 GLU 13 far 0 84 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 4093 from cnoeabs.peaks (4.37, 2.32, 36.01 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 48 + HG3 GLU 48 OK 100 100 100 100 2.4-3.7 4.0=100 HA MET 42 - HG3 GLU 48 far 0 92 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 4094 from cnoeabs.peaks (2.04, 2.32, 36.01 ppm; 2.40 A): 5 out of 18 assignments used, quality = 1.00: HB2 GLU 89 + HG3 GLU 89 OK 81 90 100 90 2.3-3.0 3.0=51, 5755/1.8=27...(19) HB3 GLU 89 + HG3 GLU 89 OK 81 90 100 90 2.6-3.0 3.0=51, 5755/1.8=27...(19) HB2 GLU 92 + HG2 GLU 92 OK 79 82 100 96 2.3-3.0 3.0=51, 1.8/5863=47...(19) HB3 GLU 48 + HG3 GLU 48 OK 74 100 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) * HB2 GLU 48 + HG3 GLU 48 OK 74 100 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 47 - HG3 GLU 48 far 0 73 0 - 4.0-7.6 HB2 GLU 89 - HG2 GLU 92 far 0 99 0 - 4.0-8.1 HB3 GLU 89 - HG2 GLU 92 far 0 99 0 - 4.3-7.4 HB2 GLU 92 - HG3 GLU 89 far 0 70 0 - 5.1-8.5 HB3 GLU 87 - HG3 GLU 89 far 0 90 0 - 6.4-8.8 HB3 GLU 98 - HG3 GLU 103 far 0 52 0 - 6.4-9.9 HB3 GLN 85 - HG3 GLU 89 far 0 90 0 - 6.8-10.0 HG3 GLU 52 - HG3 GLU 48 far 0 99 0 - 7.2-14.0 HB3 GLU 87 - HG2 GLU 92 far 0 99 0 - 8.8-11.1 HB2 MET 1 - HG3 GLU 48 far 0 92 0 - 9.1-17.6 HB3 GLU 111 - HG3 GLU 13 far 0 54 0 - 9.4-13.1 HB3 GLN 100 - HG3 GLU 103 far 0 63 0 - 9.5-11.7 HB3 GLU 98 - HG2 GLU 92 far 0 82 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (2.04, 2.32, 36.01 ppm; 2.40 A): 5 out of 18 assignments used, quality = 1.00: HB2 GLU 89 + HG3 GLU 89 OK 81 90 100 90 2.3-3.0 3.0=51, 5755/1.8=27...(19) HB3 GLU 89 + HG3 GLU 89 OK 81 90 100 90 2.6-3.0 3.0=51, 5755/1.8=27...(19) HB2 GLU 92 + HG2 GLU 92 OK 79 82 100 96 2.3-3.0 3.0=51, 1.8/5863=47...(19) * HB3 GLU 48 + HG3 GLU 48 OK 74 100 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 48 + HG3 GLU 48 OK 74 100 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 47 - HG3 GLU 48 far 0 73 0 - 4.0-7.6 HB2 GLU 89 - HG2 GLU 92 far 0 99 0 - 4.0-8.1 HB3 GLU 89 - HG2 GLU 92 far 0 99 0 - 4.3-7.4 HB2 GLU 92 - HG3 GLU 89 far 0 70 0 - 5.1-8.5 HB3 GLU 87 - HG3 GLU 89 far 0 90 0 - 6.4-8.8 HB3 GLU 98 - HG3 GLU 103 far 0 52 0 - 6.4-9.9 HB3 GLN 85 - HG3 GLU 89 far 0 90 0 - 6.8-10.0 HG3 GLU 52 - HG3 GLU 48 far 0 99 0 - 7.2-14.0 HB3 GLU 87 - HG2 GLU 92 far 0 99 0 - 8.8-11.1 HB2 MET 1 - HG3 GLU 48 far 0 92 0 - 9.1-17.6 HB3 GLU 111 - HG3 GLU 13 far 0 54 0 - 9.4-13.1 HB3 GLN 100 - HG3 GLU 103 far 0 63 0 - 9.5-11.7 HB3 GLU 98 - HG2 GLU 92 far 0 82 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (2.20, 2.32, 36.01 ppm; 2.45 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 48 + HG3 GLU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 100 - HG3 GLU 103 far 0 63 0 - 9.2-11.1 HB3 MET 1 - HG3 GLU 48 far 0 99 0 - 9.3-18.6 HB2 GLN 83 - HG3 GLU 13 far 0 75 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 45 - HA LYS 49 far 0 99 0 - 5.4-9.6 HB2 LYS 44 - HA LYS 49 far 0 87 0 - 7.0-11.4 HG LEU 45 - HA LYS 49 far 0 70 0 - 7.1-10.9 HB3 LYS 44 - HA LYS 49 far 0 97 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4102 from cnoeabs.peaks (1.46, 4.32, 56.52 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: HG3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.1-4.2 3.9=91, 1.8/4129=39...(24) * HG2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.2-3.8 3.9=91, 1.8/4139=39...(24) HB2 LEU 74 - HA LYS 49 far 0 96 0 - 7.9-13.3 Violated in 0 structures by 0.00 A. Peak 4103 from cnoeabs.peaks (1.46, 4.32, 56.52 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.1-4.2 3.9=91, 1.8/4129=39...(24) HG2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.2-3.8 3.9=91, 1.8/4139=39...(24) HB2 LEU 74 - HA LYS 49 far 0 96 0 - 7.9-13.3 Violated in 0 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (1.65, 4.32, 56.52 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: HD3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.0-4.6 4149=50, 1.8/4159=40...(33) * HD2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.6-4.9 4159=50, 1.8/4159=40...(33) HB2 GLU 52 - HA LYS 49 far 0 100 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 4105 from cnoeabs.peaks (1.65, 4.32, 56.52 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.0-4.6 4149=50, 1.8/4159=40...(33) HD2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.6-4.9 4159=50, 1.8/4159=40...(33) HB2 GLU 52 - HA LYS 49 far 0 100 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 4108 from cnoeabs.peaks (8.61, 1.90, 32.46 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.7 4.0=100 H ALA 124 + HB3 LYS 123 OK 44 44 100 100 2.2-2.6 786/1.8=86, 4.4=86...(12) H LEU 80 - HB3 LYS 123 far 0 44 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4110 from cnoeabs.peaks (1.90, 1.90, 32.46 ppm; diagonal): 2 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): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 123 + HB3 LYS 123 OK 42 43 100 99 3.6-3.8 7129/1.8=48, 7132/2.9=42...(37) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4114 from cnoeabs.peaks (1.65, 1.90, 32.46 ppm; 2.97 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 49 + HB2 LYS 49 OK 99 100 100 99 2.2-3.9 4150=45, 4151/1.8=34...(41) HD3 LYS 49 + HB2 LYS 49 OK 99 100 100 99 2.4-4.0 4150=45, 4151/1.8=34...(41) HB2 GLU 52 - HB2 LYS 49 far 5 100 5 - 4.4-13.3 HB ILE 5 - HB3 LYS 123 far 0 43 0 - 9.2-10.5 Violated in 9 structures by 0.10 A. Peak 4115 from cnoeabs.peaks (1.65, 1.90, 32.46 ppm; 2.97 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 49 + HB2 LYS 49 OK 99 100 100 99 2.2-3.9 4150=45, 4151/1.8=34...(41) * HD3 LYS 49 + HB2 LYS 49 OK 99 100 100 99 2.4-4.0 4150=45, 4151/1.8=34...(41) HB2 GLU 52 - HB2 LYS 49 far 5 100 5 - 4.4-13.3 HB ILE 5 - HB3 LYS 123 far 0 43 0 - 9.2-10.5 Violated in 9 structures by 0.10 A. Peak 4116 from cnoeabs.peaks (3.02, 1.90, 32.46 ppm; 5.56 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 3.2-5.4 5.1=100 * HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 3.9-5.5 5.1=100 HE2 LYS 123 + HB3 LYS 123 OK 46 46 100 100 4.1-5.1 5.1=100 HE3 LYS 123 + HB3 LYS 123 OK 44 44 100 100 4.0-5.1 5.1=100 HB2 PHE 51 - HB2 LYS 49 poor 17 87 20 - 3.6-11.1 Violated in 0 structures by 0.00 A. Peak 4117 from cnoeabs.peaks (3.02, 1.90, 32.46 ppm; 5.56 A): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 3.2-5.4 5.1=100 HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 3.9-5.5 5.1=100 HE2 LYS 123 + HB3 LYS 123 OK 46 46 100 100 4.1-5.1 5.1=100 HE3 LYS 123 + HB3 LYS 123 OK 44 44 100 100 4.0-5.1 5.1=100 HB2 PHE 51 - HB2 LYS 49 poor 17 87 20 - 3.6-11.1 Violated in 0 structures by 0.00 A. Peak 4118 from cnoeabs.peaks (8.61, 1.75, 32.46 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 49 + HB3 LYS 49 OK 99 100 100 99 2.2-3.8 4.0=97, 1319/3.0=26...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4120 from cnoeabs.peaks (1.90, 1.75, 32.46 ppm; 2.67 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 44 - HB3 LYS 49 far 0 87 0 - 5.2-13.3 HB3 LYS 44 - HB3 LYS 49 far 0 97 0 - 6.9-12.9 HB2 LEU 45 - HB3 LYS 49 far 0 99 0 - 7.9-10.9 HG LEU 45 - HB3 LYS 49 far 0 70 0 - 8.2-12.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 74 - HB3 LYS 49 far 0 96 0 - 9.4-15.8 Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (1.46, 1.75, 32.46 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 74 - HB3 LYS 49 far 0 96 0 - 9.4-15.8 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (1.65, 1.75, 32.46 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-3.6 3.9=78, 1.8/4151=44...(45) HD3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-3.5 3.9=78, 1.8/4161=44...(45) HB2 GLU 52 - HB3 LYS 49 far 5 100 5 - 4.8-14.1 Violated in 0 structures by 0.00 A. Peak 4125 from cnoeabs.peaks (1.65, 1.75, 32.46 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-3.6 3.9=78, 1.8/4151=44...(45) * HD3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-3.5 3.9=78, 1.8/4161=44...(45) HB2 GLU 52 - HB3 LYS 49 far 5 100 5 - 4.8-14.1 Violated in 0 structures by 0.00 A. Peak 4126 from cnoeabs.peaks (3.02, 1.75, 32.46 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.5-4.8 5.1=100 HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 PHE 51 - HB3 LYS 49 lone 1 87 55 2 5.4-10.1 Violated in 0 structures by 0.00 A. Peak 4127 from cnoeabs.peaks (3.02, 1.75, 32.46 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.5-4.8 5.1=100 * HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 PHE 51 - HB3 LYS 49 lone 1 87 55 2 5.4-10.1 Violated in 0 structures by 0.00 A. Peak 4128 from cnoeabs.peaks (8.61, 1.46, 24.65 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: H LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-4.6 4.8=89, 4118/3.0=75...(18) * H LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-4.9 4.8=89, 4118/3.0=75...(18) Violated in 0 structures by 0.00 A. Peak 4129 from cnoeabs.peaks (4.32, 1.46, 24.65 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.1-4.2 3.9=79, 4102/1.8=34...(24) * HA LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.8 3.9=79, 4103/1.8=34...(24) Violated in 0 structures by 0.00 A. Peak 4130 from cnoeabs.peaks (1.90, 1.46, 24.65 ppm; 2.86 A): 2 out of 11 assignments used, quality = 1.00: HB2 LYS 49 + HG3 LYS 49 OK 99 100 100 99 2.2-3.0 3.0=88, 4115/3.0=22...(28) * HB2 LYS 49 + HG2 LYS 49 OK 99 100 100 99 2.2-3.0 3.0=88, 4115/3.0=22...(28) HB2 LYS 44 - HG3 LYS 49 far 0 87 0 - 5.3-13.6 HB2 LYS 44 - HG2 LYS 49 far 0 87 0 - 5.6-14.3 HB2 LEU 45 - HG2 LYS 49 far 0 99 0 - 6.3-11.9 HB3 LYS 44 - HG3 LYS 49 far 0 97 0 - 7.1-12.9 HB3 LYS 44 - HG2 LYS 49 far 0 97 0 - 7.3-13.9 HB2 LEU 45 - HG3 LYS 49 far 0 99 0 - 7.6-11.1 HG LEU 45 - HG2 LYS 49 far 0 70 0 - 8.4-13.7 HG LEU 45 - HG3 LYS 49 far 0 70 0 - 9.2-13.1 HB3 LYS 43 - HG2 LYS 49 far 0 100 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. 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 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HD3 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) HD2 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) * HD2 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HD3 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.2-13.8 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 7.0-13.9 Violated in 0 structures by 0.00 A. Peak 4135 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 2.55 A): 4 out of 6 assignments used, quality = 1.00: * HD3 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) HD2 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) HD2 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HD3 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.2-13.8 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 7.0-13.9 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=88, 1.8/4173=21...(44) HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) HE2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) * HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-4.2 3.8=88, 1.8/4173=21...(44) HB2 PHE 51 - HG3 LYS 49 far 9 87 10 - 4.4-11.0 HB2 PHE 51 - HG2 LYS 49 far 4 87 5 - 4.3-10.7 Violated in 0 structures by 0.00 A. Peak 4137 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=88, 1.8/4173=21...(44) * HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) HE2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-4.2 3.8=88, 1.8/4173=21...(44) HB2 PHE 51 - HG3 LYS 49 far 9 87 10 - 4.4-11.0 HB2 PHE 51 - HG2 LYS 49 far 4 87 5 - 4.3-10.7 Violated in 0 structures by 0.00 A. Peak 4138 from cnoeabs.peaks (8.61, 1.46, 24.65 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-4.6 4.8=89, 4118/3.0=75...(18) H LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-4.9 4.8=89, 4118/3.0=75...(18) Violated in 0 structures by 0.00 A. Peak 4139 from cnoeabs.peaks (4.32, 1.46, 24.65 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.1-4.2 3.9=79, 4102/1.8=34...(24) HA LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.8 3.9=79, 4103/1.8=34...(24) Violated in 0 structures by 0.00 A. Peak 4140 from cnoeabs.peaks (1.90, 1.46, 24.65 ppm; 2.86 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 49 + HG3 LYS 49 OK 99 100 100 99 2.2-3.0 3.0=88, 4115/3.0=22...(28) HB2 LYS 49 + HG2 LYS 49 OK 99 100 100 99 2.2-3.0 3.0=88, 4115/3.0=22...(28) HB2 LYS 44 - HG3 LYS 49 far 0 87 0 - 5.3-13.6 HB2 LYS 44 - HG2 LYS 49 far 0 87 0 - 5.6-14.3 HB2 LEU 45 - HG2 LYS 49 far 0 99 0 - 6.3-11.9 HB3 LYS 44 - HG3 LYS 49 far 0 97 0 - 7.1-12.9 HB3 LYS 44 - HG2 LYS 49 far 0 97 0 - 7.3-13.9 HB2 LEU 45 - HG3 LYS 49 far 0 99 0 - 7.6-11.1 HG LEU 45 - HG2 LYS 49 far 0 70 0 - 8.4-13.7 HG LEU 45 - HG3 LYS 49 far 0 70 0 - 9.2-13.1 HB3 LYS 43 - HG2 LYS 49 far 0 100 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. 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 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HD3 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) * HD2 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) HD2 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HD3 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.2-13.8 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 7.0-13.9 Violated in 0 structures by 0.00 A. Peak 4145 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 2.55 A): 4 out of 6 assignments used, quality = 1.00: HD3 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) HD2 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=64, 4151/3.0=17...(43) HD2 LYS 49 + HG2 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) * HD3 LYS 49 + HG3 LYS 49 OK 97 100 100 97 2.6-3.0 3.0=64, 4151/3.0=17...(43) HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.2-13.8 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 7.0-13.9 Violated in 0 structures by 0.00 A. Peak 4146 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=88, 1.8/4173=21...(44) HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) * HE2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-4.2 3.8=88, 1.8/4173=21...(44) HB2 PHE 51 - HG3 LYS 49 far 9 87 10 - 4.4-11.0 HB2 PHE 51 - HG2 LYS 49 far 4 87 5 - 4.3-10.7 Violated in 0 structures by 0.00 A. Peak 4147 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=88, 1.8/4173=21...(44) HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) HE2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-3.9 3.8=88, 1.8/4173=21...(44) HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-4.2 3.8=88, 1.8/4173=21...(44) HB2 PHE 51 - HG3 LYS 49 far 9 87 10 - 4.4-11.0 HB2 PHE 51 - HG2 LYS 49 far 4 87 5 - 4.3-10.7 Violated in 0 structures by 0.00 A. Peak 4149 from cnoeabs.peaks (4.32, 1.65, 28.78 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.0-4.6 4104=44, 3.0/4151=37...(33) * HA LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.6-4.9 4105=44, 3.0/4161=37...(33) Violated in 8 structures by 0.03 A. Peak 4150 from cnoeabs.peaks (1.90, 1.65, 28.78 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 49 + HD2 LYS 49 OK 99 100 100 99 2.2-3.9 4114=50, 1.8/4161=36...(41) HB2 LYS 49 + HD3 LYS 49 OK 99 100 100 99 2.4-4.0 4115=50, 1.8/4161=36...(41) HB2 LYS 44 - HD2 LYS 49 far 0 87 0 - 7.5-14.5 HB2 LYS 44 - HD3 LYS 49 far 0 87 0 - 7.7-14.7 HB2 LEU 45 - HD3 LYS 49 far 0 99 0 - 8.7-13.1 HB2 LEU 45 - HD2 LYS 49 far 0 99 0 - 8.8-12.7 HB3 LYS 44 - HD2 LYS 49 far 0 97 0 - 9.2-14.7 HB3 LYS 44 - HD3 LYS 49 far 0 97 0 - 9.5-14.6 Violated in 9 structures by 0.06 A. Peak 4151 from cnoeabs.peaks (1.75, 1.65, 28.78 ppm; 2.94 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HD2 LYS 49 OK 99 100 100 99 2.1-3.6 3.9=43, 1.8/4115=33...(45) HB3 LYS 49 + HD3 LYS 49 OK 99 100 100 99 2.1-3.5 3.9=43, 1.8/4114=33...(45) Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) HG3 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) * HG2 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4151=19...(43) HG3 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4161=19...(43) HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 9.3-16.5 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) * HG3 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) HG2 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4151=19...(43) HG3 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4161=19...(43) HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 9.3-16.5 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 6.5-13.0 HB2 PHE 51 - HD3 LYS 49 far 0 87 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (3.02, 1.65, 28.78 ppm; 3.30 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 6.5-13.0 HB2 PHE 51 - HD3 LYS 49 far 0 87 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (4.32, 1.65, 28.78 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.0-4.6 4104=44, 3.0/4151=37...(33) HA LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.6-4.9 4105=44, 3.0/4161=37...(33) Violated in 8 structures by 0.03 A. Peak 4160 from cnoeabs.peaks (1.90, 1.65, 28.78 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: HB2 LYS 49 + HD2 LYS 49 OK 99 100 100 99 2.2-3.9 4114=50, 1.8/4161=36...(41) * HB2 LYS 49 + HD3 LYS 49 OK 99 100 100 99 2.4-4.0 4115=50, 1.8/4161=36...(41) HB2 LYS 44 - HD2 LYS 49 far 0 87 0 - 7.5-14.5 HB2 LYS 44 - HD3 LYS 49 far 0 87 0 - 7.7-14.7 HB2 LEU 45 - HD3 LYS 49 far 0 99 0 - 8.7-13.1 HB2 LEU 45 - HD2 LYS 49 far 0 99 0 - 8.8-12.7 HB3 LYS 44 - HD2 LYS 49 far 0 97 0 - 9.2-14.7 HB3 LYS 44 - HD3 LYS 49 far 0 97 0 - 9.5-14.6 Violated in 9 structures by 0.06 A. Peak 4161 from cnoeabs.peaks (1.75, 1.65, 28.78 ppm; 2.94 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 49 + HD2 LYS 49 OK 99 100 100 99 2.1-3.6 3.9=43, 1.8/4115=33...(45) * HB3 LYS 49 + HD3 LYS 49 OK 99 100 100 99 2.1-3.5 3.9=43, 1.8/4114=33...(45) Violated in 0 structures by 0.00 A. Peak 4162 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 6 assignments used, quality = 1.00: * HG2 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) HG3 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) HG2 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4151=19...(43) HG3 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4161=19...(43) HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 9.3-16.5 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) HG3 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.3-3.0 3.0=72, 3.0/4161=19...(43) HG2 LYS 49 + HD2 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4151=19...(43) * HG3 LYS 49 + HD3 LYS 49 OK 98 100 100 98 2.6-3.0 3.0=72, 3.0/4161=19...(43) HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 9.3-16.5 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 6.5-13.0 HB2 PHE 51 - HD3 LYS 49 far 0 87 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 4167 from cnoeabs.peaks (3.02, 1.65, 28.78 ppm; 3.30 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 6.5-13.0 HB2 PHE 51 - HD3 LYS 49 far 0 87 0 - 6.6-12.7 Violated in 0 structures by 0.00 A. Peak 4170 from cnoeabs.peaks (1.90, 3.02, 41.78 ppm; 4.28 A): 4 out of 16 assignments used, quality = 1.00: HB2 LYS 49 + HE3 LYS 49 OK 100 100 100 100 3.2-5.4 5.1=58, 4115/3.0=42...(36) * HB2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 3.9-5.5 5.1=58, 4115/3.0=42...(36) HB3 LYS 123 + HE2 LYS 123 OK 76 76 100 100 4.1-5.1 7093/3.0=65, 5.1=60...(28) HB3 LYS 123 + HE3 LYS 123 OK 70 70 100 100 4.0-5.1 7093/3.0=65, 5.1=60...(28) HB2 ARG 95 - HE2 LYS 94 far 5 98 5 - 5.3-9.7 HB2 LEU 45 - HE3 LYS 49 far 0 99 0 - 7.1-13.9 HB2 LYS 44 - HE3 LYS 49 far 0 87 0 - 7.5-16.3 HB2 LEU 45 - HE2 LYS 49 far 0 99 0 - 7.9-14.1 HB2 LYS 44 - HE2 LYS 49 far 0 87 0 - 8.0-16.4 HG2 MET 121 - HE3 LYS 123 far 0 58 0 - 8.7-13.0 HB2 LYS 96 - HE2 LYS 94 far 0 98 0 - 8.7-11.5 HB3 LYS 44 - HE3 LYS 49 far 0 97 0 - 9.2-16.0 HG2 MET 121 - HE2 LYS 123 far 0 65 0 - 9.2-13.2 HG LEU 45 - HE3 LYS 49 far 0 70 0 - 9.2-15.8 HB3 LYS 44 - HE2 LYS 49 far 0 97 0 - 9.7-15.3 HG LEU 45 - HE2 LYS 49 far 0 70 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 4171 from cnoeabs.peaks (1.75, 3.02, 41.78 ppm; 3.83 A): 5 out of 11 assignments used, quality = 1.00: * HB3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.5-4.8 5.1=42, 4151/3.0=37...(37) HB3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 3.2-5.1 5.1=42, 4151/3.0=37...(37) HD3 LYS 123 + HE2 LYS 123 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 90 90 100 100 2.3-3.0 3.0=100 HB3 LYS 94 + HE2 LYS 94 OK 51 54 100 95 2.7-5.1 4.8=50, ~6010=37...(12) HG3 ARG 105 - HE2 LYS 94 far 5 98 5 - 5.2-9.4 HB2 LEU 80 - HE2 LYS 94 far 0 98 0 - 5.9-10.9 HB3 LEU 82 - HE2 LYS 94 far 0 58 0 - 6.1-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 99 0 - 6.7-13.7 HG3 ARG 105 - HE3 LYS 123 far 0 95 0 - 7.1-12.7 HB2 LEU 80 - HE3 LYS 123 far 0 95 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4172 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: HG3 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.1-3.8 3.8=56, 4144/3.0=15...(44) HG2 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) HG3 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) * HG2 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-4.2 3.8=56, 4144/3.0=15...(44) HG2 LYS 106 - HE2 LYS 94 lone 4 98 55 7 2.1-7.0 10286/11308=3 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 5.2-11.6 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: HG3 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.1-3.8 3.8=56, 4144/3.0=15...(44) HG2 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) * HG3 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) HG2 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-4.2 3.8=56, 4144/3.0=15...(44) HG2 LYS 106 - HE2 LYS 94 lone 4 98 55 7 2.1-7.0 10286/11308=3 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 5.2-11.6 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) HD2 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) * HD2 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HD3 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HG LEU 90 - HE2 LYS 94 far 8 77 10 - 2.9-10.5 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.9-16.7 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 9.0-16.0 HD2 LYS 115 - HE2 LYS 123 far 0 99 0 - 9.3-18.1 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) HD2 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) HD2 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HD3 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HG LEU 90 - HE2 LYS 94 far 8 77 10 - 2.9-10.5 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.9-16.7 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 9.0-16.0 HD2 LYS 115 - HE2 LYS 123 far 0 99 0 - 9.3-18.1 Violated in 0 structures by 0.00 A. 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 16 assignments used, quality = 1.00: * HB2 LYS 49 + HE3 LYS 49 OK 100 100 100 100 3.2-5.4 5.1=58, 4115/3.0=42...(36) HB2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 3.9-5.5 5.1=58, 4115/3.0=42...(36) HB3 LYS 123 + HE2 LYS 123 OK 76 76 100 100 4.1-5.1 7093/3.0=65, 5.1=60...(28) HB3 LYS 123 + HE3 LYS 123 OK 70 70 100 100 4.0-5.1 7093/3.0=65, 5.1=60...(28) HB2 ARG 95 - HE2 LYS 94 far 5 98 5 - 5.3-9.7 HB2 LEU 45 - HE3 LYS 49 far 0 99 0 - 7.1-13.9 HB2 LYS 44 - HE3 LYS 49 far 0 87 0 - 7.5-16.3 HB2 LEU 45 - HE2 LYS 49 far 0 99 0 - 7.9-14.1 HB2 LYS 44 - HE2 LYS 49 far 0 87 0 - 8.0-16.4 HG2 MET 121 - HE3 LYS 123 far 0 58 0 - 8.7-13.0 HB2 LYS 96 - HE2 LYS 94 far 0 98 0 - 8.7-11.5 HB3 LYS 44 - HE3 LYS 49 far 0 97 0 - 9.2-16.0 HG2 MET 121 - HE2 LYS 123 far 0 65 0 - 9.2-13.2 HG LEU 45 - HE3 LYS 49 far 0 70 0 - 9.2-15.8 HB3 LYS 44 - HE2 LYS 49 far 0 97 0 - 9.7-15.3 HG LEU 45 - HE2 LYS 49 far 0 70 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (1.75, 3.02, 41.78 ppm; 3.83 A): 5 out of 11 assignments used, quality = 1.00: HB3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.5-4.8 5.1=42, 4151/3.0=37...(37) * HB3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 3.2-5.1 5.1=42, 4151/3.0=37...(37) HD3 LYS 123 + HE2 LYS 123 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 90 90 100 100 2.3-3.0 3.0=100 HB3 LYS 94 + HE2 LYS 94 OK 51 54 100 95 2.7-5.1 4.8=50, ~6010=37...(12) HG3 ARG 105 - HE2 LYS 94 far 5 98 5 - 5.2-9.4 HB2 LEU 80 - HE2 LYS 94 far 0 98 0 - 5.9-10.9 HB3 LEU 82 - HE2 LYS 94 far 0 58 0 - 6.1-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 99 0 - 6.7-13.7 HG3 ARG 105 - HE3 LYS 123 far 0 95 0 - 7.1-12.7 HB2 LEU 80 - HE3 LYS 123 far 0 95 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: HG3 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.1-3.8 3.8=56, 4144/3.0=15...(44) * HG2 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) HG3 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) HG2 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-4.2 3.8=56, 4144/3.0=15...(44) HG2 LYS 106 - HE2 LYS 94 lone 4 98 55 7 2.1-7.0 10286/11308=3 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 5.2-11.6 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: * HG3 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.1-3.8 3.8=56, 4144/3.0=15...(44) HG2 LYS 49 + HE3 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) HG3 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-3.9 3.8=56, 4144/3.0=15...(44) HG2 LYS 49 + HE2 LYS 49 OK 98 100 100 98 2.2-4.2 3.8=56, 4144/3.0=15...(44) HG2 LYS 106 - HE2 LYS 94 lone 4 98 55 7 2.1-7.0 10286/11308=3 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 5.2-11.6 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 4184 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) * HD2 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) HD2 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HD3 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HG LEU 90 - HE2 LYS 94 far 8 77 10 - 2.9-10.5 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.9-16.7 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 9.0-16.0 HD2 LYS 115 - HE2 LYS 123 far 0 99 0 - 9.3-18.1 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) HD2 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.3-3.0 3.0=77, 3.0/4183=9...(22) HD2 LYS 49 + HE2 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) * HD3 LYS 49 + HE3 LYS 49 OK 91 100 100 91 2.4-3.0 3.0=77, 3.0/4183=9...(22) HG LEU 90 - HE2 LYS 94 far 8 77 10 - 2.9-10.5 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.9-16.7 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 9.0-16.0 HD2 LYS 115 - HE2 LYS 123 far 0 99 0 - 9.3-18.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ASN 50 + HA ASN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 50 + HA ASN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 53 - HA ASN 50 far 0 90 0 - 8.8-14.1 Violated in 0 structures by 0.00 A. Peak 4191 from cnoeabs.peaks (2.71, 4.62, 53.55 ppm; 3.17 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 50 + HA ASN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 50 + HA ASN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 53 - HA ASN 50 far 0 92 0 - 8.8-14.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HA ASN 50 + HB3 ASN 50 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HD21 ASN 50 + HB2 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HD21 ASN 50 + HB3 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 H ALA 46 - HB2 ASN 50 far 5 99 5 - 5.4-11.0 H ALA 46 - HB3 ASN 50 far 5 99 5 - 5.8-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 50 + HB3 ASN 50 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HA ASN 50 + HB2 ASN 50 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HD21 ASN 50 + HB3 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 HD21 ASN 50 + HB2 ASN 50 OK 100 100 100 100 2.1-3.6 3.5=100 H ALA 46 - HB3 ASN 50 far 5 99 5 - 5.8-10.9 H ALA 46 - HB2 ASN 50 far 5 99 5 - 5.4-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 50 + HB2 ASN 50 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 4206 from cnoeabs.peaks (8.34, 4.76, 57.94 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 51 + HA PHE 51 OK 100 100 100 100 2.8-2.9 2.9=100 H GLN 28 - HA PHE 51 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 PHE 51 + HA PHE 51 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 - HA PHE 51 far 4 87 5 - 5.9-12.4 HE3 LYS 49 - HA PHE 51 far 0 87 0 - 7.2-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 4215 from cnoeabs.peaks (4.76, 3.03, 38.98 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 51 + HB2 PHE 51 OK 100 100 100 100 2.3-3.0 3.0=100 HA THR 9 - HB3 PHE 93 far 0 50 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 PHE 51 + HB2 PHE 51 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 106 - HB3 PHE 93 far 0 64 0 - 6.8-11.0 HE3 LYS 106 - HB3 PHE 93 far 0 67 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (7.12, 3.03, 38.98 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 51 + HB2 PHE 51 OK 100 100 100 100 2.3-2.7 2.4=100 QE PHE 93 + HB3 PHE 93 OK 64 70 100 93 4.4-4.5 4.4=76, 10822/3.0=39...(4) Violated in 0 structures by 0.00 A. Peak 4222 from cnoeabs.peaks (8.34, 2.97, 38.98 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 51 + HB3 PHE 51 OK 100 100 100 100 2.4-3.8 4.0=100 H GLN 28 - HB3 PHE 51 far 0 100 0 - 8.8-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4224 from cnoeabs.peaks (3.03, 2.97, 38.98 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 51 + HB3 PHE 51 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 49 - HB3 PHE 51 far 0 87 0 - 6.9-13.7 HE3 LYS 49 - HB3 PHE 51 far 0 87 0 - 7.2-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 2.4=100 Violated in 0 structures by 0.00 A. 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 97 100 100 2.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 4248 from cnoeabs.peaks (3.03, 7.12, 131.84 ppm; 5.21 A): 1 out of 3 assignments used, quality = 0.97: * HB2 PHE 51 + QD PHE 51 OK 97 97 100 100 2.3-2.7 2.4=100 HE2 LYS 49 - QD PHE 51 poor 16 81 20 - 4.4-11.5 HE3 LYS 49 - QD PHE 51 far 12 81 15 - 6.0-11.7 Violated in 0 structures by 0.00 A. 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 97 100 100 2.3-2.7 2.4=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 GLU 52 + HA GLU 52 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 49 - HA GLU 52 far 0 100 0 - 8.9-14.7 HB ILE 5 - HA GLU 52 far 0 92 0 - 9.5-13.0 HD3 LYS 49 - HA GLU 52 far 0 100 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 4256 from cnoeabs.peaks (1.95, 4.26, 56.25 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 52 + HA GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 128 - HA GLU 52 far 0 100 0 - 5.9-12.1 HB2 LEU 127 - HA GLU 52 far 0 61 0 - 9.3-14.6 Violated in 0 structures by 0.00 A. Peak 4257 from cnoeabs.peaks (2.10, 4.26, 56.25 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 52 + HA GLU 52 OK 100 100 100 100 2.2-3.9 4.0=99, 1.8/4258=79, 4.9/309=41 HB3 GLU 47 - HA GLU 52 far 0 92 0 - 9.3-16.2 Violated in 0 structures by 0.00 A. Peak 4258 from cnoeabs.peaks (2.04, 4.26, 56.25 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.98: * HG3 GLU 52 + HA GLU 52 OK 98 100 100 98 2.2-3.8 4.0=89, 1.8/4257=71, 313/309=39 HB3 GLU 48 - HA GLU 52 far 5 99 5 - 5.1-14.2 HB2 MET 1 - HA GLU 52 far 4 81 5 - 5.0-10.2 HB2 GLU 48 - HA GLU 52 far 0 99 0 - 5.6-13.4 HB2 GLN 28 - HA GLU 52 far 0 65 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 4259 from cnoeabs.peaks (4.26, 1.66, 33.46 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 52 + HB2 GLU 52 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 46 - HB2 GLU 52 far 0 98 0 - 7.1-15.5 HA GLU 41 - HB2 GLU 52 far 0 99 0 - 7.7-15.7 HA GLU 47 - HB2 GLU 52 far 0 96 0 - 9.4-18.2 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB3 GLU 52 + HB2 GLU 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 - HB2 GLU 52 far 5 100 5 - 4.5-13.2 HB3 GLU 41 - HB2 GLU 52 far 0 100 0 - 8.7-15.7 HB2 LEU 127 - HB2 GLU 52 far 0 61 0 - 8.8-15.4 HB3 MET 42 - HB2 GLU 52 far 0 100 0 - 9.3-17.7 HB3 LYS 40 - HB2 GLU 52 far 0 97 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 4262 from cnoeabs.peaks (2.10, 1.66, 33.46 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 52 + HB2 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 47 - HB2 GLU 52 far 0 92 0 - 8.0-17.6 Violated in 0 structures by 0.00 A. Peak 4263 from cnoeabs.peaks (2.04, 1.66, 33.46 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 52 + HB2 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 48 - HB2 GLU 52 far 5 99 5 - 4.9-16.3 HB2 GLU 48 - HB2 GLU 52 far 5 99 5 - 5.0-15.4 HB2 GLN 28 - HB2 GLU 52 far 0 65 0 - 6.1-9.0 HB2 MET 1 - HB2 GLU 52 far 0 81 0 - 7.1-11.2 HB2 GLU 47 - HB2 GLU 52 far 0 87 0 - 9.6-19.1 Violated in 0 structures by 0.00 A. Peak 4264 from cnoeabs.peaks (4.26, 1.95, 33.46 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 52 + HB3 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 46 - HB3 GLU 52 far 0 98 0 - 7.8-15.1 HA GLU 41 - HB3 GLU 52 far 0 99 0 - 8.2-15.7 Violated in 0 structures by 0.00 A. Peak 4265 from cnoeabs.peaks (1.66, 1.95, 33.46 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 52 + HB3 GLU 52 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 49 - HB3 GLU 52 far 0 100 0 - 7.5-14.8 HD3 LYS 49 - HB3 GLU 52 far 0 100 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 GLU 52 + HB3 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 47 - HB3 GLU 52 far 0 92 0 - 9.6-17.0 Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (2.04, 1.95, 33.46 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 52 + HB3 GLU 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 28 - HB3 GLU 52 far 0 65 0 - 5.7-9.9 HB2 MET 1 - HB3 GLU 52 far 0 81 0 - 6.2-11.4 HB3 GLU 48 - HB3 GLU 52 far 0 99 0 - 6.4-15.8 HB2 GLU 48 - HB3 GLU 52 far 0 99 0 - 6.6-14.9 Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (4.26, 2.10, 36.67 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 52 + HG2 GLU 52 OK 100 100 100 100 2.2-3.9 4.0=100 HA GLU 41 - HG2 GLU 52 far 0 99 0 - 6.5-16.5 HA ALA 46 - HG2 GLU 52 far 0 98 0 - 9.1-15.2 Violated in 0 structures by 0.00 A. Peak 4270 from cnoeabs.peaks (1.66, 2.10, 36.67 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 52 + HG2 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 - HG2 GLU 52 far 0 100 0 - 7.5-15.9 HB2 ARG 30 - HG2 GLU 52 far 0 100 0 - 7.8-16.0 HD3 LYS 49 - HG2 GLU 52 far 0 100 0 - 9.0-15.5 Violated in 0 structures by 0.00 A. Peak 4271 from cnoeabs.peaks (1.95, 2.10, 36.67 ppm; 3.88 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 52 + HG2 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 128 - HG2 GLU 52 far 0 100 0 - 5.4-13.5 HB3 GLU 41 - HG2 GLU 52 far 0 100 0 - 7.1-16.9 HB2 GLU 41 - HG2 GLU 52 far 0 100 0 - 8.6-18.5 HB3 MET 42 - HG2 GLU 52 far 0 100 0 - 8.8-18.6 HB3 LYS 40 - HG2 GLU 52 far 0 97 0 - 9.9-19.3 HB2 LEU 127 - HG2 GLU 52 far 0 61 0 - 10.0-16.2 HB2 LEU 70 - HG2 GLU 52 far 0 92 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG3 GLU 52 + HG2 GLU 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 28 - HG2 GLU 52 far 0 65 0 - 5.3-10.4 HB2 MET 1 - HG2 GLU 52 far 0 81 0 - 5.4-12.5 HB3 GLU 48 - HG2 GLU 52 far 0 99 0 - 7.0-15.3 HB2 GLU 48 - HG2 GLU 52 far 0 99 0 - 7.1-14.2 HB3 MET 67 - HG2 GLU 52 far 0 99 0 - 9.3-20.5 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (4.26, 2.04, 36.67 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 52 + HG3 GLU 52 OK 100 100 100 100 2.2-3.8 4.0=100 HA GLU 41 - HG3 GLU 52 far 0 99 0 - 8.0-16.1 Violated in 0 structures by 0.00 A. Peak 4275 from cnoeabs.peaks (1.66, 2.04, 36.67 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 52 + HG3 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 30 - HG3 GLU 52 far 0 100 0 - 8.5-15.4 HD2 LYS 49 - HG3 GLU 52 far 0 100 0 - 8.9-15.6 Violated in 0 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (1.95, 2.04, 36.67 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 52 + HG3 GLU 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 128 - HG3 GLU 52 far 0 100 0 - 6.2-12.5 HB3 GLU 41 - HG3 GLU 52 far 0 100 0 - 8.7-16.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.9 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4293 from cnoeabs.peaks (1.09, 0.11, 31.45 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.2-3.0 2.8=100 QG2 ILE 3 + HB2 LYS 53 OK 81 92 90 98 2.5-6.9 9004/3.0=44...(14) HG2 LYS 2 - HB2 LYS 53 far 6 61 10 - 5.9-9.7 Violated in 0 structures by 0.00 A. Peak 4294 from cnoeabs.peaks (0.94, 0.11, 31.45 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.3-3.0 2.8=100 QD2 LEU 127 - HB2 LYS 53 far 0 99 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (1.27, 0.11, 31.45 ppm; 6.10 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.3-4.2 3.7=100 HG12 ILE 54 + HB2 LYS 53 OK 31 61 90 57 5.1-7.9 321/4.4=46, 1345/4.0=19 HD2 LYS 2 - HB2 LYS 53 poor 8 97 35 23 5.4-11.4 321/4.4=11, 1345/4.0=8, 4341=4 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (7.96, 1.13, 31.45 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.2-3.7 4.0=100 H GLY 125 - HB3 LYS 53 far 0 84 0 - 7.5-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.3-3.0 2.8=100 QG2 ILE 3 + HB3 LYS 53 OK 54 92 65 90 3.5-7.0 9004/3.0=31, ~9001=30...(12) HG2 LYS 2 - HB3 LYS 53 far 3 61 5 - 4.3-9.7 Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (0.94, 1.13, 31.45 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.3-3.0 2.8=100 QD2 LEU 127 - HB3 LYS 53 far 0 99 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (1.48, 1.13, 31.45 ppm; 5.57 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.0-3.8 3.7=100 HB3 LEU 45 - HB3 LYS 53 far 0 98 0 - 7.5-12.6 HG2 ARG 30 - HB3 LYS 53 far 0 70 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (1.27, 1.13, 31.45 ppm; 4.94 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.2-3.7 3.7=100 HD2 LYS 2 - HB3 LYS 53 far 15 97 15 - 5.4-10.1 HG12 ILE 54 - HB3 LYS 53 poor 12 61 20 - 5.6-7.7 Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (2.63, 1.13, 31.45 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.1-4.8 4.7=100 HG3 MET 121 - HB3 LYS 53 poor 20 100 20 - 6.3-11.1 Violated in 0 structures by 0.00 A. Peak 4309 from cnoeabs.peaks (7.96, 1.09, 24.59 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.2-4.6 4.7=100 H GLY 125 - HG2 LYS 53 far 0 84 0 - 6.8-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 2.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 QD2 LEU 127 - HG2 LYS 53 far 0 99 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 4315 from cnoeabs.peaks (1.48, 1.09, 24.59 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 45 - HG2 LYS 53 far 0 98 0 - 9.1-13.6 HG2 ARG 30 - HG2 LYS 53 far 0 70 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 4316 from cnoeabs.peaks (1.27, 1.09, 24.59 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 54 - HG2 LYS 53 far 0 61 0 - 5.5-8.8 HD2 LYS 2 - HG2 LYS 53 far 0 97 0 - 6.1-12.3 Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (2.63, 1.09, 24.59 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.2-3.9 3.6=100 HG3 MET 121 - HG2 LYS 53 poor 10 100 25 41 6.6-10.6 10575/4594=24, ~11244=21 Violated in 0 structures by 0.00 A. Peak 4318 from cnoeabs.peaks (2.72, 1.09, 24.59 ppm; 5.68 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.1-3.6 3.6=100 HB3 ASN 50 - HG2 LYS 53 far 0 92 0 - 8.1-12.2 HB2 ASN 50 - HG2 LYS 53 far 0 90 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 4319 from cnoeabs.peaks (7.96, 0.94, 24.59 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.6-4.6 4.7=100 H GLY 125 - HG3 LYS 53 poor 17 84 20 - 6.2-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.8=100 Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (1.09, 0.94, 24.59 ppm; 3.27 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 3 + HG3 LYS 53 OK 36 92 50 79 2.5-6.8 2.1/11244=28...(12) HG2 LYS 2 - HG3 LYS 53 far 0 61 0 - 6.5-10.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 30 - HG3 LYS 53 far 0 70 0 - 8.5-12.0 HB3 LEU 45 - HG3 LYS 53 far 0 98 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (1.27, 0.94, 24.59 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 54 - HG3 LYS 53 far 9 61 15 - 5.4-8.2 HD2 LYS 2 - HG3 LYS 53 far 0 97 0 - 6.5-11.3 Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (2.63, 0.94, 24.59 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.5-4.2 3.6=100 HG3 MET 121 - HG3 LYS 53 far 5 100 5 - 5.0-9.8 Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (2.72, 0.94, 24.59 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.3-3.9 3.6=100 HB3 ASN 50 - HG3 LYS 53 far 5 92 5 - 7.5-12.3 HB2 ASN 50 - HG3 LYS 53 far 0 90 0 - 8.3-13.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.2 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 4333 from cnoeabs.peaks (1.09, 1.48, 28.78 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 ILE 3 - HD2 LYS 53 far 9 92 10 - 4.8-7.7 HG2 LYS 2 - HD2 LYS 53 far 0 61 0 - 7.4-11.6 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (0.94, 1.48, 28.78 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 QD2 LEU 127 - HD2 LYS 53 far 0 99 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 54 - HD2 LYS 53 far 0 61 0 - 5.4-9.7 HD2 LYS 2 - HD2 LYS 53 far 0 97 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (2.63, 1.48, 28.78 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 121 - HD2 LYS 53 far 5 100 5 - 5.1-10.6 Violated in 0 structures by 0.00 A. Peak 4338 from cnoeabs.peaks (2.72, 1.48, 28.78 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 50 - HD2 LYS 53 far 0 92 0 - 7.5-12.8 HB2 ASN 50 - HD2 LYS 53 far 0 90 0 - 8.2-14.2 Violated in 0 structures by 0.00 A. Peak 4341 from cnoeabs.peaks (0.11, 1.27, 28.78 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-4.2 3.7=100 HB2 LYS 53 - HD2 LYS 2 lone 4 93 25 18 5.4-11.4 4.4/321=9, 4.0/1345=6, 4296=4 Violated in 0 structures by 0.00 A. Peak 4342 from cnoeabs.peaks (1.13, 1.27, 28.78 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.2-3.7 3.7=100 HB3 LYS 53 - HD2 LYS 2 far 0 93 0 - 5.4-10.1 Violated in 0 structures by 0.00 A. Peak 4343 from cnoeabs.peaks (1.09, 1.27, 28.78 ppm; 3.39 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 2 + HD2 LYS 2 OK 52 52 100 100 2.3-3.0 2.9=100 QG2 ILE 3 - HD3 LYS 53 poor 18 92 20 - 3.8-6.6 QG2 ILE 3 - HD2 LYS 2 far 4 82 5 - 4.8-8.9 HG2 LYS 53 - HD2 LYS 2 far 0 93 0 - 6.1-12.3 HG2 LYS 2 - HD3 LYS 53 far 0 61 0 - 6.4-11.2 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (0.94, 1.27, 28.78 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 53 - HD2 LYS 2 far 0 93 0 - 6.5-11.3 QD2 LEU 127 - HD3 LYS 53 far 0 99 0 - 9.3-12.5 QD2 LEU 127 - HD2 LYS 2 far 0 91 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 4345 from cnoeabs.peaks (1.48, 1.27, 28.78 ppm; 3.02 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 45 - HD2 LYS 2 poor 10 89 25 47 2.4-6.9 3.1/9470=12, 3.1/9470=11...(7) HB2 LEU 74 - HD2 LYS 2 far 0 70 0 - 5.2-9.7 HD2 LYS 53 - HD2 LYS 2 far 0 93 0 - 8.3-12.0 HG2 ARG 30 - HD2 LYS 2 far 0 60 0 - 8.6-13.8 HG3 LYS 73 - HD2 LYS 2 far 0 93 0 - 9.3-16.1 HG2 ARG 30 - HD3 LYS 53 far 0 70 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HE2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 121 - HD3 LYS 53 far 10 100 10 - 5.0-10.7 HE2 LYS 53 - HD2 LYS 2 far 0 93 0 - 7.9-12.0 Violated in 0 structures by 0.00 A. Peak 4348 from cnoeabs.peaks (2.72, 1.27, 28.78 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * HE3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 50 - HD2 LYS 2 poor 16 79 20 - 2.9-12.3 HB3 ASN 50 - HD2 LYS 2 lone 0 82 35 1 2.7-10.9 HE3 LYS 53 - HD2 LYS 2 far 0 93 0 - 7.1-12.9 HB3 ASN 50 - HD3 LYS 53 far 0 92 0 - 8.9-13.0 HB2 ASN 50 - HD3 LYS 53 far 0 90 0 - 9.1-14.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.8 4.7=100 Violated in 0 structures by 0.00 A. Peak 4353 from cnoeabs.peaks (1.09, 2.63, 41.70 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.2-3.9 3.6=100 QG2 ILE 3 + HE2 LYS 53 OK 32 92 45 77 3.3-8.5 9004/5.8=30, 4293/4.7=23...(6) HG2 LYS 2 - HE2 LYS 53 far 0 61 0 - 7.7-11.9 Violated in 0 structures by 0.00 A. Peak 4354 from cnoeabs.peaks (0.94, 2.63, 41.70 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.5-4.2 3.6=100 QD2 LEU 127 - HE2 LYS 53 far 0 99 0 - 7.8-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4356 from cnoeabs.peaks (1.27, 2.63, 41.70 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 54 - HE2 LYS 53 far 3 61 5 - 6.2-11.4 HD2 LYS 2 - HE2 LYS 53 far 0 97 0 - 7.9-12.0 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HE3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 50 - HE2 LYS 53 far 0 92 0 - 9.0-14.1 HB2 ASN 50 - HE2 LYS 53 far 0 90 0 - 9.4-15.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.7 4.7=100 Violated in 0 structures by 0.00 A. Peak 4362 from cnoeabs.peaks (1.13, 2.72, 41.70 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.74: * HB3 LYS 53 + HE3 LYS 53 OK 74 100 100 74 2.0-4.2 4.7=67, 1341/7.0=20, 4303/4363=2 Violated in 3 structures by 0.01 A. Peak 4363 from cnoeabs.peaks (1.09, 2.72, 41.70 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.1-3.6 3.6=100 QG2 ILE 3 - HE3 LYS 53 poor 15 92 30 53 3.8-8.4 9004/5.8=16, 4323/3.6=15...(5) HG2 LYS 2 - HE3 LYS 53 far 0 61 0 - 6.9-11.3 Violated in 0 structures by 0.00 A. Peak 4364 from cnoeabs.peaks (0.94, 2.72, 41.70 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.3-3.9 3.6=100 QD2 LEU 127 - HE3 LYS 53 far 0 99 0 - 8.2-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4366 from cnoeabs.peaks (1.27, 2.72, 41.70 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 54 - HE3 LYS 53 far 3 61 5 - 5.8-10.4 HD2 LYS 2 - HE3 LYS 53 far 0 97 0 - 7.1-12.9 Violated in 0 structures by 0.00 A. Peak 4367 from cnoeabs.peaks (2.63, 2.72, 41.70 ppm; 2.57 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 121 - HE3 LYS 53 far 0 100 0 - 5.9-10.8 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB ILE 54 + HA ILE 54 OK 100 100 100 100 2.9-3.0 3.0=100 HB ILE 56 + HA ILE 54 OK 29 97 30 99 7.0-8.0 ~11708=70, ~11706=44...(13) HD2 LYS 44 - HA ILE 54 far 0 61 0 - 8.0-13.4 Violated in 0 structures by 0.00 A. Peak 4372 from cnoeabs.peaks (0.75, 4.85, 59.26 ppm; 6.20 A): 3 out of 5 assignments used, quality = 1.00: * QG2 ILE 54 + HA ILE 54 OK 100 100 100 100 2.4-2.8 3.2=100 QD2 LEU 55 + HA ILE 54 OK 91 92 100 99 5.4-6.1 4.7/325=92, 3.1/9514=40...(10) QD1 LEU 45 + HA ILE 54 OK 66 96 90 77 5.6-8.1 ~11533=32, 4379/3.0=28...(7) QD2 LEU 6 - HA ILE 54 far 0 90 0 - 7.9-9.3 QG2 VAL 32 - HA ILE 54 far 0 70 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 4373 from cnoeabs.peaks (1.25, 4.85, 59.26 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 54 + HA ILE 54 OK 100 100 100 100 2.0-3.7 4.1=100 HD2 LYS 2 - HA ILE 54 far 4 87 5 - 5.9-10.3 HD3 LYS 53 - HA ILE 54 far 3 61 5 - 5.2-8.1 HG13 ILE 7 - HA ILE 54 far 0 99 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (0.91, 4.85, 59.26 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 54 + HA ILE 54 OK 100 100 100 100 2.4-3.0 4.1=100 QG2 VAL 29 - HA ILE 54 far 0 77 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (0.64, 4.85, 59.26 ppm; 6.07 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + HA ILE 54 OK 100 100 100 100 2.0-3.8 4.2=100 QD1 LEU 4 + HA ILE 54 OK 97 97 100 100 4.1-6.3 10735/3.0=81, ~10734=55...(16) QD1 ILE 5 + HA ILE 54 OK 51 90 85 67 6.1-8.0 ~10802=20, 3.2/2410=19...(7) QG1 VAL 22 - HA ILE 54 poor 20 100 20 - 7.2-8.6 QD1 ILE 71 - HA ILE 54 far 0 61 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 4377 from cnoeabs.peaks (4.85, 1.68, 41.95 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 54 + HB ILE 54 OK 100 100 100 100 2.9-3.0 3.0=100 HA ILE 5 - HB ILE 54 far 0 84 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 54 + HB ILE 54 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 45 + HB ILE 54 OK 38 96 90 44 3.2-5.6 2.1/11533=17...(8) QD2 LEU 55 - HB ILE 54 far 0 92 0 - 6.3-7.8 QD2 LEU 6 - HB ILE 54 far 0 90 0 - 6.7-8.2 QG2 VAL 32 - HB ILE 54 far 0 70 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 4380 from cnoeabs.peaks (1.25, 1.68, 41.95 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 54 + HB ILE 54 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 2 - HB ILE 54 poor 11 87 30 41 3.8-9.6 11235/10735=20...(11) HD3 LYS 53 - HB ILE 54 far 0 61 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 4381 from cnoeabs.peaks (0.91, 1.68, 41.95 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 54 + HB ILE 54 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 VAL 29 - HB ILE 54 far 0 77 0 - 8.0-9.4 QD1 LEU 70 - HB ILE 54 far 0 99 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (0.64, 1.68, 41.95 ppm; 3.32 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + HB ILE 54 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 4 + HB ILE 54 OK 90 97 95 98 2.1-5.0 10735=69, 2.1/10734=41...(20) QD1 ILE 71 - HB ILE 54 far 0 61 0 - 6.1-7.9 QD1 ILE 5 - HB ILE 54 far 0 90 0 - 6.5-9.1 QG1 VAL 22 - HB ILE 54 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 4383 from cnoeabs.peaks (8.80, 0.75, 17.84 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 54 + QG2 ILE 54 OK 100 100 100 100 3.4-3.9 4.0=100 H SER 58 - QG2 ILE 54 far 0 98 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 4384 from cnoeabs.peaks (4.85, 0.75, 17.84 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 54 + QG2 ILE 54 OK 100 100 100 100 2.4-2.8 3.2=100 HA ILE 5 - QG2 ILE 54 far 0 84 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 4385 from cnoeabs.peaks (1.68, 0.75, 17.84 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 54 + QG2 ILE 54 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 56 + QG2 ILE 54 OK 74 97 85 90 4.0-5.4 2.9/11708=46...(12) HD2 LYS 44 - QG2 ILE 54 far 0 61 0 - 4.8-9.1 HG12 ILE 71 - QG2 ILE 54 far 0 87 0 - 7.0-10.4 HD3 LYS 40 - QG2 ILE 54 far 0 100 0 - 9.6-12.2 HD2 LYS 40 - QG2 ILE 54 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG12 ILE 54 + QG2 ILE 54 OK 100 100 100 100 2.4-3.2 3.2=100 HD2 LYS 2 - QG2 ILE 54 far 9 87 10 - 5.0-9.9 HD3 LYS 53 - QG2 ILE 54 far 0 61 0 - 6.9-8.9 HG13 ILE 7 - QG2 ILE 54 far 0 99 0 - 7.5-10.6 Violated in 0 structures by 0.00 A. Peak 4388 from cnoeabs.peaks (0.91, 0.75, 17.84 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 54 + QG2 ILE 54 OK 100 100 100 100 2.6-3.2 3.2=100 QG2 VAL 29 - QG2 ILE 54 far 0 77 0 - 5.0-6.8 QD1 LEU 70 - QG2 ILE 54 far 0 99 0 - 7.4-10.0 QD2 LEU 70 - QG2 ILE 54 far 0 96 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 4389 from cnoeabs.peaks (0.64, 0.75, 17.84 ppm; 2.71 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + QG2 ILE 54 OK 99 100 100 99 1.8-2.0 4407=93, 4406/2.1=47...(13) QD1 LEU 4 + QG2 ILE 54 OK 65 97 85 79 2.9-5.4 10735/2.1=32, ~10734=14...(19) QD1 ILE 71 - QG2 ILE 54 far 0 61 0 - 4.8-7.4 QD1 ILE 5 - QG2 ILE 54 far 0 90 0 - 5.7-7.8 QG1 VAL 22 - QG2 ILE 54 far 0 100 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.4 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.7 4.1=100 Violated in 0 structures by 0.00 A. Peak 4392 from cnoeabs.peaks (1.68, 1.25, 27.42 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 54 + HG12 ILE 54 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 44 - HG12 ILE 54 far 3 61 5 - 4.5-11.5 HB ILE 56 - HG12 ILE 54 far 0 97 0 - 7.7-9.4 HG12 ILE 71 - HG12 ILE 54 far 0 87 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 4393 from cnoeabs.peaks (0.75, 1.25, 27.42 ppm; 3.09 A): 1 out of 5 assignments used, quality = 0.99: * QG2 ILE 54 + HG12 ILE 54 OK 99 100 100 99 2.4-3.2 3.2=91, 4407/2.1=74...(10) QD1 LEU 45 - HG12 ILE 54 poor 15 96 40 38 3.2-7.3 4379/3.0=12, 4400/1.8=11...(7) QD2 LEU 55 - HG12 ILE 54 far 0 92 0 - 7.1-9.0 QD2 LEU 6 - HG12 ILE 54 far 0 90 0 - 8.2-10.3 QG2 VAL 32 - HG12 ILE 54 far 0 70 0 - 8.5-10.3 Violated in 1 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG13 ILE 54 + HG12 ILE 54 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 29 - HG12 ILE 54 far 0 77 0 - 7.0-9.7 Violated in 0 structures by 0.00 A. Peak 4396 from cnoeabs.peaks (0.64, 1.25, 27.42 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + HG12 ILE 54 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 4 + HG12 ILE 54 OK 45 97 50 92 3.6-7.1 10735/3.0=46...(13) QD1 ILE 71 - HG12 ILE 54 far 0 61 0 - 7.4-10.1 QD1 ILE 5 - HG12 ILE 54 far 0 90 0 - 7.6-10.4 QG1 VAL 22 - HG12 ILE 54 far 0 100 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 4398 from cnoeabs.peaks (4.85, 0.91, 27.42 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 54 + HG13 ILE 54 OK 100 100 100 100 2.4-3.0 4.1=100 HA ILE 5 - HG13 ILE 54 far 0 84 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 4399 from cnoeabs.peaks (1.68, 0.91, 27.42 ppm; 4.22 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 54 + HG13 ILE 54 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 96 - HG13 ILE 97 far 0 52 0 - 5.8-8.2 HD3 LYS 96 - HG13 ILE 97 far 0 52 0 - 5.9-8.1 HD2 LYS 44 - HG13 ILE 54 far 0 61 0 - 6.1-11.8 HB ILE 56 - HG13 ILE 54 far 0 97 0 - 7.9-9.4 HG3 ARG 95 - HG13 ILE 97 far 0 48 0 - 8.5-10.8 HG12 ILE 71 - HG13 ILE 97 far 0 39 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 4400 from cnoeabs.peaks (0.75, 0.91, 27.42 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 54 + HG13 ILE 54 OK 100 100 100 100 2.6-3.2 3.2=100 QD1 LEU 45 + HG13 ILE 54 OK 30 96 60 52 4.2-7.0 4379/3.0=19, ~11533=14...(7) QD2 LEU 6 - HG13 ILE 97 far 0 41 0 - 6.7-9.7 QD2 LEU 55 - HG13 ILE 54 far 0 92 0 - 7.5-8.4 QG2 ILE 7 - HG13 ILE 97 far 0 51 0 - 8.6-11.1 QD2 LEU 6 - HG13 ILE 54 far 0 90 0 - 8.7-10.2 QG1 VAL 107 - HG13 ILE 97 far 0 29 0 - 8.8-13.1 QG2 VAL 32 - HG13 ILE 54 far 0 70 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (1.25, 0.91, 27.42 ppm; 3.35 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 54 + HG13 ILE 54 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 2 - HG13 ILE 54 lone 4 87 25 18 3.8-9.6 11235/4403=5, 4380/3.0=4...(7) HD3 LYS 53 - HG13 ILE 54 far 0 61 0 - 6.2-8.7 HG3 LYS 61 - HG13 ILE 97 far 0 46 0 - 7.5-10.3 HG13 ILE 7 - HG13 ILE 97 far 0 50 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 4402 from cnoeabs.peaks (0.91, 0.91, 27.42 ppm; diagonal): 2 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): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 54 + HG13 ILE 54 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 4 + HG13 ILE 54 OK 51 97 60 87 3.6-6.3 10735/3.0=44...(12) QD1 ILE 71 - HG13 ILE 97 far 0 25 0 - 7.0-10.2 QD1 ILE 5 - HG13 ILE 54 far 0 90 0 - 7.7-9.9 QD1 ILE 71 - HG13 ILE 54 far 0 61 0 - 8.2-10.4 QG1 VAL 22 - HG13 ILE 54 far 0 100 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 4404 from cnoeabs.peaks (8.80, 0.64, 13.41 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 54 + QD1 ILE 54 OK 100 100 100 100 4.1-4.8 1353/2.1=71...(11) H ILE 54 - QD1 ILE 5 poor 20 78 40 64 4.8-7.6 10802/2.1=16...(12) H ILE 18 - QD1 ILE 5 far 0 41 0 - 9.1-12.2 H SER 58 - QD1 ILE 5 far 0 74 0 - 9.6-10.8 Violated in 20 structures by 0.22 A. Peak 4405 from cnoeabs.peaks (4.85, 0.64, 13.41 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 54 + QD1 ILE 54 OK 100 100 100 100 2.0-3.8 4.2=83, 3.2/4407=75...(12) HA ILE 5 + QD1 ILE 5 OK 57 59 100 97 2.1-3.9 4.2=84, 3.0/2439=33...(11) HA ILE 54 - QD1 ILE 5 far 0 78 0 - 6.1-8.0 HA ILE 5 - QD1 ILE 54 far 0 84 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (1.68, 0.64, 13.41 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 54 + QD1 ILE 54 OK 100 100 100 100 2.3-3.2 3.2=92, 2.1/4407=75...(11) HD2 LYS 44 - QD1 ILE 54 far 0 61 0 - 4.8-8.6 HB ILE 56 - QD1 ILE 54 far 0 97 0 - 6.0-7.9 HG3 LYS 123 - QD1 ILE 5 far 0 47 0 - 6.4-8.8 HB ILE 56 - QD1 ILE 5 far 0 72 0 - 6.5-7.9 HB ILE 54 - QD1 ILE 5 far 0 78 0 - 6.5-9.1 HG12 ILE 71 - QD1 ILE 5 far 0 62 0 - 7.8-11.1 HD2 LYS 40 - QD1 ILE 54 far 0 100 0 - 9.2-12.5 HG12 ILE 71 - QD1 ILE 54 far 0 87 0 - 9.5-11.7 Violated in 9 structures by 0.03 A. Peak 4407 from cnoeabs.peaks (0.75, 0.64, 13.41 ppm; 2.40 A): 1 out of 13 assignments used, quality = 0.89: * QG2 ILE 54 + QD1 ILE 54 OK 89 100 100 89 1.8-2.0 3.1=46, 2.1/4406=36...(12) QD2 LEU 55 - QD1 ILE 5 far 10 66 15 - 2.8-5.7 QD1 LEU 45 - QD1 ILE 54 poor 6 96 30 22 2.6-5.7 4379/4406=7, 4400/2.1=5...(5) QG2 ILE 54 - QD1 ILE 5 far 0 78 0 - 5.7-7.8 QD2 LEU 6 - QD1 ILE 5 far 0 64 0 - 5.9-7.1 QG2 ILE 7 - QD1 ILE 5 far 0 78 0 - 6.0-7.5 QD2 LEU 55 - QD1 ILE 54 far 0 92 0 - 6.1-7.6 QG2 VAL 32 - QD1 ILE 54 far 0 70 0 - 6.3-7.8 HG13 ILE 18 - QD1 ILE 5 far 0 47 0 - 7.1-9.9 QD2 LEU 6 - QD1 ILE 54 far 0 90 0 - 7.1-8.5 QD1 LEU 45 - QD1 ILE 5 far 0 71 0 - 7.3-9.5 QG1 VAL 107 - QD1 ILE 5 far 0 47 0 - 9.3-11.2 QG2 VAL 32 - QD1 ILE 5 far 0 47 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4408 from cnoeabs.peaks (1.25, 0.64, 13.41 ppm; 3.30 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 54 + QD1 ILE 54 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 2 - QD1 ILE 54 far 9 87 10 - 4.0-9.7 HG13 ILE 7 - QD1 ILE 5 far 0 76 0 - 4.9-6.9 HD3 LYS 53 - QD1 ILE 5 far 0 41 0 - 5.2-8.4 HD2 LYS 2 - QD1 ILE 5 far 0 62 0 - 6.4-10.5 HD3 LYS 53 - QD1 ILE 54 far 0 61 0 - 6.8-9.2 HG12 ILE 54 - QD1 ILE 5 far 0 78 0 - 7.6-10.4 Violated in 0 structures by 0.00 A. Peak 4409 from cnoeabs.peaks (0.91, 0.64, 13.41 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HG13 ILE 54 + QD1 ILE 54 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 29 - QD1 ILE 5 far 0 53 0 - 6.1-9.1 QG2 VAL 29 - QD1 ILE 54 far 0 77 0 - 6.2-7.6 HG13 ILE 54 - QD1 ILE 5 far 0 78 0 - 7.7-9.9 QD2 LEU 70 - QD1 ILE 54 far 0 96 0 - 8.7-11.5 QD1 LEU 70 - QD1 ILE 54 far 0 99 0 - 8.7-11.4 QG1 VAL 104 - QD1 ILE 5 far 0 44 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 LEU 55 + HA LEU 55 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 32 - HA LEU 55 far 0 77 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (1.57, 5.64, 53.50 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 55 + HA LEU 55 OK 100 100 100 100 2.3-3.7 4.3=100 HB VAL 78 - HA LEU 55 far 0 94 0 - 8.8-9.7 HG12 ILE 3 - HA LEU 55 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 4416 from cnoeabs.peaks (0.68, 5.64, 53.50 ppm; 4.10 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 100 100 1.9-3.8 4.0=100 QG2 ILE 56 + HA LEU 55 OK 78 92 100 85 3.4-5.5 4.0/332=61, 2.1/9537=41...(5) QD2 LEU 4 + HA LEU 55 OK 61 98 90 69 3.6-6.1 4440=24, 7314/9525=22...(7) QD2 LEU 114 - HA LEU 55 far 0 81 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4417 from cnoeabs.peaks (0.74, 5.64, 53.50 ppm; 4.00 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 55 + HA LEU 55 OK 100 100 100 100 2.0-3.9 4.0=98, 7574/332=48...(10) QG2 ILE 54 + HA LEU 55 OK 89 92 100 97 3.3-3.7 7565/3.0=58...(15) QD2 LEU 6 - HA LEU 55 poor 13 100 25 51 5.2-6.4 11559/3.6=47, 10738/9525=6 QG2 VAL 78 - HA LEU 55 far 0 90 0 - 5.6-6.8 QG1 VAL 117 - HA LEU 55 far 0 77 0 - 5.7-7.1 QG2 ILE 18 - HA LEU 55 far 0 65 0 - 5.8-7.0 QD1 LEU 45 - HA LEU 55 far 0 65 0 - 6.7-8.9 QD2 LEU 45 - HA LEU 55 far 0 90 0 - 7.1-8.3 QG2 ILE 7 - HA LEU 55 far 0 96 0 - 7.4-8.4 HG13 ILE 18 - HA LEU 55 far 0 97 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.9 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4423 from cnoeabs.peaks (0.68, 1.76, 45.20 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.1-3.2 3.1=100 QG2 ILE 56 - HB2 LEU 55 far 5 92 5 - 5.2-6.6 QD2 LEU 4 - HB2 LEU 55 far 0 98 0 - 5.7-8.1 QD2 LEU 114 - HB2 LEU 55 far 0 81 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 4424 from cnoeabs.peaks (0.74, 1.76, 45.20 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 100 100 1.9-3.2 3.1=100 QG2 ILE 54 + HB2 LEU 55 OK 76 92 100 82 3.6-4.9 7565/1357=38...(8) QG2 ILE 18 - HB2 LEU 55 far 10 65 15 - 4.5-6.3 QG1 VAL 117 - HB2 LEU 55 far 0 77 0 - 5.7-7.4 QD2 LEU 6 - HB2 LEU 55 far 0 100 0 - 7.1-8.3 QG2 ILE 7 - HB2 LEU 55 far 0 96 0 - 7.2-8.5 HG13 ILE 18 - HB2 LEU 55 far 0 97 0 - 7.7-10.5 QG2 VAL 78 - HB2 LEU 55 far 0 90 0 - 8.1-9.4 QD2 LEU 45 - HB2 LEU 55 far 0 90 0 - 8.3-9.6 QD1 LEU 45 - HB2 LEU 55 far 0 65 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 4427 from cnoeabs.peaks (1.76, 1.32, 45.20 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 18 - HB3 LEU 55 far 0 99 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4430 from cnoeabs.peaks (0.68, 1.32, 45.20 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 4 - HB3 LEU 55 far 0 98 0 - 5.3-7.8 QG2 ILE 56 - HB3 LEU 55 far 0 92 0 - 5.5-7.1 QD2 LEU 114 - HB3 LEU 55 far 0 81 0 - 8.7-12.2 Violated in 0 structures by 0.00 A. Peak 4431 from cnoeabs.peaks (0.74, 1.32, 45.20 ppm; 3.48 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 54 + HB3 LEU 55 OK 74 92 100 80 4.2-4.9 7565/3.9=34, 4424/1.8=30...(9) QG2 ILE 18 - HB3 LEU 55 far 3 65 5 - 4.9-6.2 QG1 VAL 117 - HB3 LEU 55 far 0 77 0 - 5.3-6.8 QD2 LEU 6 - HB3 LEU 55 far 0 100 0 - 7.1-8.4 QG2 ILE 7 - HB3 LEU 55 far 0 96 0 - 7.6-8.9 QG2 VAL 78 - HB3 LEU 55 far 0 90 0 - 7.7-8.5 HG13 ILE 18 - HB3 LEU 55 far 0 97 0 - 7.7-10.4 QD1 LEU 45 - HB3 LEU 55 far 0 65 0 - 8.2-10.5 QD2 LEU 45 - HB3 LEU 55 far 0 90 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 4434 from cnoeabs.peaks (1.76, 1.57, 27.37 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 18 - HG LEU 55 far 0 99 0 - 8.0-9.4 HB VAL 32 - HG LEU 55 far 0 77 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 56 - HG LEU 55 far 14 92 15 - 4.9-6.9 QD2 LEU 4 - HG12 ILE 3 far 0 94 0 - 5.5-7.5 QD2 LEU 4 - HG LEU 55 far 0 98 0 - 5.6-8.5 QD2 LEU 114 - HG LEU 55 far 0 81 0 - 7.8-10.7 QD1 LEU 55 - HG12 ILE 3 far 0 97 0 - 8.4-11.2 QG2 ILE 56 - HG12 ILE 3 far 0 87 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 4438 from cnoeabs.peaks (0.74, 1.57, 27.37 ppm; 3.35 A): 1 out of 16 assignments used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 18 - HG LEU 55 lone 8 65 85 15 3.8-5.3 ~11487=7, 11118/11247=4...(5) QG1 VAL 117 - HG LEU 55 lone 2 77 45 5 4.0-6.1 4445/2.1=4 QG2 ILE 54 - HG LEU 55 far 0 92 0 - 4.9-5.8 QG2 ILE 7 - HG LEU 55 far 0 96 0 - 5.5-7.2 QG2 VAL 78 - HG12 ILE 3 far 0 84 0 - 5.5-7.0 QD2 LEU 6 - HG LEU 55 far 0 100 0 - 5.8-8.3 HG13 ILE 18 - HG LEU 55 far 0 97 0 - 6.3-8.7 QG2 VAL 78 - HG LEU 55 far 0 90 0 - 6.7-9.1 QD1 LEU 45 - HG12 ILE 3 far 0 61 0 - 7.1-9.7 QD2 LEU 45 - HG12 ILE 3 far 0 84 0 - 8.3-11.4 QG2 ILE 54 - HG12 ILE 3 far 0 87 0 - 8.6-10.9 QD2 LEU 55 - HG12 ILE 3 far 0 97 0 - 8.9-11.7 QD1 LEU 45 - HG LEU 55 far 0 65 0 - 9.0-10.8 QD2 LEU 45 - HG LEU 55 far 0 90 0 - 9.4-10.9 QD2 LEU 6 - HG12 ILE 3 far 0 97 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 4439 from cnoeabs.peaks (9.10, 0.68, 26.27 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 55 + QD1 LEU 55 OK 100 100 100 100 3.9-4.4 4.7=100 H LEU 55 + QD2 LEU 4 OK 38 55 80 85 4.1-6.5 4.4/11714=35, 1360=33...(9) Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (5.64, 0.68, 26.27 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 55 + QD1 LEU 55 OK 100 100 100 100 1.9-3.8 4.0=100 HA LEU 55 + QD2 LEU 4 OK 35 55 95 66 3.6-6.1 4416=25, 3.0/1360=20...(6) Violated in 0 structures by 0.00 A. Peak 4441 from cnoeabs.peaks (1.76, 0.68, 26.27 ppm; 3.88 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 55 - QD2 LEU 4 far 0 55 0 - 5.7-8.1 HG12 ILE 18 - QD1 LEU 55 far 0 99 0 - 6.1-8.2 HB VAL 32 - QD1 LEU 55 far 0 77 0 - 7.5-11.1 HB2 LEU 68 - QD2 LEU 4 far 0 38 0 - 8.3-11.2 HB VAL 32 - QD2 LEU 4 far 0 36 0 - 8.6-11.4 HB2 LEU 80 - QD1 LEU 55 far 0 96 0 - 8.7-11.6 HB3 LYS 49 - QD2 LEU 4 far 0 52 0 - 8.7-12.8 HG2 LYS 17 - QD1 LEU 55 far 0 98 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 4442 from cnoeabs.peaks (1.32, 0.68, 26.27 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 55 - QD2 LEU 4 far 0 55 0 - 5.3-7.8 Violated in 0 structures by 0.00 A. Peak 4443 from cnoeabs.peaks (1.57, 0.68, 26.27 ppm; 3.77 A): 1 out of 11 assignments used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 78 - QD2 LEU 4 far 2 48 5 - 4.8-7.1 HG2 LYS 44 - QD2 LEU 4 far 2 34 5 - 5.3-10.2 HG12 ILE 3 - QD2 LEU 4 far 0 53 0 - 5.5-7.5 HG LEU 55 - QD2 LEU 4 far 0 55 0 - 5.6-8.5 HB3 LEU 70 - QD2 LEU 4 far 0 54 0 - 6.0-9.8 QB ALA 46 - QD2 LEU 4 far 0 34 0 - 6.4-8.8 HB VAL 78 - QD1 LEU 55 far 0 94 0 - 7.8-10.4 HG12 ILE 3 - QD1 LEU 55 far 0 99 0 - 8.4-11.2 HG2 LYS 123 - QD1 LEU 55 far 0 94 0 - 8.9-13.9 HG12 ILE 116 - QD1 LEU 55 far 0 65 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. 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): 2 out of 21 assignments used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 54 + QD2 LEU 4 OK 26 46 80 70 2.4-4.0 4389/2.1=16, ~10735=13...(21) QG2 VAL 78 - QD2 LEU 4 poor 11 44 65 39 2.3-4.3 10665/1034=14...(7) QG1 VAL 117 - QD1 LEU 55 lone 7 77 95 10 2.5-4.5 10938/10939=5...(3) QG2 ILE 18 - QD1 LEU 55 lone 3 65 65 7 2.9-4.4 ~11487=3, 4438/2.1=2 QD1 LEU 45 - QD2 LEU 4 lone 2 29 95 8 1.8-3.9 4735/4630=4, ~10736=2 QD2 LEU 45 - QD2 LEU 4 lone 2 44 80 6 2.2-4.7 9450/4630=4, ~10736=2 QD2 LEU 6 - QD2 LEU 4 far 0 55 0 - 4.2-6.2 QG2 ILE 7 - QD1 LEU 55 far 0 96 0 - 4.3-5.8 QG2 ILE 54 - QD1 LEU 55 far 0 92 0 - 4.4-5.8 QD2 LEU 6 - QD1 LEU 55 far 0 100 0 - 4.4-7.1 HG13 ILE 18 - QD1 LEU 55 far 0 97 0 - 4.7-7.1 QD2 LEU 55 - QD2 LEU 4 far 0 55 0 - 4.9-8.2 QG2 VAL 78 - QD1 LEU 55 far 0 90 0 - 5.6-8.0 QD1 LEU 45 - QD1 LEU 55 far 0 65 0 - 7.3-9.8 QD2 LEU 45 - QD1 LEU 55 far 0 90 0 - 7.5-9.5 QG1 VAL 117 - QD2 LEU 4 far 0 36 0 - 7.7-9.4 QG2 ILE 18 - QD2 LEU 4 far 0 29 0 - 8.6-10.1 QD1 LEU 63 - QD1 LEU 55 far 0 99 0 - 8.6-11.6 QG2 ILE 7 - QD2 LEU 4 far 0 49 0 - 9.4-10.1 QD1 LEU 63 - QD2 LEU 4 far 0 53 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.6 4.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 4448 from cnoeabs.peaks (1.76, 0.74, 26.63 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 100 100 1.9-3.2 3.1=100 HG12 ILE 18 - QD2 LEU 55 far 0 99 0 - 5.3-7.8 HB VAL 32 - QD2 LEU 55 far 0 77 0 - 8.0-10.1 HG2 LYS 17 - QD2 LEU 55 far 0 98 0 - 8.2-11.7 HB2 LEU 80 - QD2 LEU 55 far 0 96 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 4450 from cnoeabs.peaks (1.57, 0.74, 26.63 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 78 - QD2 LEU 55 far 0 94 0 - 7.7-11.5 HG12 ILE 3 - QD2 LEU 55 far 0 99 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 4451 from cnoeabs.peaks (0.68, 0.74, 26.63 ppm; 2.64 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 55 + QD2 LEU 55 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 56 - QD2 LEU 55 far 5 92 5 - 3.2-6.3 QD2 LEU 4 - QD2 LEU 55 far 0 98 0 - 4.9-8.2 QD2 LEU 114 - QD2 LEU 55 far 0 81 0 - 5.3-8.0 QD1 ILE 116 - QD2 LEU 55 far 0 99 0 - 9.1-10.8 QG2 ILE 97 - QD2 LEU 55 far 0 100 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 54 + HA ILE 56 OK 80 97 85 97 5.9-7.2 ~11355=59, 4.4/9506=44...(8) HG12 ILE 71 - HA ILE 56 far 0 99 0 - 9.0-10.7 HD2 LYS 44 - HA ILE 56 far 0 87 0 - 9.4-13.0 HD3 LYS 44 - HA ILE 56 far 0 81 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 4456 from cnoeabs.peaks (0.69, 5.06, 59.11 ppm; 3.52 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 ILE 57 + HA ILE 56 OK 64 84 95 80 2.8-5.0 4.9/339=33, 2.1/9575=30...(10) QD1 LEU 55 + HA ILE 56 OK 36 92 45 88 3.1-5.9 1365/3.0=28, ~335=26...(13) QD2 LEU 4 - HA ILE 56 far 0 73 0 - 5.2-6.9 QD2 LEU 63 - HA ILE 56 far 0 77 0 - 8.0-10.1 QD2 LEU 81 - HA ILE 56 far 0 87 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 4457 from cnoeabs.peaks (1.43, 5.06, 59.11 ppm; 4.39 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 56 + HA ILE 56 OK 100 100 100 100 3.2-3.7 4.0=100 HB3 LEU 4 - HA ILE 56 far 14 92 15 - 5.4-7.1 HB2 LEU 4 - HA ILE 56 far 0 92 0 - 6.9-8.7 HG3 LYS 44 - HA ILE 56 far 0 90 0 - 8.4-11.6 HB3 LEU 63 - HA ILE 56 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 4458 from cnoeabs.peaks (0.96, 5.06, 59.11 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.6-3.6 4.0=100 QD1 LEU 38 - HA ILE 56 far 0 99 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 4459 from cnoeabs.peaks (0.66, 5.06, 59.11 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 1.8-3.4 4473/3.2=75, 4.2=70...(15) QD2 LEU 4 - HA ILE 56 far 3 70 5 - 5.2-6.9 QD1 LEU 4 - HA ILE 56 far 0 61 0 - 5.2-7.5 QD1 ILE 71 - HA ILE 56 far 0 97 0 - 6.1-7.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 4461 from cnoeabs.peaks (5.06, 1.69, 39.82 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + HB ILE 56 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 29 - HB ILE 56 far 4 81 5 - 6.7-8.1 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * QG2 ILE 56 + HB ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 55 - HB ILE 56 poor 20 92 40 53 3.7-6.9 4.6/1364=25, 4.0/9537=16...(7) QD2 LEU 4 - HB ILE 56 poor 15 73 20 - 4.0-6.2 QD1 ILE 57 - HB ILE 56 far 4 84 5 - 4.6-6.8 QD2 LEU 63 - HB ILE 56 far 0 77 0 - 7.6-9.5 QD2 LEU 81 - HB ILE 56 far 0 87 0 - 8.2-10.7 QG2 ILE 97 - HB ILE 56 far 0 87 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 4464 from cnoeabs.peaks (1.43, 1.69, 39.82 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 100 100 2.3-2.4 2.9=100 HB3 LEU 4 + HB ILE 56 OK 76 92 100 83 3.9-5.5 1366/1364=21...(24) HB2 LEU 4 - HB ILE 56 poor 18 92 20 - 4.8-6.9 HB3 LEU 63 - HB ILE 56 far 0 100 0 - 7.6-8.9 HG LEU 80 - HB ILE 56 far 0 81 0 - 8.9-11.5 HG3 LYS 44 - HB ILE 56 far 0 90 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 4465 from cnoeabs.peaks (0.96, 1.69, 39.82 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 2.6-2.7 2.9=100 QD1 LEU 38 - HB ILE 56 far 0 99 0 - 6.5-7.7 QD1 ILE 3 - HB ILE 56 far 0 90 0 - 9.3-11.2 HD3 LYS 2 - HB ILE 56 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 4466 from cnoeabs.peaks (0.66, 1.69, 39.82 ppm; 3.21 A): 1 out of 4 assignments used, quality = 0.99: * QD1 ILE 56 + HB ILE 56 OK 99 100 100 99 3.2-3.2 3.2=99 QD2 LEU 4 - HB ILE 56 poor 14 70 20 - 4.0-6.2 QD1 ILE 71 - HB ILE 56 poor 13 97 55 24 3.9-5.9 5108=13, 4487/2.9=7...(4) QD1 LEU 4 - HB ILE 56 poor 12 61 20 - 4.0-6.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 4468 from cnoeabs.peaks (5.06, 0.69, 17.09 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.3-3.2 3.2=100 HA VAL 29 - QG2 ILE 56 far 0 81 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 4469 from cnoeabs.peaks (1.69, 0.69, 17.09 ppm; 3.30 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 54 - QG2 ILE 56 far 5 97 5 - 4.7-7.4 HG12 ILE 71 - QG2 ILE 56 far 0 99 0 - 5.9-7.5 HD3 LYS 44 - QG2 ILE 56 far 0 81 0 - 7.8-11.4 HD3 LYS 40 - QG2 ILE 56 far 0 96 0 - 8.2-12.0 HD2 LYS 44 - QG2 ILE 56 far 0 87 0 - 8.3-11.0 HD2 LYS 39 - QG2 ILE 56 far 0 70 0 - 8.6-12.8 HG3 LYS 39 - QG2 ILE 56 far 0 92 0 - 8.7-11.0 HG LEU 74 - QG2 ILE 56 far 0 77 0 - 8.9-11.7 HD2 LYS 40 - QG2 ILE 56 far 0 97 0 - 9.0-11.9 HD3 LYS 39 - QG2 ILE 56 far 0 73 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG12 ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.5-3.2 3.2=100 HB3 LEU 4 - QG2 ILE 56 far 14 92 15 - 2.3-6.4 HB3 LEU 63 - QG2 ILE 56 poor 13 100 40 33 4.7-7.7 9721/10946=26...(3) HB2 LEU 4 - QG2 ILE 56 far 5 92 5 - 3.6-7.5 HG3 LYS 44 - QG2 ILE 56 far 0 90 0 - 6.8-9.7 HG LEU 80 - QG2 ILE 56 far 0 81 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 4472 from cnoeabs.peaks (0.96, 0.69, 17.09 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 38 + QG2 ILE 56 OK 28 99 95 29 4.2-6.5 ~9548=14, 10995/10946=14 HD3 LYS 2 - QG2 ILE 56 far 0 100 0 - 7.3-12.3 QD1 ILE 3 - QG2 ILE 56 far 0 90 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 4473 from cnoeabs.peaks (0.66, 0.69, 17.09 ppm; 2.40 A): 1 out of 5 assignments used, quality = 0.98: * QD1 ILE 56 + QG2 ILE 56 OK 98 100 100 98 1.9-2.4 4491=88, 4466/2.1=31...(12) QD1 ILE 71 - QG2 ILE 56 far 10 97 10 - 3.6-5.2 QD2 LEU 4 - QG2 ILE 56 far 3 70 5 - 2.8-6.5 QD1 LEU 4 - QG2 ILE 56 far 3 61 5 - 2.8-6.9 QD2 LEU 114 - QG2 ILE 56 far 0 94 0 - 9.9-11.9 Violated in 12 structures by 0.01 A. 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 100 100 100 100 2.8-4.9 4.6=100 Violated in 1 structures by 0.00 A. Peak 4475 from cnoeabs.peaks (5.06, 1.43, 27.65 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + HG12 ILE 56 OK 100 100 100 100 3.2-3.7 4.0=100 HA VAL 29 - HG12 ILE 56 far 0 81 0 - 6.4-8.8 Violated in 0 structures by 0.00 A. Peak 4476 from cnoeabs.peaks (1.69, 1.43, 27.65 ppm; 3.67 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.3-2.4 2.9=100 HB ILE 54 + HG12 ILE 56 OK 82 97 90 93 4.4-7.6 2.1/11706=48, ~11708=45...(11) HG12 ILE 71 - HG12 ILE 56 far 0 99 0 - 6.1-8.2 HD2 LYS 44 - HG12 ILE 56 far 0 87 0 - 8.4-12.0 HD3 LYS 44 - HG12 ILE 56 far 0 81 0 - 8.9-12.6 HG LEU 74 - HG12 ILE 56 far 0 77 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 4477 from cnoeabs.peaks (0.69, 1.43, 27.65 ppm; 3.01 A): 2 out of 6 assignments used, quality = 0.99: * QG2 ILE 56 + HG12 ILE 56 OK 99 100 100 99 2.5-3.2 3.2=83, 4473/2.1=77...(9) QD2 LEU 4 + HG12 ILE 56 OK 41 73 90 62 2.6-5.6 4484/1.8=14, 4491/2.1=9...(19) QD1 LEU 55 - HG12 ILE 56 far 0 92 0 - 4.5-8.2 QD1 ILE 57 - HG12 ILE 56 far 0 84 0 - 5.3-7.5 QD2 LEU 63 - HG12 ILE 56 far 0 77 0 - 7.7-9.8 QD2 LEU 81 - HG12 ILE 56 far 0 87 0 - 9.9-10.8 Violated in 4 structures by 0.01 A. 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 4 assignments used, quality = 1.00: * HG13 ILE 56 + HG12 ILE 56 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 38 - HG12 ILE 56 far 0 99 0 - 5.8-8.4 HD3 LYS 2 - HG12 ILE 56 far 0 100 0 - 7.6-11.2 QD1 ILE 3 - HG12 ILE 56 far 0 90 0 - 8.7-12.2 Violated in 0 structures by 0.00 A. Peak 4480 from cnoeabs.peaks (0.66, 1.43, 27.65 ppm; 2.99 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 4 + HG12 ILE 56 OK 33 70 90 52 2.6-5.6 4487/1.8=10, 2397=8...(17) QD1 LEU 4 - HG12 ILE 56 poor 13 61 35 59 2.4-5.2 2.1/4477=18, ~4484=7...(19) QD1 ILE 71 - HG12 ILE 56 lone 6 97 35 18 3.4-5.2 4487/1.8=8, 5108/2.9=7, 9777=3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 4482 from cnoeabs.peaks (5.06, 0.96, 27.65 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.6-3.6 4.0=100 HA VAL 29 - HG13 ILE 56 far 0 81 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 4483 from cnoeabs.peaks (1.69, 0.96, 27.65 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.6-2.7 2.9=100 HB ILE 54 - HG13 ILE 56 far 0 97 0 - 5.6-7.9 HG12 ILE 71 - HG13 ILE 56 far 0 99 0 - 5.6-9.3 HD3 LYS 44 - HG13 ILE 56 far 0 81 0 - 8.1-12.6 HD2 LYS 44 - HG13 ILE 56 far 0 87 0 - 8.3-11.3 HG LEU 74 - HG13 ILE 56 far 0 77 0 - 8.7-12.7 HD3 LYS 40 - HG13 ILE 56 far 0 96 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 4484 from cnoeabs.peaks (0.69, 0.96, 27.65 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 4 + HG13 ILE 56 OK 30 73 60 69 3.0-6.2 4477/1.8=23, 4491/2.1=10...(19) QD1 ILE 57 - HG13 ILE 56 far 0 84 0 - 4.8-7.8 QD1 LEU 55 - HG13 ILE 56 far 0 92 0 - 5.6-8.1 QD2 LEU 63 - HG13 ILE 56 far 0 77 0 - 6.8-8.4 QD2 LEU 81 - HG13 ILE 56 far 0 87 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 4485 from cnoeabs.peaks (1.43, 0.96, 27.65 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 56 + HG13 ILE 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 4 - HG13 ILE 56 poor 18 92 30 67 4.3-6.5 4492/2.1=15, 4464/2.9=15...(20) HB2 LEU 4 - HG13 ILE 56 far 0 92 0 - 5.1-7.9 HG3 LYS 44 - HG13 ILE 56 far 0 90 0 - 6.7-10.1 HB3 LEU 63 - HG13 ILE 56 far 0 100 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 4 + HG13 ILE 56 OK 24 70 60 57 3.0-6.2 4480/1.8=16, 3.1/4485=8...(18) QD1 ILE 71 - HG13 ILE 56 poor 19 97 60 33 3.5-6.5 11630/11532=8...(7) QD1 LEU 4 - HG13 ILE 56 poor 18 61 30 - 3.2-6.3 Violated in 0 structures by 0.00 A. Peak 4489 from cnoeabs.peaks (5.06, 0.66, 12.57 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 100 100 1.8-3.4 4.2=100 HA VAL 29 + QD1 ILE 56 OK 49 81 95 64 4.3-7.3 3.6/11360=46...(6) Violated in 0 structures by 0.00 A. Peak 4490 from cnoeabs.peaks (1.69, 0.66, 12.57 ppm; 3.52 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 100 100 3.2-3.2 3.2=100 HB ILE 54 + QD1 ILE 56 OK 82 97 95 89 3.4-7.3 2.1/11707=43, ~11708=37...(12) HD2 LYS 44 - QD1 ILE 56 far 0 87 0 - 5.9-11.0 HG12 ILE 71 - QD1 ILE 56 far 0 99 0 - 6.3-8.3 HD3 LYS 44 - QD1 ILE 56 far 0 81 0 - 6.4-12.0 HD3 LYS 40 - QD1 ILE 56 far 0 96 0 - 7.9-11.7 HG LEU 74 - QD1 ILE 56 far 0 77 0 - 8.2-11.2 HD2 LYS 40 - QD1 ILE 56 far 0 97 0 - 8.9-11.9 HG3 LYS 39 - QD1 ILE 56 far 0 92 0 - 9.2-11.4 HD2 LYS 39 - QD1 ILE 56 far 0 70 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 4491 from cnoeabs.peaks (0.69, 0.66, 12.57 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 56 + QD1 ILE 56 OK 100 100 100 100 1.9-2.4 4473=100, 2.1/4466=31...(12) QD2 LEU 4 - QD1 ILE 56 poor 13 73 45 41 3.2-5.3 4477/2.1=11, 4484/2.1=8...(13) QD1 ILE 57 - QD1 ILE 56 far 4 84 5 - 3.7-5.6 QD1 LEU 55 - QD1 ILE 56 far 0 92 0 - 3.9-6.1 QD2 LEU 63 - QD1 ILE 56 far 0 77 0 - 6.6-7.9 QD2 LEU 81 - QD1 ILE 56 far 0 87 0 - 7.2-9.8 QG2 ILE 97 - QD1 ILE 56 far 0 87 0 - 7.7-11.1 Violated in 12 structures by 0.01 A. Peak 4492 from cnoeabs.peaks (1.43, 0.66, 12.57 ppm; 3.25 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 4 + QD1 ILE 56 OK 36 92 55 70 3.9-5.4 4464/3.2=16...(22) HG3 LYS 44 - QD1 ILE 56 far 0 90 0 - 5.0-9.7 HB2 LEU 4 - QD1 ILE 56 far 0 92 0 - 5.1-6.6 HB3 LEU 63 - QD1 ILE 56 far 0 100 0 - 5.4-8.2 HG LEU 80 - QD1 ILE 56 far 0 81 0 - 6.9-12.6 QB ALA 113 - QD1 ILE 56 far 0 70 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4493 from cnoeabs.peaks (0.96, 0.66, 12.57 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 38 - QD1 ILE 56 far 0 99 0 - 5.2-7.0 HD3 LYS 2 - QD1 ILE 56 far 0 100 0 - 6.9-10.4 QD1 ILE 3 - QD1 ILE 56 far 0 90 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB ILE 57 + HA ILE 57 OK 100 100 100 100 2.7-3.0 3.0=100 HB ILE 18 - HA ILE 57 far 0 100 0 - 6.7-7.8 HB2 LEU 14 - HA ILE 57 far 0 100 0 - 8.0-10.1 QE MET 121 - HA ILE 57 far 0 97 0 - 8.5-12.9 HG12 ILE 5 - HA ILE 57 far 0 73 0 - 8.6-10.5 HB3 LYS 19 - HA ILE 57 far 0 90 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 4498 from cnoeabs.peaks (0.84, 4.91, 59.26 ppm; 4.10 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 57 + HA ILE 57 OK 100 100 100 100 2.0-2.4 3.2=100 HG13 ILE 57 + HA ILE 57 OK 61 61 100 100 2.5-4.2 4.2=96, ~1373=44...(21) QG2 ILE 15 + HA ILE 57 OK 55 97 80 71 4.5-6.0 4505/3.0=24, ~11687=18...(9) QG2 ILE 5 - HA ILE 57 far 0 100 0 - 5.9-7.4 QG2 VAL 22 - HA ILE 57 far 0 81 0 - 6.9-9.3 QD2 LEU 82 - HA ILE 57 far 0 77 0 - 7.6-10.5 QD1 LEU 14 - HA ILE 57 far 0 61 0 - 8.3-9.9 HG13 ILE 5 - HA ILE 57 far 0 98 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 4499 from cnoeabs.peaks (1.46, 4.91, 59.26 ppm; 4.40 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 57 + HA ILE 57 OK 100 100 100 100 2.5-3.7 4.2=100 HG12 ILE 7 + HA ILE 57 OK 27 100 35 77 5.0-6.9 3.0/9080=49...(4) HB3 LEU 6 - HA ILE 57 far 0 100 0 - 6.2-7.7 HG3 ARG 30 - HA ILE 57 far 0 96 0 - 7.3-9.4 HB3 LEU 38 - HA ILE 57 far 0 100 0 - 8.0-9.7 HG LEU 80 - HA ILE 57 far 0 61 0 - 8.1-11.8 HG LEU 4 - HA ILE 57 far 0 94 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 4500 from cnoeabs.peaks (0.86, 4.91, 59.26 ppm; 4.54 A): 4 out of 10 assignments used, quality = 1.00: * HG13 ILE 57 + HA ILE 57 OK 100 100 100 100 2.5-4.2 4.2=100 QG2 ILE 15 + HA ILE 57 OK 65 87 100 75 4.5-6.0 4507/3.0=24, ~11687=23...(9) QG2 ILE 57 + HA ILE 57 OK 61 61 100 100 2.0-2.4 3.2=100 QG2 THR 9 + HA ILE 57 OK 44 99 100 44 4.6-5.7 9115/9080=41...(3) QG2 ILE 5 - HA ILE 57 far 7 65 10 - 5.9-7.4 QG1 VAL 32 - HA ILE 57 far 0 96 0 - 6.6-7.4 QG2 VAL 22 - HA ILE 57 far 0 99 0 - 6.9-9.3 QG2 VAL 117 - HA ILE 57 far 0 98 0 - 7.3-8.5 QD1 LEU 14 - HA ILE 57 far 0 100 0 - 8.3-9.9 HG13 ILE 5 - HA ILE 57 far 0 84 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 4501 from cnoeabs.peaks (0.71, 4.91, 59.26 ppm; 3.89 A): 3 out of 8 assignments used, quality = 1.00: * QD1 ILE 57 + HA ILE 57 OK 100 100 100 100 3.1-4.2 4.2=81, 4515/3.2=57...(15) QG2 ILE 56 + HA ILE 57 OK 81 84 100 97 3.3-4.2 7577/3.0=47, ~344=28...(14) QD1 LEU 6 + HA ILE 57 OK 43 96 100 45 2.8-4.3 28/9078=37, 351/346=12 QG2 ILE 18 - HA ILE 57 poor 7 90 25 32 5.1-6.9 4515/3.2=17, ~4511=8...(6) QD2 LEU 81 - HA ILE 57 far 0 100 0 - 6.1-7.2 QG1 VAL 117 - HA ILE 57 far 0 81 0 - 6.4-7.7 QD2 LEU 63 - HA ILE 57 far 0 100 0 - 7.7-9.1 QG2 VAL 78 - HA ILE 57 far 0 65 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (8.54, 1.82, 38.95 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + HB ILE 57 OK 100 100 100 100 2.8-3.7 1371=100, 1373/2.9=62...(12) H LYS 19 - HB ILE 57 far 0 94 0 - 6.9-8.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 7 assignments used, quality = 1.00: * QG2 ILE 57 + HB ILE 57 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 15 + HB ILE 57 OK 76 97 100 79 2.7-4.3 ~9556=20, 4533/3.2=16...(15) HG13 ILE 57 + HB ILE 57 OK 61 61 100 100 2.3-3.0 2.9=100 QG2 VAL 22 - HB ILE 57 far 0 81 0 - 6.6-9.1 QG2 ILE 5 - HB ILE 57 far 0 100 0 - 7.6-9.3 QD1 LEU 14 - HB ILE 57 far 0 61 0 - 7.9-10.4 QD2 LEU 82 - HB ILE 57 far 0 77 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 4506 from cnoeabs.peaks (1.46, 1.82, 38.95 ppm; 4.07 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 57 + HB ILE 57 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 ARG 30 - HB ILE 57 far 0 96 0 - 6.3-9.7 HG12 ILE 7 - HB ILE 57 far 0 100 0 - 6.6-9.1 HB3 LEU 38 - HB ILE 57 far 0 100 0 - 8.6-10.3 HB3 LEU 6 - HB ILE 57 far 0 100 0 - 8.6-10.6 HG LEU 80 - HB ILE 57 far 0 61 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 4507 from cnoeabs.peaks (0.86, 1.82, 38.95 ppm; 3.45 A): 3 out of 9 assignments used, quality = 1.00: * HG13 ILE 57 + HB ILE 57 OK 100 100 100 100 2.3-3.0 2.9=100 QG2 ILE 15 + HB ILE 57 OK 68 87 100 78 2.7-4.3 ~9556=23, 4535/3.2=15...(14) QG2 ILE 57 + HB ILE 57 OK 61 61 100 100 2.1-2.1 2.1=100 QG2 THR 9 - HB ILE 57 poor 20 99 20 - 3.8-6.7 QG1 VAL 32 - HB ILE 57 far 0 96 0 - 6.2-7.6 QG2 VAL 22 - HB ILE 57 far 0 99 0 - 6.6-9.1 QG2 ILE 5 - HB ILE 57 far 0 65 0 - 7.6-9.3 QG2 VAL 117 - HB ILE 57 far 0 98 0 - 7.7-9.9 QD1 LEU 14 - HB ILE 57 far 0 100 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 4508 from cnoeabs.peaks (0.71, 1.82, 38.95 ppm; 3.68 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 57 + HB ILE 57 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 ILE 56 + HB ILE 57 OK 70 84 95 88 4.4-6.2 4.4/1371=41...(13) QG2 ILE 18 - HB ILE 57 far 9 90 10 - 4.4-7.5 QD1 LEU 6 - HB ILE 57 far 5 96 5 - 5.0-6.6 QD2 LEU 81 - HB ILE 57 far 0 100 0 - 6.9-9.1 QG1 VAL 117 - HB ILE 57 far 0 81 0 - 7.0-9.2 QD2 LEU 63 - HB ILE 57 far 0 100 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 4509 from cnoeabs.peaks (8.54, 0.84, 17.77 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 57 + QG2 ILE 57 OK 100 100 100 100 3.6-4.0 4.0=100 H LYS 19 + QG2 ILE 57 OK 70 94 90 83 4.8-6.5 4530/3.0=30, ~9560=22...(13) Violated in 0 structures by 0.00 A. Peak 4510 from cnoeabs.peaks (4.91, 0.84, 17.77 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 57 + QG2 ILE 57 OK 100 100 100 100 2.0-2.4 3.2=100 HA LEU 82 - QG2 ILE 57 far 0 100 0 - 6.7-9.2 Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (1.82, 0.84, 17.77 ppm; 3.17 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 57 + QG2 ILE 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 18 + QG2 ILE 57 OK 31 100 65 48 3.5-5.1 2.1/4515=17...(7) HB2 LEU 14 - QG2 ILE 57 far 0 100 0 - 5.0-6.6 HB3 LYS 19 - QG2 ILE 57 far 0 90 0 - 5.2-7.3 QE MET 121 - QG2 ILE 57 far 0 97 0 - 5.7-11.6 HG12 ILE 5 - QG2 ILE 57 far 0 73 0 - 6.7-10.4 HB3 ARG 105 - QG2 ILE 57 far 0 97 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 1.00: * HG12 ILE 57 + QG2 ILE 57 OK 100 100 100 100 2.3-3.2 3.2=100 HG12 ILE 7 + QG2 ILE 57 OK 26 100 50 52 3.9-6.2 ~9080=16, 2507/10672=11...(11) HB3 LEU 6 - QG2 ILE 57 far 0 100 0 - 6.0-8.6 HG3 ARG 30 - QG2 ILE 57 far 0 96 0 - 6.3-8.4 HG LEU 80 - QG2 ILE 57 far 0 61 0 - 7.1-11.6 HB3 LEU 38 - QG2 ILE 57 far 0 100 0 - 8.3-9.7 HG LEU 4 - QG2 ILE 57 far 0 94 0 - 8.4-12.6 HG3 LYS 20 - QG2 ILE 57 far 0 73 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 0.97: * QD1 ILE 57 + QG2 ILE 57 OK 95 100 100 95 1.9-3.0 3.0=77, 2.1/4519=34...(22) QG2 ILE 18 + QG2 ILE 57 OK 28 90 85 37 2.4-5.0 2.1/4511=12, 3.7/4509=8...(9) QD1 LEU 6 - QG2 ILE 57 poor 19 96 20 - 3.6-5.4 QG1 VAL 117 - QG2 ILE 57 far 8 81 10 - 4.2-6.9 QG2 ILE 56 - QG2 ILE 57 far 4 84 5 - 4.3-4.6 QD2 LEU 81 - QG2 ILE 57 far 0 100 0 - 4.3-6.3 QD2 LEU 63 - QG2 ILE 57 far 0 100 0 - 7.2-9.3 QG2 VAL 78 - QG2 ILE 57 far 0 65 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 4516 from cnoeabs.peaks (8.54, 1.46, 27.65 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + HG12 ILE 57 OK 100 100 100 100 2.0-3.8 1373=100, 1371/2.9=74...(12) H LYS 19 - HG12 ILE 57 far 0 94 0 - 6.2-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.7 4.2=100 Violated in 0 structures by 0.00 A. Peak 4518 from cnoeabs.peaks (1.82, 1.46, 27.65 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 57 + HG12 ILE 57 OK 100 100 100 100 2.5-3.0 2.9=100 HB ILE 18 - HG12 ILE 57 far 0 100 0 - 5.3-7.9 HB3 LYS 19 - HG12 ILE 57 far 0 90 0 - 7.0-8.8 QE MET 121 - HG12 ILE 57 far 0 97 0 - 7.1-13.3 HG12 ILE 5 - HG12 ILE 57 far 0 73 0 - 7.9-10.3 HB2 LEU 14 - HG12 ILE 57 far 0 100 0 - 8.0-10.9 Violated in 0 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (0.84, 1.46, 27.65 ppm; 2.83 A): 2 out of 8 assignments used, quality = 0.97: * QG2 ILE 57 + HG12 ILE 57 OK 93 100 100 93 2.3-3.2 3.2=69, 4515/2.1=47...(13) HG13 ILE 57 + HG12 ILE 57 OK 61 61 100 100 1.8-1.8 1.8=100 QG2 ILE 15 - HG12 ILE 57 poor 19 97 20 - 3.6-5.5 QG2 VAL 22 - HG12 ILE 57 far 0 81 0 - 4.8-7.7 QG2 ILE 5 - HG12 ILE 57 far 0 100 0 - 5.3-8.8 HG13 ILE 5 - HG12 ILE 57 far 0 98 0 - 7.9-10.8 QD1 LEU 14 - HG12 ILE 57 far 0 61 0 - 8.0-10.5 QD2 LEU 82 - HG12 ILE 57 far 0 77 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. 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): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 57 + HG12 ILE 57 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 57 + HG12 ILE 57 OK 54 61 100 88 2.3-3.2 3.2=68, 4515/2.1=24...(10) QG2 ILE 15 - HG12 ILE 57 poor 17 87 20 - 3.6-5.5 QG2 VAL 22 - HG12 ILE 57 far 0 99 0 - 4.8-7.7 QG2 ILE 5 - HG12 ILE 57 far 0 65 0 - 5.3-8.8 QG2 THR 9 - HG12 ILE 57 far 0 99 0 - 5.5-7.3 QG1 VAL 32 - HG12 ILE 57 far 0 96 0 - 6.6-9.0 QG2 VAL 117 - HG12 ILE 57 far 0 98 0 - 6.7-9.2 HG13 ILE 5 - HG12 ILE 57 far 0 84 0 - 7.9-10.8 QD1 LEU 14 - HG12 ILE 57 far 0 100 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (0.71, 1.46, 27.65 ppm; 2.78 A): 2 out of 9 assignments used, quality = 1.00: * QD1 ILE 57 + HG12 ILE 57 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 56 + HG12 ILE 57 OK 26 84 50 63 3.9-5.0 4.4/1373=20, 3.2/9575=14...(12) QG2 ILE 18 - HG12 ILE 57 poor 6 90 30 23 3.6-7.3 4515/3.2=9, ~4532=6...(5) QD1 LEU 6 - HG12 ILE 57 far 0 96 0 - 4.8-7.1 QG1 VAL 117 - HG12 ILE 57 far 0 81 0 - 5.7-8.3 QD2 LEU 81 - HG12 ILE 57 far 0 100 0 - 6.2-8.5 QD2 LEU 63 - HG12 ILE 57 far 0 100 0 - 8.7-10.9 QG2 VAL 78 - HG12 ILE 57 far 0 65 0 - 9.1-10.9 QD2 LEU 45 - HG12 ILE 57 far 0 65 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 4523 from cnoeabs.peaks (8.54, 0.86, 27.65 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 57 + HG13 ILE 57 OK 100 100 100 100 2.5-4.2 4.6=100 H LYS 19 - HG13 ILE 57 poor 19 94 25 80 6.1-7.7 4530/2.1=42, ~9560=34...(6) H ILE 57 - HG13 ILE 5 far 0 68 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 4524 from cnoeabs.peaks (4.91, 0.86, 27.65 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 57 + HG13 ILE 57 OK 100 100 100 100 2.5-4.2 4.2=100 HA ILE 57 - HG13 ILE 5 far 0 68 0 - 8.9-10.4 HA LEU 82 - HG13 ILE 57 far 0 100 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 4525 from cnoeabs.peaks (1.82, 0.86, 27.65 ppm; 3.52 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 57 + HG13 ILE 57 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 5 + HG13 ILE 5 OK 43 43 100 100 1.8-1.8 1.8=100 QE MET 121 - HG13 ILE 5 poor 17 63 35 77 2.9-6.5 10602/2.1=22, ~10592=21...(13) HB ILE 18 - HG13 ILE 57 far 5 100 5 - 5.0-7.8 HB ILE 3 - HG13 ILE 5 far 0 40 0 - 5.0-7.1 HB3 LYS 19 - HG13 ILE 57 far 0 90 0 - 6.0-8.0 HB2 LEU 14 - HG13 ILE 57 far 0 100 0 - 7.0-11.2 QE MET 121 - HG13 ILE 57 far 0 97 0 - 7.3-11.9 HB3 LYS 77 - HG13 ILE 5 far 0 37 0 - 7.4-9.8 HG12 ILE 5 - HG13 ILE 57 far 0 73 0 - 7.8-10.7 HB ILE 18 - HG13 ILE 5 far 0 68 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * HG12 ILE 57 + HG13 ILE 57 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 7 - HG13 ILE 57 far 5 100 5 - 4.4-8.6 HG3 ARG 30 - HG13 ILE 57 far 0 96 0 - 5.2-8.5 HG LEU 4 - HG13 ILE 5 far 0 59 0 - 5.5-8.2 HG12 ILE 7 - HG13 ILE 5 far 0 68 0 - 6.2-7.8 HB3 LEU 6 - HG13 ILE 5 far 0 68 0 - 7.6-8.5 HG12 ILE 57 - HG13 ILE 5 far 0 68 0 - 7.9-10.8 HB3 LEU 6 - HG13 ILE 57 far 0 100 0 - 8.0-10.8 HG3 ARG 30 - HG13 ILE 5 far 0 61 0 - 8.5-13.8 HG LEU 4 - HG13 ILE 57 far 0 94 0 - 8.8-12.1 HB3 LEU 38 - HG13 ILE 57 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. 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): 2 out of 17 assignments used, quality = 1.00: * QD1 ILE 57 + HG13 ILE 57 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 56 + HG13 ILE 57 OK 37 84 60 74 4.1-5.8 7577/4.6=22, 4508/2.9=19...(11) QG1 VAL 117 - HG13 ILE 5 poor 20 48 70 59 3.4-5.6 10510/1.8=15...(12) QG2 ILE 18 - HG13 ILE 57 poor 14 90 45 36 3.3-6.3 4515/3.2=13, ~4532=8...(6) QD1 LEU 6 - HG13 ILE 57 far 0 96 0 - 5.0-7.8 QG2 VAL 78 - HG13 ILE 5 far 0 37 0 - 5.0-7.0 QG1 VAL 117 - HG13 ILE 57 far 0 81 0 - 5.7-8.0 QD2 LEU 81 - HG13 ILE 57 far 0 100 0 - 5.8-8.6 QG2 ILE 56 - HG13 ILE 5 far 0 50 0 - 5.9-9.1 QG2 ILE 18 - HG13 ILE 5 far 0 55 0 - 6.0-8.2 QD1 ILE 57 - HG13 ILE 5 far 0 68 0 - 6.6-9.3 QD2 LEU 81 - HG13 ILE 5 far 0 68 0 - 6.8-8.4 QD1 LEU 6 - HG13 ILE 5 far 0 61 0 - 7.4-8.2 QG2 VAL 78 - HG13 ILE 57 far 0 65 0 - 8.9-11.0 QD2 LEU 45 - HG13 ILE 5 far 0 37 0 - 9.4-11.5 QD2 LEU 63 - HG13 ILE 57 far 0 100 0 - 9.5-11.5 QD2 LEU 45 - HG13 ILE 57 far 0 65 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4530 from cnoeabs.peaks (8.54, 0.71, 13.94 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 57 + QD1 ILE 57 OK 100 100 100 100 2.7-4.3 1373/2.1=84, 1371/3.2=72...(14) H LYS 19 + QD1 ILE 57 OK 87 94 100 93 3.8-5.4 3.0/9560=30, 109/9203=30...(15) Violated in 0 structures by 0.00 A. Peak 4531 from cnoeabs.peaks (4.91, 0.71, 13.94 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 57 + QD1 ILE 57 OK 100 100 100 100 3.1-4.2 4.2=100 HA LEU 82 - QD1 ILE 57 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (1.82, 0.71, 13.94 ppm; 3.39 A): 3 out of 6 assignments used, quality = 1.00: * HB ILE 57 + QD1 ILE 57 OK 100 100 100 100 2.2-3.2 3.2=100 HB ILE 18 + QD1 ILE 57 OK 48 100 80 60 3.4-5.5 7985/9559=25...(10) HB3 LYS 19 + QD1 ILE 57 OK 44 90 65 75 4.0-5.6 112/9203=19, 3.0/9560=16...(11) HB2 LEU 14 - QD1 ILE 57 far 0 100 0 - 6.0-8.2 QE MET 121 - QD1 ILE 57 far 0 97 0 - 6.2-10.2 HG12 ILE 5 - QD1 ILE 57 far 0 73 0 - 6.5-9.5 Violated in 0 structures by 0.00 A. Peak 4533 from cnoeabs.peaks (0.84, 0.71, 13.94 ppm; 2.45 A): 3 out of 8 assignments used, quality = 0.97: * QG2 ILE 57 + QD1 ILE 57 OK 84 100 100 84 1.9-3.0 3.0=54, 4519/2.1=27...(19) HG13 ILE 57 + QD1 ILE 57 OK 61 61 100 100 2.1-2.1 2.1=100 QG2 ILE 15 + QD1 ILE 57 OK 53 97 95 57 1.7-4.3 2.1/9556=23, 3.2/9559=15...(14) QG2 VAL 22 - QD1 ILE 57 lone 3 81 60 7 3.4-5.6 10859/9199=3, 10781/4530=2 QG2 ILE 5 - QD1 ILE 57 far 0 100 0 - 5.4-7.5 QD1 LEU 14 - QD1 ILE 57 far 0 61 0 - 6.2-8.2 HG13 ILE 5 - QD1 ILE 57 far 0 98 0 - 6.6-9.3 QD2 LEU 82 - QD1 ILE 57 far 0 77 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 4534 from cnoeabs.peaks (1.46, 0.71, 13.94 ppm; 3.13 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 57 + QD1 ILE 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 7 - QD1 ILE 57 far 10 100 10 - 4.5-7.6 HG3 ARG 30 - QD1 ILE 57 far 0 96 0 - 4.8-6.8 HG3 LYS 20 - QD1 ILE 57 far 0 73 0 - 7.0-10.2 HG LEU 4 - QD1 ILE 57 far 0 94 0 - 7.0-11.7 HB3 LEU 6 - QD1 ILE 57 far 0 100 0 - 7.7-9.6 HB3 LEU 38 - QD1 ILE 57 far 0 100 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 4535 from cnoeabs.peaks (0.86, 0.71, 13.94 ppm; 2.50 A): 3 out of 10 assignments used, quality = 1.00: * HG13 ILE 57 + QD1 ILE 57 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 57 + QD1 ILE 57 OK 49 61 100 80 1.9-3.0 3.0=57, 4521/2.1=16...(12) QG2 ILE 15 + QD1 ILE 57 OK 48 87 95 58 1.7-4.3 2.1/9556=24, 3.2/9559=15...(16) QG2 VAL 22 - QD1 ILE 57 lone 6 99 60 10 3.4-5.6 10859/9199=4...(3) QG2 THR 9 - QD1 ILE 57 far 0 99 0 - 4.2-5.8 QG2 ILE 5 - QD1 ILE 57 far 0 65 0 - 5.4-7.5 QG1 VAL 32 - QD1 ILE 57 far 0 96 0 - 5.9-8.0 QG2 VAL 117 - QD1 ILE 57 far 0 98 0 - 6.0-7.5 QD1 LEU 14 - QD1 ILE 57 far 0 100 0 - 6.2-8.2 HG13 ILE 5 - QD1 ILE 57 far 0 84 0 - 6.6-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4541 from cnoeabs.peaks (8.81, 3.78, 66.61 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H SER 58 + HB2 SER 58 OK 100 100 100 100 2.8-3.7 4.0=100 H ASN 59 + HB2 SER 58 OK 72 73 100 98 3.5-4.3 4.5=83, 353/3.0=53...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4545 from cnoeabs.peaks (8.81, 3.42, 66.61 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * H SER 58 + HB3 SER 58 OK 100 100 100 100 2.8-3.8 4.0=100 H ASN 59 + HB3 SER 58 OK 73 73 100 99 2.4-4.3 4.5=83, 353/3.0=54...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4547 from cnoeabs.peaks (3.78, 3.42, 66.61 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 58 + HB3 SER 58 OK 100 100 100 100 1.8-1.8 1.8=100 HA LYS 65 - HB3 SER 58 far 0 81 0 - 8.0-9.9 HA LEU 68 - HB3 SER 58 far 0 100 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * H ASN 59 + HA ASN 59 OK 100 100 100 100 2.9-2.9 3.0=100 H SER 58 + HA ASN 59 OK 28 73 100 38 4.6-4.8 ~353=19, ~7587=11...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4555 from cnoeabs.peaks (8.79, 3.01, 38.96 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.5-3.8 4.0=100 H SER 58 - HB2 ASN 59 poor 8 73 30 37 5.4-6.9 4561/1.8=21, 4549/3.0=20 Violated in 0 structures by 0.00 A. Peak 4556 from cnoeabs.peaks (4.71, 3.01, 38.96 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 11 - HB2 ASN 59 far 0 65 0 - 6.3-9.1 HA ASP 34 - HB2 ASN 59 far 0 96 0 - 7.5-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 4561 from cnoeabs.peaks (8.79, 2.87, 38.96 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.4-3.8 4.0=100 H SER 58 + HB3 ASN 59 OK 31 73 65 65 5.4-6.9 4.6/1383=53, 4549/3.0=18...(4) Violated in 0 structures by 0.00 A. Peak 4562 from cnoeabs.peaks (4.71, 2.87, 38.96 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 11 - HB3 ASN 59 far 0 65 0 - 6.3-8.6 HA ASP 34 - HB3 ASN 59 far 0 96 0 - 8.1-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 4567 from cnoeabs.peaks (7.86, 4.86, 53.10 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 60 + HA ASP 60 OK 100 100 100 100 2.9-2.9 3.0=100 HE21 GLN 62 - HA ASP 60 poor 7 92 30 27 4.8-9.0 4571/3.0=13, 362/363=10 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4570 from cnoeabs.peaks (2.57, 4.86, 53.10 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 60 + HA ASP 60 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 MET 67 - HA ASP 60 far 0 100 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 4571 from cnoeabs.peaks (7.86, 2.73, 42.95 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 60 + HB2 ASP 60 OK 100 100 100 100 2.9-3.7 4.0=100 HE21 GLN 62 + HB2 ASP 60 OK 35 92 90 42 3.0-7.0 6.6/11182=22, 362/4.3=13...(4) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 ASP 60 + HB2 ASP 60 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 67 - HB2 ASP 60 far 0 100 0 - 7.3-11.6 Violated in 0 structures by 0.00 A. Peak 4575 from cnoeabs.peaks (7.86, 2.57, 42.95 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 60 + HB3 ASP 60 OK 100 100 100 100 2.3-2.6 4.0=100 HE21 GLN 62 - HB3 ASP 60 poor 13 92 45 33 4.6-8.4 4571/1.8=19, 362/4.3=12 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4577 from cnoeabs.peaks (2.73, 2.57, 42.95 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 60 + HB3 ASP 60 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 37 - HB3 ASP 60 far 0 97 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 LYS 61 + HA LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 6 - HA LYS 61 far 0 100 0 - 7.3-8.6 HB2 LEU 6 - HA LYS 61 far 0 94 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 4582 from cnoeabs.peaks (1.43, 3.72, 59.63 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 61 + HA LYS 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 63 - HA LYS 61 far 0 98 0 - 6.1-6.7 HG LEU 80 - HA LYS 61 far 0 94 0 - 7.7-9.9 HG2 LYS 96 - HA LYS 61 far 0 96 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.0 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.2 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-5.4 5.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-5.0 5.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.6 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 LYS 61 + HB2 LYS 61 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 96 - HB2 LYS 61 far 0 96 0 - 6.5-9.5 HB3 LEU 63 - HB2 LYS 61 far 0 98 0 - 8.2-8.7 HG LEU 80 - HB2 LYS 61 far 0 94 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.2 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.6 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4601 from cnoeabs.peaks (1.52, 1.43, 31.52 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HB3 LYS 61 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 6 - HB3 LYS 61 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.0 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.2 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-3.7 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 4611 from cnoeabs.peaks (1.52, 1.03, 24.91 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HG2 LYS 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 6 - HG2 LYS 61 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 4612 from cnoeabs.peaks (1.43, 1.03, 24.91 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 61 + HG2 LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 96 - HG2 LYS 61 far 0 96 0 - 7.1-10.9 HB3 LEU 63 - HG2 LYS 61 far 0 98 0 - 7.9-8.8 HG LEU 80 - HG2 LYS 61 far 0 94 0 - 8.0-13.1 HB3 GLN 83 - HG2 LYS 61 far 0 87 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 HE3 LYS 61 + HG2 LYS 61 OK 87 87 100 100 2.1-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 4618 from cnoeabs.peaks (2.67, 1.03, 24.91 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 61 + HG2 LYS 61 OK 100 100 100 100 2.1-4.2 3.8=100 HE2 LYS 61 + HG2 LYS 61 OK 87 87 100 100 2.1-3.7 3.8=100 HB3 ASP 84 - HG2 LYS 61 far 0 92 0 - 7.6-13.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-4.2 4.1=100 Violated in 0 structures by 0.00 A. Peak 4621 from cnoeabs.peaks (1.52, 1.26, 24.91 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HG3 LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 6 - HG3 LYS 61 far 0 100 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 4622 from cnoeabs.peaks (1.43, 1.26, 24.91 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 61 + HG3 LYS 61 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 96 - HG3 LYS 61 far 0 96 0 - 7.1-10.0 HB3 LEU 63 - HG3 LYS 61 far 0 98 0 - 8.0-9.9 HG LEU 80 - HG3 LYS 61 far 0 94 0 - 8.6-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 3.8=100 HE3 LYS 61 + HG3 LYS 61 OK 87 87 100 100 2.2-4.1 3.8=100 Violated in 0 structures by 0.00 A. Peak 4628 from cnoeabs.peaks (2.67, 1.26, 24.91 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 61 + HG3 LYS 61 OK 100 100 100 100 2.2-4.1 3.8=100 HE2 LYS 61 + HG3 LYS 61 OK 87 87 100 100 2.2-4.2 3.8=100 HB3 ASP 84 - HG3 LYS 61 far 0 92 0 - 7.2-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-5.4 5.0=100 Violated in 3 structures by 0.02 A. Peak 4631 from cnoeabs.peaks (1.52, 1.17, 28.78 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HD2 LYS 61 OK 100 100 100 100 2.2-4.2 3.7=100 HG LEU 6 - HD2 LYS 61 far 0 100 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 4632 from cnoeabs.peaks (1.43, 1.17, 28.78 ppm; 4.45 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 61 + HD2 LYS 61 OK 100 100 100 100 2.1-4.0 3.7=100 HG2 LYS 96 - HD2 LYS 61 far 0 96 0 - 6.3-11.4 HB3 LEU 63 - HD2 LYS 61 far 0 98 0 - 7.5-10.8 HG LEU 80 - HD2 LYS 61 far 0 94 0 - 7.7-13.4 HB3 GLN 83 - HD2 LYS 61 far 0 87 0 - 9.2-16.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 61 + HD2 LYS 61 OK 87 87 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4638 from cnoeabs.peaks (2.67, 1.17, 28.78 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 61 + HD2 LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 61 + HD2 LYS 61 OK 87 87 100 100 2.4-3.0 3.0=100 HB3 ASP 84 - HD2 LYS 61 far 0 92 0 - 7.2-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 4641 from cnoeabs.peaks (1.52, 1.10, 28.78 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HD3 LYS 61 OK 100 100 100 100 2.1-4.2 3.7=100 HG LEU 6 - HD3 LYS 61 far 0 100 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 4642 from cnoeabs.peaks (1.43, 1.10, 28.78 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 61 + HD3 LYS 61 OK 100 100 100 100 2.3-4.2 3.7=100 HG2 LYS 96 - HD3 LYS 61 far 0 96 0 - 6.5-11.5 HB3 LEU 63 - HD3 LYS 61 far 0 98 0 - 7.9-11.2 HB3 GLN 83 - HD3 LYS 61 far 0 87 0 - 8.4-16.0 HG LEU 80 - HD3 LYS 61 far 0 94 0 - 8.5-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 61 + HD3 LYS 61 OK 87 87 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4648 from cnoeabs.peaks (2.67, 1.10, 28.78 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 61 + HD3 LYS 61 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 61 + HD3 LYS 61 OK 87 87 100 100 2.3-3.0 3.0=100 HB3 ASP 84 - HD3 LYS 61 far 0 92 0 - 6.4-12.4 Violated in 0 structures by 0.00 A. Peak 4652 from cnoeabs.peaks (1.43, 2.69, 41.78 ppm; 5.31 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 61 + HE2 LYS 61 OK 100 100 100 100 2.0-5.4 4.9=100 HB3 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.2-5.3 4.9=100 HG2 LYS 96 - HE3 LYS 61 far 3 66 5 - 6.5-12.1 HG LEU 80 - HE3 LYS 61 far 0 64 0 - 7.4-14.8 HG2 LYS 96 - HE2 LYS 61 far 0 96 0 - 7.4-12.0 HB3 LEU 63 - HE3 LYS 61 far 0 69 0 - 8.5-11.9 HG3 LYS 17 - HE2 LYS 19 far 0 67 0 - 8.6-12.7 HG12 ILE 56 - HE2 LYS 19 far 0 65 0 - 8.7-13.8 HG LEU 80 - HE2 LYS 61 far 0 94 0 - 8.9-15.2 HB3 LEU 63 - HE2 LYS 61 far 0 98 0 - 9.1-12.2 HG3 LYS 17 - HE3 LYS 19 far 0 67 0 - 9.2-12.1 HB3 GLN 83 - HE3 LYS 61 far 0 57 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 HG2 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.1-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 4654 from cnoeabs.peaks (1.26, 2.69, 41.78 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 61 + HE2 LYS 61 OK 100 100 100 100 2.2-4.2 3.8=100 HG3 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.2-4.1 3.8=100 HG13 ILE 7 - HE2 LYS 19 far 3 66 5 - 5.8-13.1 HG13 ILE 7 - HE3 LYS 19 far 3 66 5 - 6.4-13.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4656 from cnoeabs.peaks (1.10, 2.69, 41.78 ppm; 3.90 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 61 + HE2 LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HE2 LYS 19 OK 68 68 100 100 2.2-4.2 4.0=94, 1133/7.1=16...(28) HG2 LYS 19 + HE3 LYS 19 OK 68 68 100 100 2.4-3.8 4.0=94, 1133/7.1=16...(28) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.2 3.8=100 HG2 LYS 61 + HE2 LYS 61 OK 73 73 100 100 2.1-3.7 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.1 3.8=100 HG3 LYS 61 + HE2 LYS 61 OK 73 73 100 100 2.2-4.2 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 61 + HE2 LYS 61 OK 73 73 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 61 + HE2 LYS 61 OK 73 73 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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: * HB2 GLN 62 + HA GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 62 + HA GLN 62 OK 100 100 100 100 2.4-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4672 from cnoeabs.peaks (2.17, 4.11, 58.30 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 62 + HA GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLN 62 + HA GLN 62 OK 100 100 100 100 2.4-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4673 from cnoeabs.peaks (2.41, 4.11, 58.30 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 62 + HA GLN 62 OK 99 100 100 99 3.5-3.8 3.9=78, 1.8/4702=38...(22) HG3 GLN 62 + HA GLN 62 OK 99 100 100 99 2.9-3.9 3.9=78, 1.8/4694=38...(22) HG3 MET 67 - HA GLN 62 far 0 65 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 4674 from cnoeabs.peaks (2.41, 4.11, 58.30 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 62 + HA GLN 62 OK 99 100 100 99 2.9-3.9 3.9=78, 1.8/4694=38...(22) HG2 GLN 62 + HA GLN 62 OK 99 100 100 99 3.5-3.8 3.9=78, 1.8/4702=38...(22) HG3 MET 67 - HA GLN 62 far 0 70 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 4675 from cnoeabs.peaks (7.85, 4.11, 58.30 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.89: * HE21 GLN 62 + HA GLN 62 OK 89 100 100 89 3.7-4.9 5.7=67, 3.5/4694=42, 3.5/4702=42 H ASP 60 - HA GLN 62 far 0 92 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 4677 from cnoeabs.peaks (8.43, 2.17, 27.45 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: H GLN 62 + HB3 GLN 62 OK 97 100 100 97 2.1-3.6 4.0=74, 1403/1.8=45...(9) * H GLN 62 + HB2 GLN 62 OK 97 100 100 97 2.7-3.6 4.0=74, 1403/1.8=45...(9) Violated in 0 structures by 0.00 A. 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 + HB2 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.4-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HG2 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 67 - HB2 GLN 62 far 0 65 0 - 8.1-12.0 HG3 MET 67 - HB3 GLN 62 far 0 65 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 4682 from cnoeabs.peaks (2.41, 2.17, 27.45 ppm; 3.19 A): 4 out of 6 assignments used, quality = 1.00: * HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 67 - HB2 GLN 62 far 0 70 0 - 8.1-12.0 HG3 MET 67 - HB3 GLN 62 far 0 70 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 4685 from cnoeabs.peaks (8.43, 2.17, 27.45 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 62 + HB3 GLN 62 OK 97 100 100 97 2.1-3.6 4.0=74, 1403/1.8=45...(9) H GLN 62 + HB2 GLN 62 OK 97 100 100 97 2.7-3.6 4.0=74, 1403/1.8=45...(9) Violated in 0 structures by 0.00 A. 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 + HB2 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HA GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.4-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG2 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 67 - HB2 GLN 62 far 0 65 0 - 8.1-12.0 HG3 MET 67 - HB3 GLN 62 far 0 65 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 4690 from cnoeabs.peaks (2.41, 2.17, 27.45 ppm; 3.19 A): 4 out of 6 assignments used, quality = 1.00: HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 * HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 67 - HB2 GLN 62 far 0 70 0 - 8.1-12.0 HG3 MET 67 - HB3 GLN 62 far 0 70 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 4693 from cnoeabs.peaks (8.43, 2.41, 33.72 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: * H GLN 62 + HG2 GLN 62 OK 98 100 100 98 1.9-3.9 1404=50, 1405/1.8=43...(13) H GLN 62 + HG3 GLN 62 OK 98 100 100 98 2.7-4.4 1404=50, 1404/1.8=43...(13) H ASN 10 - HG3 GLN 85 far 0 86 0 - 7.9-12.3 H GLN 83 - HG2 GLN 85 far 0 95 0 - 8.1-11.4 H ASN 10 - HG2 GLN 85 far 0 92 0 - 8.3-12.5 H GLN 83 - HG3 GLN 85 far 0 89 0 - 8.5-10.9 H VAL 32 - HG3 GLN 62 far 0 97 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4694 from cnoeabs.peaks (4.11, 2.41, 33.72 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 62 + HG2 GLN 62 OK 99 100 100 99 3.5-3.8 3.9=72, 4674/1.8=35...(22) HA GLN 62 + HG3 GLN 62 OK 99 100 100 99 2.9-3.9 3.9=72, 4673/1.8=35...(22) HA ASP 110 - HG3 GLN 85 far 0 78 0 - 7.0-11.5 HA ASP 110 - HG2 GLN 85 far 0 84 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 4695 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 9 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 89 92 100 97 2.3-3.0 3.0=71, 5658/1.8=28...(22) HB3 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4694=16...(9) * HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4694=16...(9) HB2 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4694=15...(9) HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4694=15...(9) HB2 GLN 85 + HG3 GLN 85 OK 84 86 100 97 2.3-3.0 3.0=71, 5657/1.8=28...(22) HB3 GLU 37 - HG3 GLN 62 far 0 95 0 - 9.4-13.2 HB3 GLU 13 - HG3 GLN 85 far 0 85 0 - 9.6-15.6 HB3 GLU 37 - HG2 GLN 62 far 0 96 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4696 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 9 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 89 92 100 97 2.3-3.0 3.0=71, 5658/1.8=28...(22) * HB3 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4694=16...(9) HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4694=16...(9) HB2 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4694=15...(9) HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4694=15...(9) HB2 GLN 85 + HG3 GLN 85 OK 84 86 100 97 2.3-3.0 3.0=71, 5657/1.8=28...(22) HB3 GLU 37 - HG3 GLN 62 far 0 95 0 - 9.4-13.2 HB3 GLU 13 - HG3 GLN 85 far 0 85 0 - 9.6-15.6 HB3 GLU 37 - HG2 GLN 62 far 0 96 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HE21 GLN 62 + HG2 GLN 62 OK 100 100 100 100 2.2-3.6 3.5=100 HE21 GLN 62 + HG3 GLN 62 OK 100 100 100 100 2.3-3.6 3.5=100 H ASP 60 - HG2 GLN 62 lone 2 92 25 9 5.3-7.2 9649/11407=8 H ASP 60 - HG3 GLN 62 far 0 92 0 - 5.6-8.5 H SER 126 - HG2 GLN 122 far 0 52 0 - 7.5-8.6 H LYS 39 - HG3 GLN 62 far 0 65 0 - 8.5-12.4 H LYS 39 - HG2 GLN 62 far 0 65 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 4700 from cnoeabs.peaks (6.89, 2.41, 33.72 ppm; 4.04 A): 4 out of 5 assignments used, quality = 1.00: * HE22 GLN 62 + HG2 GLN 62 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 93 93 100 100 3.4-4.1 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 87 87 100 100 3.4-4.0 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 3 52 5 - 4.1-10.8 Violated in 0 structures by 0.00 A. Peak 4701 from cnoeabs.peaks (8.43, 2.41, 33.72 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: * H GLN 62 + HG3 GLN 62 OK 98 100 100 98 2.7-4.4 1405=50, 1404/1.8=43...(13) H GLN 62 + HG2 GLN 62 OK 98 100 100 98 1.9-3.9 1405=50, 1405/1.8=43...(13) H ASN 10 - HG3 GLN 85 far 0 89 0 - 7.9-12.3 H GLN 83 - HG2 GLN 85 far 0 97 0 - 8.1-11.4 H ASN 10 - HG2 GLN 85 far 0 94 0 - 8.3-12.5 H GLN 83 - HG3 GLN 85 far 0 92 0 - 8.5-10.9 H VAL 32 - HG3 GLN 62 far 0 97 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4702 from cnoeabs.peaks (4.11, 2.41, 33.72 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 62 + HG3 GLN 62 OK 99 100 100 99 2.9-3.9 3.9=72, 4673/1.8=35...(22) HA GLN 62 + HG2 GLN 62 OK 99 100 100 99 3.5-3.8 3.9=72, 4674/1.8=35...(22) HA ASP 110 - HG3 GLN 85 far 0 82 0 - 7.0-11.5 HA ASP 110 - HG2 GLN 85 far 0 87 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 4703 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 9 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 91 94 100 97 2.3-3.0 3.0=71, 5658/1.8=28...(22) * HB2 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4702=15...(9) HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4702=15...(9) HB3 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4702=15...(9) HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4702=15...(9) HB2 GLN 85 + HG3 GLN 85 OK 87 89 100 97 2.3-3.0 3.0=71, 5657/1.8=28...(22) HB3 GLU 37 - HG3 GLN 62 far 0 96 0 - 9.4-13.2 HB3 GLU 13 - HG3 GLN 85 far 0 88 0 - 9.6-15.6 HB3 GLU 37 - HG2 GLN 62 far 0 95 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4704 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 9 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 91 94 100 97 2.3-3.0 3.0=71, 5658/1.8=28...(22) HB2 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4702=15...(9) * HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4702=15...(9) HB3 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4702=15...(9) HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.3-3.0 3.0=71, 3.0/4702=15...(9) HB2 GLN 85 + HG3 GLN 85 OK 87 89 100 97 2.3-3.0 3.0=71, 5657/1.8=28...(22) HB3 GLU 37 - HG3 GLN 62 far 0 96 0 - 9.4-13.2 HB3 GLU 13 - HG3 GLN 85 far 0 88 0 - 9.6-15.6 HB3 GLU 37 - HG2 GLN 62 far 0 95 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HE21 GLN 62 + HG3 GLN 62 OK 100 100 100 100 2.3-3.6 3.5=100 HE21 GLN 62 + HG2 GLN 62 OK 100 100 100 100 2.2-3.6 3.5=100 H ASP 60 - HG2 GLN 62 lone 2 92 25 9 5.3-7.2 9649/11407=9 H ASP 60 - HG3 GLN 62 far 0 92 0 - 5.6-8.5 H SER 126 - HG2 GLN 122 far 0 54 0 - 7.5-8.6 H LYS 39 - HG3 GLN 62 far 0 65 0 - 8.5-12.4 H LYS 39 - HG2 GLN 62 far 0 65 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 4708 from cnoeabs.peaks (6.89, 2.41, 33.72 ppm; 4.04 A): 4 out of 5 assignments used, quality = 1.00: * HE22 GLN 62 + HG3 GLN 62 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 95 95 100 100 3.4-4.1 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 91 91 100 100 3.4-4.0 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 3 54 5 - 4.1-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + HA LEU 63 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 67 + HA LEU 63 OK 83 94 95 92 3.3-5.1 9721/3.0=51, 9736/3.6=32...(15) QE MET 42 - HA LEU 63 far 0 99 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 4712 from cnoeabs.peaks (1.43, 4.13, 56.64 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 63 + HA LEU 63 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LYS 61 - HA LEU 63 far 0 98 0 - 7.6-8.5 HG12 ILE 56 - HA LEU 63 far 0 100 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 4713 from cnoeabs.peaks (1.62, 4.13, 56.64 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 63 + HA LEU 63 OK 100 100 100 100 2.6-3.3 3.7=100 HB3 LEU 64 - HA LEU 63 far 0 94 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 4714 from cnoeabs.peaks (0.71, 4.13, 56.64 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 63 + HA LEU 63 OK 100 100 100 100 1.9-2.4 4738=98, 2.1/4715=57...(20) QD1 LEU 6 - HA LEU 63 far 0 98 0 - 6.3-7.4 QG2 ILE 56 - HA LEU 63 far 0 77 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 4715 from cnoeabs.peaks (0.74, 4.13, 56.64 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 63 + HA LEU 63 OK 100 100 100 100 3.7-3.9 2.1/4714=74, 4.0=62...(19) QD2 LEU 6 - HA LEU 63 far 0 98 0 - 6.4-7.3 Violated in 20 structures by 0.37 A. Peak 4716 from cnoeabs.peaks (7.67, 1.87, 40.89 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + HB2 LEU 63 OK 100 100 100 100 2.1-2.4 1410=100, 1411/1.8=75...(15) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 LEU 63 + HB2 LEU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 61 - HB2 LEU 63 far 0 98 0 - 6.7-7.2 HG12 ILE 56 - HB2 LEU 63 far 0 100 0 - 7.8-11.8 Violated in 0 structures by 0.00 A. Peak 4720 from cnoeabs.peaks (1.62, 1.87, 40.89 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 63 + HB2 LEU 63 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 64 + HB2 LEU 63 OK 62 94 100 66 4.2-5.0 3.6/386=26, 1412/1410=22...(12) Violated in 0 structures by 0.00 A. Peak 4721 from cnoeabs.peaks (0.71, 1.87, 40.89 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 63 + HB2 LEU 63 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 LEU 6 - HB2 LEU 63 far 0 98 0 - 5.6-6.5 QG2 ILE 56 - HB2 LEU 63 far 0 77 0 - 5.9-8.4 QD1 ILE 57 - HB2 LEU 63 far 0 100 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 4722 from cnoeabs.peaks (0.74, 1.87, 40.89 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 63 + HB2 LEU 63 OK 100 100 100 100 2.1-2.5 3.1=100 QD2 LEU 6 - HB2 LEU 63 far 0 98 0 - 6.2-7.2 QG2 ILE 7 - HB2 LEU 63 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 4723 from cnoeabs.peaks (7.67, 1.43, 40.89 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + HB3 LEU 63 OK 100 100 100 100 3.5-3.6 1411=100, 1410/1.8=85...(15) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 4725 from cnoeabs.peaks (1.87, 1.43, 40.89 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + HB3 LEU 63 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 67 + HB3 LEU 63 OK 84 94 100 90 1.9-3.7 9721=56, 4711/3.0=19...(16) QE MET 42 - HB3 LEU 63 far 0 99 0 - 5.8-8.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG LEU 63 + HB3 LEU 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 64 - HB3 LEU 63 far 14 94 15 - 4.5-5.5 Violated in 0 structures by 0.00 A. Peak 4728 from cnoeabs.peaks (0.71, 1.43, 40.89 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 63 + HB3 LEU 63 OK 100 100 100 100 2.1-2.6 3.1=100 QG2 ILE 56 - HB3 LEU 63 far 12 77 15 - 4.7-7.7 QD1 LEU 6 - HB3 LEU 63 far 5 98 5 - 4.9-6.3 QD1 ILE 57 - HB3 LEU 63 far 0 100 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 4729 from cnoeabs.peaks (0.74, 1.43, 40.89 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 63 + HB3 LEU 63 OK 100 100 100 100 2.2-2.6 3.1=100 QD2 LEU 6 - HB3 LEU 63 far 0 98 0 - 5.2-6.3 QG2 ILE 7 - HB3 LEU 63 far 0 100 0 - 8.9-10.0 QD2 LEU 55 - HB3 LEU 63 far 0 99 0 - 9.5-12.2 QG2 ILE 54 - HB3 LEU 63 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4730 from cnoeabs.peaks (7.67, 1.62, 26.77 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + HG LEU 63 OK 100 100 100 100 2.6-3.2 1413/2.1=63, 1414/2.1=61...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.3 3.7=100 Violated in 0 structures by 0.00 A. Peak 4732 from cnoeabs.peaks (1.87, 1.62, 26.77 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + HG LEU 63 OK 100 100 100 100 2.3-2.6 3.0=100 QE MET 67 + HG LEU 63 OK 56 94 65 92 4.5-6.2 9721/3.0=51, 9725/2.1=30...(16) QE MET 42 - HG LEU 63 far 0 99 0 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 4733 from cnoeabs.peaks (1.43, 1.62, 26.77 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 63 + HG LEU 63 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 61 - HG LEU 63 far 0 98 0 - 7.0-8.6 HG12 ILE 56 - HG LEU 63 far 0 100 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QD2 LEU 63 + HG LEU 63 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 56 - HG LEU 63 far 0 77 0 - 7.1-10.1 QD1 LEU 6 - HG LEU 63 far 0 98 0 - 7.4-8.5 QD1 ILE 57 - HG LEU 63 far 0 100 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 4736 from cnoeabs.peaks (0.74, 1.62, 26.77 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 63 + HG LEU 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 6 - HG LEU 63 far 0 98 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 4737 from cnoeabs.peaks (7.67, 0.71, 22.93 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + QD2 LEU 63 OK 100 100 100 100 2.9-4.1 1413=100, 4730/2.1=83...(12) Violated in 0 structures by 0.00 A. Peak 4738 from cnoeabs.peaks (4.13, 0.71, 22.93 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + QD2 LEU 63 OK 100 100 100 100 1.9-2.4 4714=100, 4715/2.1=57...(20) Violated in 0 structures by 0.00 A. Peak 4739 from cnoeabs.peaks (1.87, 0.71, 22.93 ppm; 3.76 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + QD2 LEU 63 OK 100 100 100 100 3.1-3.2 3.1=100 QE MET 67 + QD2 LEU 63 OK 91 94 100 97 2.2-4.5 9721/3.1=54, 9725/2.1=32...(18) QE MET 42 - QD2 LEU 63 far 5 99 5 - 5.2-8.1 Violated in 0 structures by 0.00 A. Peak 4740 from cnoeabs.peaks (1.43, 0.71, 22.93 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 63 + QD2 LEU 63 OK 100 100 100 100 2.1-2.6 3.1=100 HB3 LYS 61 - QD2 LEU 63 far 0 98 0 - 7.1-8.8 HG12 ILE 56 - QD2 LEU 63 far 0 100 0 - 7.7-9.8 HG3 LYS 44 - QD2 LEU 63 far 0 87 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 4741 from cnoeabs.peaks (1.62, 0.71, 22.93 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 63 + QD2 LEU 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 - QD2 LEU 63 far 0 94 0 - 6.0-6.6 HG3 LYS 40 - QD2 LEU 63 far 0 100 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QD1 LEU 63 + QD2 LEU 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 6 - QD2 LEU 63 far 0 98 0 - 5.6-7.1 QG2 ILE 54 - QD2 LEU 63 far 0 99 0 - 8.7-11.0 QD1 LEU 45 - QD2 LEU 63 far 0 84 0 - 8.8-10.5 QD2 LEU 45 - QD2 LEU 63 far 0 73 0 - 9.1-10.7 QD2 LEU 55 - QD2 LEU 63 far 0 99 0 - 9.2-11.9 QG2 ILE 7 - QD2 LEU 63 far 0 100 0 - 9.3-10.4 QG2 VAL 78 - QD2 LEU 63 far 0 73 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 4744 from cnoeabs.peaks (7.67, 0.74, 25.21 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 63 + QD1 LEU 63 OK 100 100 100 100 3.4-4.0 1414=100, 4730/2.1=92...(14) H LEU 63 - QD2 LEU 6 far 0 84 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 4745 from cnoeabs.peaks (4.13, 0.74, 25.21 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 63 + QD1 LEU 63 OK 100 100 100 100 3.7-3.9 4.0=100 HA LEU 45 + QD1 LEU 45 OK 24 24 100 100 3.7-4.0 4.0=100 HA LEU 63 - QD2 LEU 6 far 0 84 0 - 6.4-7.3 HB2 SER 72 - QD2 LEU 6 far 0 67 0 - 6.7-9.4 HA MET 1 - QD1 LEU 45 far 0 21 0 - 7.1-10.7 HB3 SER 72 - QD2 LEU 6 far 0 67 0 - 7.3-10.4 HB3 SER 72 - QD1 LEU 45 far 0 27 0 - 8.4-10.5 HB2 SER 72 - QD1 LEU 45 far 0 27 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 4746 from cnoeabs.peaks (1.87, 0.74, 25.21 ppm; 3.14 A): 6 out of 10 assignments used, quality = 1.00: * HB2 LEU 63 + QD1 LEU 63 OK 100 100 100 100 2.1-2.5 3.1=100 QE MET 67 + QD1 LEU 63 OK 82 94 95 92 3.0-4.7 9721/3.1=39, 9725=34...(20) QE MET 67 + QD2 LEU 6 OK 58 74 100 78 1.7-3.7 9725=28, 3.3/9719=20...(15) HG LEU 45 + QD1 LEU 45 OK 28 28 100 100 2.1-2.1 2.1=100 QE MET 42 + QD2 LEU 6 OK 26 81 100 33 2.7-4.3 9427/9719=16...(8) QE MET 42 + QD1 LEU 45 OK 22 34 95 67 1.9-4.7 9431=41, 3804/9416=16...(8) HB2 LEU 63 - QD2 LEU 6 far 0 84 0 - 6.2-7.2 QE MET 67 - QD1 LEU 45 far 0 30 0 - 6.3-7.8 QE MET 42 - QD1 LEU 63 far 0 99 0 - 6.4-8.7 HG LEU 45 - QD2 LEU 6 far 0 69 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 4747 from cnoeabs.peaks (1.43, 0.74, 25.21 ppm; 2.91 A): 2 out of 16 assignments used, quality = 0.99: * HB3 LEU 63 + QD1 LEU 63 OK 97 100 100 97 2.2-2.6 3.1=80, 3.0/4715=37...(10) HG12 ILE 56 + QD2 LEU 6 OK 52 84 95 65 3.2-4.6 11706=34, 1.8/11705=17...(7) HB3 LEU 4 - QD2 LEU 6 lone 7 69 55 19 3.7-5.0 1366/11559=5, 11528=3...(8) HB2 LEU 4 - QD2 LEU 6 far 3 69 5 - 4.3-6.0 HB2 LEU 4 - QD1 LEU 45 far 3 28 10 - 4.3-5.9 HB3 LEU 4 - QD1 LEU 45 far 1 28 5 - 4.1-5.9 HG12 ILE 56 - QD1 LEU 45 far 0 36 0 - 4.5-6.7 HG3 LYS 44 - QD1 LEU 45 far 0 27 0 - 5.0-6.9 HB3 LEU 63 - QD2 LEU 6 far 0 84 0 - 5.2-6.3 HG LEU 80 - QD2 LEU 6 far 0 58 0 - 5.9-7.8 HG12 ILE 56 - QD1 LEU 63 far 0 100 0 - 6.6-10.0 HB3 LYS 61 - QD1 LEU 63 far 0 98 0 - 7.1-8.0 HB3 LYS 61 - QD2 LEU 6 far 0 79 0 - 8.8-10.7 HG3 LYS 44 - QD2 LEU 6 far 0 67 0 - 9.1-11.7 HG3 LYS 44 - QD1 LEU 63 far 0 87 0 - 9.9-12.8 QB ALA 113 - QD2 LEU 6 far 0 55 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 4748 from cnoeabs.peaks (1.62, 0.74, 25.21 ppm; 3.26 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 63 + QD1 LEU 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 - QD2 LEU 6 far 7 74 10 - 3.8-5.9 HB3 LEU 64 - QD1 LEU 63 far 0 94 0 - 5.5-6.4 HG LEU 63 - QD2 LEU 6 far 0 84 0 - 7.7-8.8 HB2 LEU 82 - QD2 LEU 6 far 0 84 0 - 7.9-10.9 HD3 LYS 77 - QD2 LEU 6 far 0 83 0 - 7.9-11.5 HG3 LYS 40 - QD1 LEU 63 far 0 100 0 - 8.5-10.9 HD2 LYS 77 - QD2 LEU 6 far 0 82 0 - 8.7-10.4 HG3 LYS 40 - QD1 LEU 45 far 0 36 0 - 8.8-10.5 HD3 LYS 77 - QD1 LEU 45 far 0 35 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 4749 from cnoeabs.peaks (0.71, 0.74, 25.21 ppm; 2.40 A): 4 out of 20 assignments used, quality = 1.00: * QD2 LEU 63 + QD1 LEU 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 6 + QD2 LEU 6 OK 79 79 100 100 2.0-2.1 2.1=100 QG2 ILE 56 + QD2 LEU 6 OK 24 58 100 42 2.0-2.9 3.2/11706=11...(8) QD2 LEU 45 + QD1 LEU 45 OK 21 21 100 100 1.9-2.1 2.1=100 QG2 VAL 78 - QD2 LEU 6 poor 18 55 75 44 3.3-4.4 ~11567=14, 2.1/5417=10...(9) QG2 VAL 78 - QD1 LEU 45 far 0 21 0 - 4.4-5.8 QG2 ILE 56 - QD1 LEU 63 far 0 77 0 - 4.9-7.5 QD1 ILE 57 - QD2 LEU 6 far 0 83 0 - 5.2-7.6 QG2 ILE 56 - QD1 LEU 45 far 0 23 0 - 5.2-7.3 QD2 LEU 63 - QD2 LEU 6 far 0 84 0 - 5.6-7.1 QD1 LEU 6 - QD1 LEU 63 far 0 98 0 - 5.6-6.7 QG1 VAL 117 - QD2 LEU 6 far 0 67 0 - 6.7-7.5 QD1 ILE 57 - QD1 LEU 63 far 0 100 0 - 6.7-8.4 QD2 LEU 45 - QD2 LEU 6 far 0 55 0 - 6.9-8.3 QD2 LEU 81 - QD2 LEU 6 far 0 83 0 - 6.9-7.8 QG2 ILE 18 - QD2 LEU 6 far 0 74 0 - 7.1-8.3 QD1 LEU 6 - QD1 LEU 45 far 0 33 0 - 7.6-9.4 QD2 LEU 63 - QD1 LEU 45 far 0 36 0 - 8.8-10.5 QD1 ILE 57 - QD1 LEU 45 far 0 35 0 - 8.9-10.9 QG2 ILE 18 - QD1 LEU 63 far 0 94 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4750 from cnoeabs.peaks (0.74, 0.74, 25.21 ppm; diagonal): 3 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 3 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 100 100 2.7-2.8 2.9=100 H GLU 69 - HA LEU 64 far 0 100 0 - 6.4-6.9 H ASP 34 - HA LEU 64 far 0 92 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.2-3.0 3.0=100 HB ILE 3 - HA GLU 128 far 8 56 15 - 4.1-7.9 HB VAL 32 - HA LEU 64 far 0 84 0 - 5.8-6.8 HB ILE 97 - HA LEU 64 far 0 61 0 - 9.3-11.0 HG12 ILE 5 - HA GLU 128 far 0 52 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 4754 from cnoeabs.peaks (1.63, 3.91, 57.78 ppm; 3.71 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 84 84 100 100 2.5-4.2 3.7=100 HB3 LEU 127 + HA GLU 128 OK 50 59 100 85 4.6-5.0 ~806=40, 807/2.9=38...(7) HG LEU 63 - HA LEU 64 far 0 94 0 - 6.5-6.6 HD2 LYS 77 - HA GLU 128 far 0 86 0 - 7.7-11.5 HD3 LYS 77 - HA GLU 128 far 0 85 0 - 8.6-11.8 HB2 LEU 82 - HA LEU 64 far 0 96 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 4755 from cnoeabs.peaks (1.64, 3.91, 57.78 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 100 100 2.5-4.2 3.7=100 HB3 LEU 64 + HA LEU 64 OK 84 84 100 100 2.4-3.0 3.0=100 HD2 LYS 65 - HA LEU 64 far 0 87 0 - 5.8-8.4 HB2 GLU 52 - HA GLU 128 far 0 66 0 - 6.1-13.3 HD3 LYS 65 - HA LEU 64 far 0 94 0 - 6.4-8.1 HD2 LYS 77 - HA GLU 128 far 0 52 0 - 7.7-11.5 HD3 LYS 77 - HA GLU 128 far 0 49 0 - 8.6-11.8 HB2 ARG 30 - HA LEU 64 far 0 87 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 4756 from cnoeabs.peaks (0.81, 3.91, 57.78 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 3.4-4.0 4780=95, 2.1/4757=65...(17) QD2 LEU 82 - HA LEU 64 far 0 90 0 - 6.7-9.9 QG2 ILE 71 - HA LEU 64 far 0 100 0 - 7.0-8.5 QD1 LEU 74 - HA LEU 64 far 0 100 0 - 8.8-13.8 QG2 ILE 71 - HA GLU 128 far 0 88 0 - 9.8-13.3 Violated in 20 structures by 0.23 A. Peak 4757 from cnoeabs.peaks (0.78, 3.91, 57.78 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.0-3.6 4787=90, 2.1/4756=67...(21) QD2 LEU 80 - HA LEU 64 far 5 97 5 - 4.9-8.1 QD1 LEU 80 - HA LEU 64 far 0 96 0 - 5.0-8.1 QD1 ILE 7 - HA LEU 64 far 0 73 0 - 7.3-9.0 QD1 LEU 82 - HA LEU 64 far 0 99 0 - 7.6-9.6 QD1 ILE 15 - HA LEU 64 far 0 61 0 - 9.1-11.0 Violated in 7 structures by 0.04 A. Peak 4758 from cnoeabs.peaks (7.63, 1.79, 41.35 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.5-3.5 3.6=100 H GLU 69 - HB2 LEU 64 far 0 100 0 - 7.6-8.7 HD21 ASN 10 - HB2 LEU 64 far 0 77 0 - 9.3-14.2 Violated in 0 structures by 0.00 A. Peak 4759 from cnoeabs.peaks (3.91, 1.79, 41.35 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 38 - HB2 LEU 64 far 0 99 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 64 + HB2 LEU 64 OK 84 84 100 100 2.3-3.0 3.0=100 HB2 LEU 82 - HB2 LEU 64 far 0 96 0 - 6.6-9.9 HG LEU 63 - HB2 LEU 64 far 0 94 0 - 6.7-8.0 HB ILE 5 - HB2 LEU 64 far 0 70 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 4762 from cnoeabs.peaks (1.64, 1.79, 41.35 ppm; 3.07 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 64 + HB2 LEU 64 OK 84 84 100 100 1.8-1.8 1.8=100 HD3 LYS 65 - HB2 LEU 64 far 5 94 5 - 4.5-8.1 HD2 LYS 65 - HB2 LEU 64 far 4 87 5 - 4.5-9.0 HB ILE 5 - HB2 LEU 64 far 0 99 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 4763 from cnoeabs.peaks (0.81, 1.79, 41.35 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 82 - HB2 LEU 64 far 0 90 0 - 5.0-8.3 QG2 ILE 71 - HB2 LEU 64 far 0 100 0 - 8.3-9.9 QD1 LEU 74 - HB2 LEU 64 far 0 100 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 4764 from cnoeabs.peaks (0.78, 1.79, 41.35 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 80 + HB2 LEU 64 OK 51 96 80 67 3.8-7.0 4771/1.8=19...(13) QD2 LEU 80 - HB2 LEU 64 poor 17 97 25 69 4.0-7.3 9922/11071=32, ~4771=11...(14) QD1 LEU 82 - HB2 LEU 64 far 0 99 0 - 6.2-8.0 QD1 ILE 7 - HB2 LEU 64 far 0 73 0 - 6.9-9.2 QD1 ILE 15 - HB2 LEU 64 far 0 61 0 - 7.9-10.3 QD1 LEU 81 - HB2 LEU 64 far 0 98 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 4765 from cnoeabs.peaks (7.63, 1.63, 41.35 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.1-2.6 3.6=100 H GLU 69 - HB3 LEU 64 far 0 100 0 - 7.6-8.5 HD21 ASN 10 - HB3 LEU 64 far 0 77 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 4766 from cnoeabs.peaks (3.91, 1.63, 41.35 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 38 - HB3 LEU 64 far 0 99 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 4767 from cnoeabs.peaks (1.79, 1.63, 41.35 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 32 - HB3 LEU 64 far 0 84 0 - 7.2-8.8 HB ILE 97 - HB3 LEU 64 far 0 61 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.9-2.8 3.1=100 QD2 LEU 82 - HB3 LEU 64 poor 7 90 25 30 4.7-8.1 9982/4682=14, 4791/3.1=5...(7) QG2 ILE 71 - HB3 LEU 64 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 4771 from cnoeabs.peaks (0.78, 1.63, 41.35 ppm; 3.57 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 80 + HB3 LEU 64 OK 41 96 70 62 4.3-7.1 4764/1.8=22, 4778/3.0=16...(12) QD2 LEU 80 - HB3 LEU 64 poor 15 97 25 62 4.3-6.8 9922/11072=23, ~4764=13...(13) QD1 LEU 82 - HB3 LEU 64 far 0 99 0 - 6.0-8.1 QD1 ILE 7 - HB3 LEU 64 far 0 73 0 - 7.7-9.5 QD1 ILE 15 - HB3 LEU 64 far 0 61 0 - 8.6-11.2 QD1 LEU 81 - HB3 LEU 64 far 0 98 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4772 from cnoeabs.peaks (7.63, 1.64, 26.77 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 64 + HG LEU 64 OK 100 100 100 100 4.0-4.6 1420/2.1=81, 1421/2.1=78...(14) H LYS 115 + HG LEU 114 OK 76 77 100 98 2.6-5.3 7883/3.0=54, 7886/2.1=51...(11) H GLU 69 - HG LEU 64 far 0 100 0 - 6.4-8.4 HE21 GLN 85 - HG LEU 90 far 0 99 0 - 8.5-13.2 HD21 ASN 10 - HG LEU 90 far 0 75 0 - 9.0-13.9 HD21 ASN 10 - HG LEU 64 far 0 77 0 - 9.7-15.1 Violated in 6 structures by 0.06 A. Peak 4773 from cnoeabs.peaks (3.91, 1.64, 26.77 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.5-4.2 3.7=100 HA ARG 118 - HG LEU 114 far 0 64 0 - 8.4-10.3 HA LEU 38 - HG LEU 64 far 0 99 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 4774 from cnoeabs.peaks (1.79, 1.64, 26.77 ppm; 3.09 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 90 + HG LEU 90 OK 82 82 100 100 2.3-3.0 3.0=100 HB ILE 97 - HG LEU 64 far 0 61 0 - 6.3-8.2 HB VAL 32 - HG LEU 64 far 0 84 0 - 8.2-9.9 HB2 ARG 118 - HG LEU 114 far 0 75 0 - 8.5-10.5 HB ILE 97 - HG LEU 90 far 0 60 0 - 8.6-12.2 HG2 ARG 105 - HG LEU 90 far 0 71 0 - 9.2-12.3 HB2 LYS 19 - HG LEU 114 far 0 87 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 114 + HG LEU 114 OK 77 77 100 100 2.1-2.1 2.1=100 QD2 LEU 82 - HG LEU 64 poor 10 90 55 21 3.5-8.1 9982/9691=7...(5) QD2 LEU 82 - HG LEU 90 far 4 88 5 - 4.3-7.5 QG2 ILE 71 - HG LEU 64 far 0 100 0 - 7.6-9.9 QD1 LEU 64 - HG LEU 90 far 0 99 0 - 8.6-11.4 QG1 VAL 29 - HG LEU 114 far 0 64 0 - 9.5-12.7 QD1 LEU 74 - HG LEU 64 far 0 100 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 4778 from cnoeabs.peaks (0.78, 1.64, 26.77 ppm; 2.95 A): 2 out of 16 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 80 + HG LEU 64 OK 42 96 90 49 2.2-5.5 4785/2.1=14, 4764/3.0=11...(11) QD2 LEU 80 - HG LEU 64 poor 19 97 45 45 2.3-6.1 4785/2.1=10, ~4785=6...(13) QD1 LEU 82 - HG LEU 90 poor 12 98 25 48 3.7-7.0 10100/10096=22...(11) QD1 LEU 82 - HG LEU 64 far 0 99 0 - 4.9-7.0 QD1 LEU 81 - HG LEU 114 far 0 83 0 - 5.7-7.4 QD1 ILE 7 - HG LEU 64 far 0 73 0 - 6.4-8.6 QD2 LEU 80 - HG LEU 90 far 0 96 0 - 6.4-12.7 QD1 ILE 7 - HG LEU 114 far 0 57 0 - 6.9-9.5 QD1 LEU 80 - HG LEU 90 far 0 94 0 - 7.7-11.0 QD1 ILE 15 - HG LEU 114 far 0 47 0 - 8.4-11.2 QD1 LEU 81 - HG LEU 64 far 0 98 0 - 8.4-10.4 QD1 ILE 15 - HG LEU 64 far 0 61 0 - 8.7-11.5 QD1 LEU 81 - HG LEU 90 far 0 97 0 - 8.7-10.3 QD2 LEU 64 - HG LEU 90 far 0 99 0 - 9.4-13.1 QG1 VAL 29 - HG LEU 114 far 0 54 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 4779 from cnoeabs.peaks (7.63, 0.81, 24.93 ppm; 4.20 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-4.3 1420=100, 1421/2.1=83...(11) H LYS 115 + QD1 LEU 114 OK 56 56 100 99 2.5-4.9 4.9=64, 7886/2.1=56...(14) H GLU 69 + QD1 LEU 64 OK 30 100 55 55 5.2-7.9 4.9/11269=31...(3) H GLN 100 - QD1 LEU 64 far 0 100 0 - 7.7-10.3 HD21 ASN 10 - QD1 LEU 64 far 0 77 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 4780 from cnoeabs.peaks (3.91, 0.81, 24.93 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 3.4-4.0 4756=100, 4757/2.1=67...(17) HA ARG 118 - QD1 LEU 114 far 0 45 0 - 5.5-9.1 HA LEU 38 - QD1 LEU 64 far 0 99 0 - 9.1-10.3 Violated in 19 structures by 0.17 A. Peak 4781 from cnoeabs.peaks (1.79, 0.81, 24.93 ppm; 3.09 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-3.2 3.1=95, 3.0/4756=44...(19) HB ILE 97 - QD1 LEU 64 far 3 61 5 - 4.4-6.6 HB2 ARG 118 - QD1 LEU 114 far 0 54 0 - 5.2-9.1 HB VAL 32 - QD1 LEU 64 far 0 84 0 - 7.2-9.0 HB2 LYS 19 - QD1 LEU 114 far 0 65 0 - 8.2-9.7 HG12 ILE 5 - QD1 LEU 64 far 0 65 0 - 8.4-12.4 HG2 ARG 105 - QD1 LEU 64 far 0 73 0 - 8.7-13.0 HG2 ARG 105 - QD1 LEU 114 far 0 40 0 - 8.9-12.1 HB2 LEU 90 - QD1 LEU 64 far 0 84 0 - 9.8-11.7 HG12 ILE 5 - QD1 LEU 114 far 0 35 0 - 9.9-13.9 Violated in 13 structures by 0.02 A. Peak 4782 from cnoeabs.peaks (1.63, 0.81, 24.93 ppm; 2.72 A): 2 out of 9 assignments used, quality = 0.99: * HB3 LEU 64 + QD1 LEU 64 OK 96 100 100 96 1.9-2.8 3.1=65, 1.8/4781=54...(12) HG LEU 64 + QD1 LEU 64 OK 84 84 100 100 2.1-2.1 2.1=100 HB2 LEU 82 - QD1 LEU 64 far 0 96 0 - 4.9-7.8 HG LEU 63 - QD1 LEU 64 far 0 94 0 - 5.8-8.1 HB ILE 116 - QD1 LEU 114 far 0 65 0 - 6.1-8.3 HG2 LYS 16 - QD1 LEU 114 far 0 65 0 - 6.5-10.8 HB ILE 5 - QD1 LEU 64 far 0 70 0 - 7.6-11.1 HG LEU 90 - QD1 LEU 64 far 0 92 0 - 8.6-11.4 HB ILE 116 - QD1 LEU 64 far 0 100 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 4783 from cnoeabs.peaks (1.64, 0.81, 24.93 ppm; 2.72 A): 4 out of 13 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD1 LEU 64 OK 81 84 100 96 1.9-2.8 3.1=65, 1.8/4781=54...(12) HG LEU 114 + QD1 LEU 114 OK 56 56 100 100 2.1-2.1 2.1=100 HD3 LYS 65 + QD1 LEU 64 OK 21 94 55 41 2.0-7.3 ~10805=15, 3.4/10806=10...(7) HD2 LYS 65 - QD1 LEU 64 poor 20 87 55 41 1.9-7.8 ~10805=15, 3.4/10806=10...(7) HD2 LYS 115 - QD1 LEU 114 poor 9 45 20 - 2.2-8.7 HD3 LYS 115 - QD1 LEU 114 far 6 38 15 - 1.9-8.3 HB ILE 116 - QD1 LEU 114 far 0 50 0 - 6.1-8.3 HG2 LYS 16 - QD1 LEU 114 far 0 43 0 - 6.5-10.8 HB ILE 5 - QD1 LEU 64 far 0 99 0 - 7.6-11.1 HG LEU 90 - QD1 LEU 64 far 0 100 0 - 8.6-11.4 HB ILE 116 - QD1 LEU 64 far 0 87 0 - 9.0-12.6 HB2 ARG 30 - QD1 LEU 64 far 0 87 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. 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): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.0 2.1=100 QD1 LEU 80 + QD1 LEU 64 OK 28 96 95 30 1.8-4.6 4778/2.1=10, 4764/4781=7...(8) QD2 LEU 80 + QD1 LEU 64 OK 20 97 75 28 1.8-5.3 4778/2.1=5, ~4778=4...(11) QD1 LEU 82 - QD1 LEU 64 far 15 99 15 - 3.4-5.8 QD1 ILE 7 - QD1 LEU 64 far 0 73 0 - 4.7-8.2 QD1 LEU 81 - QD1 LEU 114 far 0 61 0 - 5.5-7.0 QD1 LEU 81 - QD1 LEU 64 far 0 98 0 - 6.3-9.4 QD1 ILE 7 - QD1 LEU 114 far 0 40 0 - 6.8-8.4 QD1 ILE 15 - QD1 LEU 114 far 0 33 0 - 7.4-9.9 QD1 ILE 15 - QD1 LEU 64 far 0 61 0 - 7.7-10.0 QG1 VAL 29 - QD1 LEU 114 far 0 38 0 - 8.1-10.3 QG1 VAL 29 - QD1 LEU 64 far 0 70 0 - 8.9-12.4 Violated in 0 structures by 0.00 A. Peak 4786 from cnoeabs.peaks (7.63, 0.78, 24.57 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.2-4.1 1421=100, 1420/2.1=87...(12) H GLU 69 + QD2 LEU 64 OK 59 100 85 69 4.4-6.3 3.6/9759=43...(5) H GLN 100 - QD2 LEU 64 far 0 100 0 - 7.5-9.3 HD21 ASN 10 - QD2 LEU 64 far 0 77 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 4787 from cnoeabs.peaks (3.91, 0.78, 24.57 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.0-3.6 4757=100, 4756/2.1=72...(21) HA LEU 38 - QD2 LEU 64 far 0 99 0 - 7.9-10.0 HB2 SER 35 - QD2 LEU 64 far 0 87 0 - 9.5-12.3 Violated in 4 structures by 0.01 A. Peak 4788 from cnoeabs.peaks (1.79, 0.78, 24.57 ppm; 3.27 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 HB ILE 97 - QD2 LEU 64 poor 12 61 20 - 4.4-6.8 HB VAL 32 - QD2 LEU 64 far 0 84 0 - 7.0-9.0 HG12 ILE 5 - QD2 LEU 64 far 0 65 0 - 8.8-12.7 HG2 ARG 105 - QD2 LEU 64 far 0 73 0 - 9.8-13.2 HB2 LEU 90 - QD2 LEU 64 far 0 84 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 4789 from cnoeabs.peaks (1.63, 0.78, 24.57 ppm; 2.83 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LEU 64 + QD2 LEU 64 OK 96 100 100 96 2.0-3.2 3.1=73, 3.0/4757=36...(13) HG LEU 64 + QD2 LEU 64 OK 84 84 100 100 2.1-2.1 2.1=100 HB2 LEU 82 - QD2 LEU 64 far 0 96 0 - 5.8-8.3 HG LEU 63 - QD2 LEU 64 far 0 94 0 - 6.0-7.9 HB ILE 5 - QD2 LEU 64 far 0 70 0 - 8.1-11.3 HD3 LYS 77 - QD2 LEU 64 far 0 98 0 - 9.4-13.3 HG LEU 90 - QD2 LEU 64 far 0 92 0 - 9.4-13.1 HD2 LYS 77 - QD2 LEU 64 far 0 99 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 4790 from cnoeabs.peaks (1.64, 0.78, 24.57 ppm; 2.83 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 80 84 100 96 2.0-3.2 3.1=73, 3.0/4757=36...(11) HD2 LYS 65 + QD2 LEU 64 OK 32 87 60 62 1.9-7.1 3.0/10805=35...(7) HD3 LYS 65 + QD2 LEU 64 OK 26 94 45 62 2.5-6.6 3.0/10805=35...(7) HB ILE 5 - QD2 LEU 64 far 0 99 0 - 8.1-11.3 HB2 ARG 30 - QD2 LEU 64 far 0 87 0 - 9.3-12.6 HD3 LYS 77 - QD2 LEU 64 far 0 61 0 - 9.4-13.3 HG LEU 90 - QD2 LEU 64 far 0 100 0 - 9.4-13.1 HD2 LYS 77 - QD2 LEU 64 far 0 65 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 4791 from cnoeabs.peaks (0.81, 0.78, 24.57 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.0 2.1=100 QD2 LEU 82 - QD2 LEU 64 poor 8 90 25 35 3.3-7.3 9970/11393=8...(10) QG2 ILE 71 - QD2 LEU 64 far 0 100 0 - 5.7-8.8 QD1 LEU 74 - QD2 LEU 64 far 0 100 0 - 7.6-11.7 QD2 LEU 74 - QD2 LEU 64 far 0 99 0 - 9.5-12.6 QG1 VAL 29 - QD2 LEU 64 far 0 81 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 65 + HA LYS 65 OK 100 100 100 100 2.7-2.9 3.0=100 H SER 72 - HA LYS 65 far 0 77 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 LYS 65 + HA LYS 65 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 65 + HA LYS 65 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LEU 70 - HA LYS 65 far 0 96 0 - 7.8-9.9 HB VAL 104 - HA LYS 65 far 0 87 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 4796 from cnoeabs.peaks (1.93, 3.79, 60.23 ppm; 2.99 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 65 + HA LYS 65 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 LYS 65 + HA LYS 65 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 70 - HA LYS 65 far 0 94 0 - 7.8-9.9 HB VAL 104 - HA LYS 65 far 0 84 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 4797 from cnoeabs.peaks (1.55, 3.79, 60.23 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 65 + HA LYS 65 OK 100 100 100 100 2.8-3.6 3.9=69, 1.8/4798=64...(38) HB VAL 78 - HA LYS 65 far 0 96 0 - 8.8-9.7 Violated in 1 structures by 0.01 A. Peak 4798 from cnoeabs.peaks (1.34, 3.79, 60.23 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 65 + HA LYS 65 OK 100 100 100 100 2.7-3.9 3.9=88, 1.8/4797=81...(40) Violated in 11 structures by 0.03 A. Peak 4799 from cnoeabs.peaks (1.65, 3.79, 60.23 ppm; 3.68 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 65 + HA LYS 65 OK 100 100 100 100 1.9-5.1 3.0/4797=60, 3.0/4798=55...(61) HD3 LYS 65 + HA LYS 65 OK 100 100 100 100 3.4-4.9 3.0/4797=60, 3.0/4798=55...(60) HG LEU 64 + HA LYS 65 OK 70 87 100 81 3.1-5.1 7619/3.0=20, ~397=20...(13) Violated in 7 structures by 0.08 A. Peak 4800 from cnoeabs.peaks (1.65, 3.79, 60.23 ppm; 3.68 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 65 + HA LYS 65 OK 100 100 100 100 3.4-4.9 3.0/4797=60, 3.0/4798=55...(60) HD2 LYS 65 + HA LYS 65 OK 100 100 100 100 1.9-5.1 3.0/4797=60, 3.0/4798=55...(61) HG LEU 64 + HA LYS 65 OK 77 94 100 82 3.1-5.1 7619/3.0=23, ~397=20...(13) Violated in 7 structures by 0.08 A. Peak 4803 from cnoeabs.peaks (8.04, 1.93, 32.27 ppm; 3.38 A): 3 out of 11 assignments used, quality = 1.00: * H LYS 65 + HB2 LYS 65 OK 99 100 100 99 2.3-3.4 4.0=61, 1426/2.9=49...(24) H LYS 65 + HB3 LYS 65 OK 99 100 100 99 2.1-3.6 4.0=61, 1426/2.9=49...(24) H GLN 122 + HB2 LYS 123 OK 29 73 70 56 4.4-6.2 776/1810=30, 2233/786=16...(6) H ARG 118 - HB3 LYS 115 far 0 83 0 - 5.0-5.9 H ARG 118 - HB2 LYS 115 far 0 75 0 - 5.3-5.9 H ASP 109 - HB2 LYS 115 far 0 92 0 - 8.3-10.7 H ASP 109 - HB3 LYS 115 far 0 98 0 - 8.5-10.6 H ARG 118 - HB2 LYS 123 far 0 86 0 - 8.7-11.2 H SER 72 - HB3 LYS 65 far 0 77 0 - 9.1-10.9 H GLN 122 - HB3 LYS 115 far 0 69 0 - 9.6-11.6 H SER 72 - HB2 LYS 65 far 0 77 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4804 from cnoeabs.peaks (3.79, 1.93, 32.27 ppm; 3.11 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.4-2.9 3.0=100 HA LYS 115 + HB3 LYS 115 OK 95 95 100 100 2.2-2.8 3.0=100 HA LYS 115 + HB2 LYS 115 OK 88 88 100 100 2.2-3.0 3.0=100 HA ALA 113 - HB2 LYS 115 far 0 88 0 - 5.0-7.1 HA ALA 113 - HB3 LYS 115 far 0 95 0 - 5.4-7.2 HA LEU 68 - HB2 LYS 65 far 0 77 0 - 7.1-8.3 HA LEU 68 - HB3 LYS 65 far 0 77 0 - 7.1-8.0 HB2 SER 58 - HB2 LYS 65 far 0 81 0 - 8.0-10.9 HB2 SER 58 - HB3 LYS 65 far 0 80 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 4805 from cnoeabs.peaks (1.93, 1.93, 32.27 ppm; diagonal): 8 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): 8 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 8 assignments used, quality = 1.00: * HG2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.4-3.0 2.9=95, 4797/3.0=36...(47) HG2 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.6-3.0 2.9=95, 4797/3.0=36...(47) HG2 LYS 115 + HB3 LYS 115 OK 82 83 100 99 2.6-3.0 3.0=91, 6703/3.0=26...(44) HG2 LYS 115 + HB2 LYS 115 OK 74 75 100 99 2.3-3.0 3.0=91, 6703/3.0=26...(44) QB ALA 46 - HB3 LYS 40 far 0 69 0 - 7.1-7.6 QB ALA 46 - HB3 LYS 39 far 0 42 0 - 7.8-9.5 QB ALA 46 - HB2 LYS 39 far 0 79 0 - 8.9-10.4 HG12 ILE 3 - HB2 LYS 123 far 0 86 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 4808 from cnoeabs.peaks (1.34, 1.93, 32.27 ppm; 3.19 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 77 - HB2 LYS 123 far 0 89 0 - 5.7-8.5 HG LEU 81 - HB2 LYS 115 far 0 92 0 - 8.3-9.8 HG LEU 81 - HB3 LYS 115 far 0 98 0 - 8.8-10.2 HB3 LEU 81 - HB2 LYS 115 far 0 75 0 - 9.3-11.2 HB3 LEU 81 - HB3 LYS 115 far 0 83 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 4809 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 14 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.4-3.8 3.4=47, 4848/2.9=20...(92) HD3 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.0-3.9 3.4=47, 4858/2.9=20...(91) HD2 LYS 115 + HB3 LYS 115 OK 94 98 100 96 2.1-3.8 3.7=36, 6705/3.0=15...(72) * HD2 LYS 65 + HB2 LYS 65 OK 93 100 95 98 2.1-4.2 3.4=47, 4848/2.9=20...(91) HD3 LYS 115 + HB3 LYS 115 OK 93 96 100 96 2.4-3.7 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB2 LYS 115 OK 69 89 80 96 2.5-4.2 3.7=36, 6705/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 66 92 75 96 2.1-4.2 3.7=36, 6705/3.0=15...(72) HD3 LYS 65 + HB2 LYS 65 OK 44 100 45 98 2.2-4.2 3.4=47, 4858/2.9=20...(90) HG LEU 114 - HB2 LYS 115 far 9 91 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 97 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 4 87 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 87 0 - 4.5-6.8 HB2 ARG 30 - HB3 LYS 40 far 0 69 0 - 8.3-11.0 HB2 GLU 52 - HB3 LYS 40 far 0 68 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 4810 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 14 assignments used, quality = 1.00: HD3 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.0-3.9 3.4=47, 4858/2.9=20...(92) HD2 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.4-3.8 3.4=47, 4848/2.9=20...(92) HD2 LYS 65 + HB2 LYS 65 OK 93 100 95 98 2.1-4.2 3.4=47, 4848/2.9=20...(91) HD2 LYS 115 + HB3 LYS 115 OK 92 96 100 96 2.1-3.8 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB3 LYS 115 OK 89 92 100 96 2.4-3.7 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB2 LYS 115 OK 65 85 80 96 2.5-4.2 3.7=36, 6705/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 64 89 75 96 2.1-4.2 3.7=36, 6705/3.0=14...(72) * HD3 LYS 65 + HB2 LYS 65 OK 44 100 45 98 2.2-4.2 3.4=47, 4858/2.9=20...(91) HG LEU 114 - HB2 LYS 115 far 9 92 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 98 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 5 94 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 94 0 - 4.5-6.8 HB2 ARG 30 - HB3 LYS 40 far 0 68 0 - 8.3-11.0 HB2 GLU 52 - HB3 LYS 40 far 0 66 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 4811 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 8 out of 23 assignments used, quality = 1.00: * HE2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.2-5.3 4.8=58, 4878/2.9=34...(81) HE3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.3-5.1 4.8=58, 4878/2.9=34...(81) HE3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-4.6 4.8=58, 4878/2.9=34...(81) HE2 LYS 65 + HB3 LYS 65 OK 100 100 100 100 1.9-4.6 4.8=58, 4878/2.9=34...(81) HE3 LYS 115 + HB3 LYS 115 OK 94 94 100 100 2.0-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB3 LYS 115 OK 94 94 100 100 2.0-4.9 4.8=55, 6774/3.0=31...(61) HE3 LYS 115 + HB2 LYS 115 OK 86 86 100 100 3.1-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB2 LYS 115 OK 86 86 100 100 3.6-5.3 4.8=55, 6774/3.0=31...(61) HE3 LYS 44 - HB3 LYS 40 poor 19 48 95 41 2.0-5.8 6.5/8045=20, 3.7/7081=4...(13) HE2 LYS 44 - HB3 LYS 40 poor 18 48 90 41 2.0-6.3 6.5/8045=20, 3.7/7081=4...(13) HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 7.0-10.2 HE3 LYS 44 - HB3 LYS 39 far 0 29 0 - 7.1-10.8 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.2-11.5 HE2 LYS 44 - HB3 LYS 39 far 0 29 0 - 7.4-11.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.5-13.0 HE2 LYS 96 - HB3 LYS 65 far 0 80 0 - 7.8-11.0 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 8.0-13.4 HE3 LYS 96 - HB3 LYS 65 far 0 80 0 - 8.2-11.7 HB2 ASP 34 - HB3 LYS 39 far 0 38 0 - 8.2-11.1 HE3 LYS 17 - HB2 LYS 115 far 0 62 0 - 8.3-12.2 HD3 ARG 30 - HB3 LYS 40 far 0 40 0 - 8.3-12.4 HE2 LYS 96 - HB2 LYS 65 far 0 81 0 - 8.5-11.8 HE3 LYS 96 - HB2 LYS 65 far 0 81 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4812 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 8 out of 23 assignments used, quality = 1.00: HE2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.2-5.3 4.8=58, 4878/2.9=34...(81) * HE3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.3-5.1 4.8=58, 4878/2.9=34...(81) HE3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-4.6 4.8=58, 4878/2.9=34...(81) HE2 LYS 65 + HB3 LYS 65 OK 100 100 100 100 1.9-4.6 4.8=58, 4878/2.9=34...(81) HE3 LYS 115 + HB3 LYS 115 OK 94 94 100 100 2.0-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB3 LYS 115 OK 94 94 100 100 2.0-4.9 4.8=55, 6774/3.0=31...(61) HE3 LYS 115 + HB2 LYS 115 OK 86 86 100 100 3.1-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB2 LYS 115 OK 86 86 100 100 3.6-5.3 4.8=55, 6774/3.0=31...(61) HE3 LYS 44 - HB3 LYS 40 poor 19 48 95 41 2.0-5.8 6.5/8045=20, 3.7/7081=4...(13) HE2 LYS 44 - HB3 LYS 40 poor 18 48 90 41 2.0-6.3 6.5/8045=20, 3.7/7081=4...(13) HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 7.0-10.2 HE3 LYS 44 - HB3 LYS 39 far 0 29 0 - 7.1-10.8 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.2-11.5 HE2 LYS 44 - HB3 LYS 39 far 0 29 0 - 7.4-11.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.5-13.0 HE2 LYS 96 - HB3 LYS 65 far 0 80 0 - 7.8-11.0 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 8.0-13.4 HE3 LYS 96 - HB3 LYS 65 far 0 80 0 - 8.2-11.7 HB2 ASP 34 - HB3 LYS 39 far 0 38 0 - 8.2-11.1 HE3 LYS 17 - HB2 LYS 115 far 0 62 0 - 8.3-12.2 HD3 ARG 30 - HB3 LYS 40 far 0 40 0 - 8.3-12.4 HE2 LYS 96 - HB2 LYS 65 far 0 81 0 - 8.5-11.8 HE3 LYS 96 - HB2 LYS 65 far 0 81 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4813 from cnoeabs.peaks (8.04, 1.93, 32.27 ppm; 3.38 A): 3 out of 11 assignments used, quality = 1.00: H LYS 65 + HB2 LYS 65 OK 99 100 100 99 2.3-3.4 4.0=61, 1426/2.9=49...(24) * H LYS 65 + HB3 LYS 65 OK 99 100 100 99 2.1-3.6 4.0=61, 1426/2.9=49...(24) H GLN 122 + HB2 LYS 123 OK 29 72 70 57 4.4-6.2 776/1810=30, 2233/786=16...(6) H ARG 118 - HB3 LYS 115 far 0 83 0 - 5.0-5.9 H ARG 118 - HB2 LYS 115 far 0 77 0 - 5.3-5.9 H ASP 109 - HB2 LYS 115 far 0 94 0 - 8.3-10.7 H ASP 109 - HB3 LYS 115 far 0 98 0 - 8.5-10.6 H ARG 118 - HB2 LYS 123 far 0 86 0 - 8.7-11.2 H SER 72 - HB3 LYS 65 far 0 77 0 - 9.1-10.9 H GLN 122 - HB3 LYS 115 far 0 69 0 - 9.6-11.6 H SER 72 - HB2 LYS 65 far 0 77 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4814 from cnoeabs.peaks (3.79, 1.93, 32.27 ppm; 3.11 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.4-2.9 3.0=100 HA LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 115 + HB3 LYS 115 OK 95 95 100 100 2.2-2.8 3.0=100 HA LYS 115 + HB2 LYS 115 OK 90 90 100 100 2.2-3.0 3.0=100 HA ALA 113 - HB2 LYS 115 far 0 90 0 - 5.0-7.1 HA ALA 113 - HB3 LYS 115 far 0 95 0 - 5.4-7.2 HA LEU 68 - HB2 LYS 65 far 0 77 0 - 7.1-8.3 HA LEU 68 - HB3 LYS 65 far 0 77 0 - 7.1-8.0 HB2 SER 58 - HB2 LYS 65 far 0 80 0 - 8.0-10.9 HB2 SER 58 - HB3 LYS 65 far 0 81 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 4815 from cnoeabs.peaks (1.93, 1.93, 32.27 ppm; diagonal): 8 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): 8 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 8 assignments used, quality = 1.00: * HG2 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.6-3.0 2.9=95, 4797/3.0=36...(47) HG2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.4-3.0 2.9=95, 4797/3.0=36...(47) HG2 LYS 115 + HB3 LYS 115 OK 82 83 100 99 2.6-3.0 3.0=91, 6703/3.0=26...(44) HG2 LYS 115 + HB2 LYS 115 OK 77 77 100 99 2.3-3.0 3.0=91, 6703/3.0=26...(44) QB ALA 46 - HB3 LYS 40 far 0 64 0 - 7.1-7.6 QB ALA 46 - HB3 LYS 39 far 0 38 0 - 7.8-9.5 QB ALA 46 - HB2 LYS 39 far 0 78 0 - 8.9-10.4 HG12 ILE 3 - HB2 LYS 123 far 0 86 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 4818 from cnoeabs.peaks (1.34, 1.93, 32.27 ppm; 3.19 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 77 - HB2 LYS 123 far 0 89 0 - 5.7-8.5 HG LEU 81 - HB2 LYS 115 far 0 94 0 - 8.3-9.8 HG LEU 81 - HB3 LYS 115 far 0 98 0 - 8.8-10.2 HB3 LEU 81 - HB2 LYS 115 far 0 77 0 - 9.3-11.2 HB3 LEU 81 - HB3 LYS 115 far 0 83 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 4819 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 14 assignments used, quality = 1.00: * HD2 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.4-3.8 3.4=47, 4848/2.9=20...(92) HD3 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.0-3.9 3.4=47, 4858/2.9=20...(91) HD2 LYS 115 + HB3 LYS 115 OK 94 98 100 96 2.1-3.8 3.7=36, 6705/3.0=15...(72) HD2 LYS 65 + HB2 LYS 65 OK 93 100 95 98 2.1-4.2 3.4=47, 4848/2.9=20...(91) HD3 LYS 115 + HB3 LYS 115 OK 92 96 100 96 2.4-3.7 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB2 LYS 115 OK 71 91 80 96 2.5-4.2 3.7=36, 6705/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 68 94 75 96 2.1-4.2 3.7=36, 6705/3.0=15...(72) HD3 LYS 65 + HB2 LYS 65 OK 44 100 45 98 2.2-4.2 3.4=47, 4858/2.9=20...(90) HG LEU 114 - HB2 LYS 115 far 9 93 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 97 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 4 87 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 87 0 - 4.5-6.8 HB2 ARG 30 - HB3 LYS 40 far 0 64 0 - 8.3-11.0 HB2 GLU 52 - HB3 LYS 40 far 0 64 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 4820 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 14 assignments used, quality = 1.00: * HD3 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.0-3.9 3.4=47, 4858/2.9=20...(92) HD2 LYS 65 + HB3 LYS 65 OK 98 100 100 98 2.4-3.8 3.4=47, 4848/2.9=20...(92) HD2 LYS 65 + HB2 LYS 65 OK 93 100 95 98 2.1-4.2 3.4=47, 4848/2.9=20...(91) HD2 LYS 115 + HB3 LYS 115 OK 92 96 100 96 2.1-3.8 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB3 LYS 115 OK 88 92 100 96 2.4-3.7 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB2 LYS 115 OK 67 87 80 96 2.5-4.2 3.7=36, 6705/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 66 91 75 96 2.1-4.2 3.7=36, 6705/3.0=14...(72) HD3 LYS 65 + HB2 LYS 65 OK 44 100 45 98 2.2-4.2 3.4=47, 4858/2.9=20...(92) HG LEU 114 - HB2 LYS 115 far 9 94 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 98 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 5 94 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 94 0 - 4.5-6.8 HB2 ARG 30 - HB3 LYS 40 far 0 63 0 - 8.3-11.0 HB2 GLU 52 - HB3 LYS 40 far 0 61 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 8 out of 23 assignments used, quality = 1.00: HE3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-4.6 4.8=58, 4878/2.9=34...(81) * HE2 LYS 65 + HB3 LYS 65 OK 100 100 100 100 1.9-4.6 4.8=58, 4878/2.9=34...(81) HE2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.2-5.3 4.8=58, 4878/2.9=34...(81) HE3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.3-5.1 4.8=58, 4878/2.9=34...(81) HE3 LYS 115 + HB3 LYS 115 OK 93 93 100 100 2.0-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB3 LYS 115 OK 93 93 100 100 2.0-4.9 4.8=55, 6774/3.0=31...(61) HE3 LYS 115 + HB2 LYS 115 OK 89 89 100 100 3.1-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB2 LYS 115 OK 89 89 100 100 3.6-5.3 4.8=55, 6774/3.0=31...(61) HE3 LYS 44 - HB3 LYS 40 poor 17 45 95 40 2.0-5.8 6.5/8045=19, 3.7/7081=4...(13) HE2 LYS 44 - HB3 LYS 40 poor 16 45 90 40 2.0-6.3 6.5/8045=19, 3.7/7081=4...(13) HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 7.0-10.2 HE3 LYS 44 - HB3 LYS 39 far 0 26 0 - 7.1-10.8 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.2-11.5 HE2 LYS 44 - HB3 LYS 39 far 0 26 0 - 7.4-11.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.5-13.0 HE2 LYS 96 - HB3 LYS 65 far 0 81 0 - 7.8-11.0 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 8.0-13.4 HE3 LYS 96 - HB3 LYS 65 far 0 81 0 - 8.2-11.7 HB2 ASP 34 - HB3 LYS 39 far 0 35 0 - 8.2-11.1 HE3 LYS 17 - HB2 LYS 115 far 0 64 0 - 8.3-12.2 HD3 ARG 30 - HB3 LYS 40 far 0 37 0 - 8.3-12.4 HE2 LYS 96 - HB2 LYS 65 far 0 80 0 - 8.5-11.8 HE3 LYS 96 - HB2 LYS 65 far 0 80 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4822 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 8 out of 23 assignments used, quality = 1.00: * HE3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-4.6 4.8=58, 4878/2.9=34...(81) HE2 LYS 65 + HB3 LYS 65 OK 100 100 100 100 1.9-4.6 4.8=58, 4878/2.9=34...(81) HE2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.2-5.3 4.8=58, 4878/2.9=34...(81) HE3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.3-5.1 4.8=58, 4878/2.9=34...(81) HE3 LYS 115 + HB3 LYS 115 OK 93 93 100 100 2.0-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB3 LYS 115 OK 93 93 100 100 2.0-4.9 4.8=55, 6774/3.0=31...(61) HE3 LYS 115 + HB2 LYS 115 OK 89 89 100 100 3.1-5.0 4.8=55, 6774/3.0=31...(61) HE2 LYS 115 + HB2 LYS 115 OK 89 89 100 100 3.6-5.3 4.8=55, 6774/3.0=31...(61) HE3 LYS 44 - HB3 LYS 40 poor 17 45 95 40 2.0-5.8 6.5/8045=19, 3.7/7081=4...(13) HE2 LYS 44 - HB3 LYS 40 poor 16 45 90 40 2.0-6.3 6.5/8045=19, 3.7/7081=4...(13) HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 7.0-10.2 HE3 LYS 44 - HB3 LYS 39 far 0 26 0 - 7.1-10.8 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.2-11.5 HE2 LYS 44 - HB3 LYS 39 far 0 26 0 - 7.4-11.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 7.5-13.0 HE2 LYS 96 - HB3 LYS 65 far 0 81 0 - 7.8-11.0 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 8.0-13.4 HE3 LYS 96 - HB3 LYS 65 far 0 81 0 - 8.2-11.7 HB2 ASP 34 - HB3 LYS 39 far 0 35 0 - 8.2-11.1 HE3 LYS 17 - HB2 LYS 115 far 0 64 0 - 8.3-12.2 HD3 ARG 30 - HB3 LYS 40 far 0 37 0 - 8.3-12.4 HE2 LYS 96 - HB2 LYS 65 far 0 80 0 - 8.5-11.8 HE3 LYS 96 - HB2 LYS 65 far 0 80 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4823 from cnoeabs.peaks (8.04, 1.55, 24.91 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 65 + HG2 LYS 65 OK 100 100 100 100 1.9-4.3 1426=100, 1427/1.8=74...(19) H ARG 118 - HG2 LYS 115 poor 13 57 45 50 5.1-6.6 8261/3.9=41, 391/1753=13 H ASP 109 - HG2 LYS 115 far 0 73 0 - 7.6-9.9 H SER 72 - HG2 LYS 65 far 0 77 0 - 8.6-11.5 H THR 9 - HG2 LYS 65 far 0 98 0 - 9.6-14.0 H GLN 122 - HG2 LYS 115 far 0 46 0 - 9.7-12.5 Violated in 1 structures by 0.01 A. Peak 4824 from cnoeabs.peaks (3.79, 1.55, 24.91 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.8-3.6 4797=100, 4798/1.8=70...(38) HA LYS 115 + HG2 LYS 115 OK 69 69 100 100 3.3-3.7 6703=80, 3.0/1753=49...(38) HA ALA 113 - HG2 LYS 115 poor 15 69 50 45 4.2-5.7 8251/729=23...(5) HA LEU 68 - HG2 LYS 65 far 0 77 0 - 6.9-8.5 HB2 SER 58 - HG2 LYS 65 far 0 81 0 - 7.0-10.6 Violated in 0 structures by 0.00 A. Peak 4825 from cnoeabs.peaks (1.93, 1.55, 24.91 ppm; 2.98 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 LYS 115 + HG2 LYS 115 OK 73 73 100 100 2.6-3.0 3.0=100 HB2 LYS 115 + HG2 LYS 115 OK 69 69 100 100 2.3-3.0 3.0=100 HB2 LEU 81 - HG2 LYS 115 far 0 49 0 - 7.5-10.9 HB3 LYS 17 - HG2 LYS 115 far 0 57 0 - 8.4-12.2 HB2 LEU 70 - HG2 LYS 65 far 0 96 0 - 9.7-12.7 HB VAL 104 - HG2 LYS 65 far 0 87 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 4826 from cnoeabs.peaks (1.93, 1.55, 24.91 ppm; 2.98 A): 4 out of 8 assignments used, quality = 1.00: * HB3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 115 + HG2 LYS 115 OK 73 73 100 100 2.6-3.0 3.0=100 HB2 LYS 115 + HG2 LYS 115 OK 70 70 100 100 2.3-3.0 3.0=100 HB2 LEU 81 - HG2 LYS 115 far 0 52 0 - 7.5-10.9 HB3 LYS 17 - HG2 LYS 115 far 0 60 0 - 8.4-12.2 HB2 LEU 70 - HG2 LYS 65 far 0 94 0 - 9.7-12.7 HB VAL 104 - HG2 LYS 65 far 0 84 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 81 - HG2 LYS 115 far 0 73 0 - 7.4-9.0 HB3 LEU 81 - HG2 LYS 115 far 0 57 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 4829 from cnoeabs.peaks (1.65, 1.55, 24.91 ppm; 2.45 A): 4 out of 6 assignments used, quality = 1.00: * HD2 LYS 65 + HG2 LYS 65 OK 96 100 100 96 2.3-3.0 3.0=57, 4848/1.8=25...(51) HD3 LYS 65 + HG2 LYS 65 OK 96 100 100 96 2.3-3.0 3.0=57, 4858/1.8=25...(51) HD2 LYS 115 + HG2 LYS 115 OK 67 73 100 92 2.3-3.0 2.9=60, 1.8/6763=14...(46) HD3 LYS 115 + HG2 LYS 115 OK 65 70 100 92 2.2-3.0 2.9=60, 1.8/6763=14...(46) HG LEU 114 - HG2 LYS 115 far 4 72 5 - 2.9-8.5 HG LEU 64 - HG2 LYS 65 far 0 87 0 - 4.4-7.9 Violated in 0 structures by 0.00 A. Peak 4830 from cnoeabs.peaks (1.65, 1.55, 24.91 ppm; 2.45 A): 4 out of 6 assignments used, quality = 1.00: * HD3 LYS 65 + HG2 LYS 65 OK 96 100 100 96 2.3-3.0 3.0=57, 4858/1.8=25...(51) HD2 LYS 65 + HG2 LYS 65 OK 96 100 100 96 2.3-3.0 3.0=57, 4848/1.8=25...(51) HD2 LYS 115 + HG2 LYS 115 OK 65 70 100 92 2.3-3.0 2.9=60, 1.8/6763=14...(46) HD3 LYS 115 + HG2 LYS 115 OK 61 66 100 92 2.2-3.0 2.9=60, 1.8/6763=14...(46) HG LEU 114 - HG2 LYS 115 far 4 73 5 - 2.9-8.5 HG LEU 64 - HG2 LYS 65 far 0 94 0 - 4.4-7.9 Violated in 0 structures by 0.00 A. Peak 4831 from cnoeabs.peaks (2.92, 1.55, 24.91 ppm; 3.63 A): 4 out of 7 assignments used, quality = 1.00: HE3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.2-4.2 3.7=94, 4868/1.8=38...(63) * HE2 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.8-4.1 3.7=94, 4868/1.8=38...(63) HE2 LYS 115 + HG2 LYS 115 OK 68 68 100 100 2.1-4.2 3.7=95, 6784/1.8=35...(60) HE3 LYS 115 + HG2 LYS 115 OK 68 68 100 100 2.3-4.2 3.7=95, 6784/1.8=35...(60) HE2 LYS 96 - HG2 LYS 65 far 0 81 0 - 7.7-12.6 HE3 LYS 17 - HG2 LYS 115 far 0 46 0 - 7.9-13.9 HE3 LYS 96 - HG2 LYS 65 far 0 81 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 4832 from cnoeabs.peaks (2.92, 1.55, 24.91 ppm; 3.63 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.2-4.2 3.7=94, 4868/1.8=38...(63) HE2 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.8-4.1 3.7=94, 4868/1.8=38...(63) HE2 LYS 115 + HG2 LYS 115 OK 68 68 100 100 2.1-4.2 3.7=95, 6784/1.8=35...(60) HE3 LYS 115 + HG2 LYS 115 OK 68 68 100 100 2.3-4.2 3.7=95, 6784/1.8=35...(60) HE2 LYS 96 - HG2 LYS 65 far 0 81 0 - 7.7-12.6 HE3 LYS 17 - HG2 LYS 115 far 0 46 0 - 7.9-13.9 HE3 LYS 96 - HG2 LYS 65 far 0 81 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 4833 from cnoeabs.peaks (8.04, 1.34, 24.91 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + HG3 LYS 65 OK 100 100 100 100 3.2-4.6 1427=100, 1426/1.8=97...(20) H SER 72 - HG3 LYS 65 far 0 77 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 4834 from cnoeabs.peaks (3.79, 1.34, 24.91 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.7-3.9 3.9=100 HA LEU 68 - HG3 LYS 65 far 0 77 0 - 7.7-9.5 HB2 SER 58 - HG3 LYS 65 far 0 81 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 4835 from cnoeabs.peaks (1.93, 1.34, 24.91 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.3-3.0 2.9=100 HB VAL 104 - HG3 LYS 65 far 0 87 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 4836 from cnoeabs.peaks (1.93, 1.34, 24.91 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.2-3.0 2.9=100 HB VAL 104 - HG3 LYS 65 far 0 84 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 4837 from cnoeabs.peaks (1.55, 1.34, 24.91 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HG3 LYS 65 far 0 87 0 - 10.0-16.3 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/4858=34...(85) HD3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.4-3.0 3.0=95, 1.8/4848=34...(85) HG LEU 64 - HG3 LYS 65 far 0 87 0 - 5.1-8.1 Violated in 0 structures by 0.00 A. Peak 4840 from cnoeabs.peaks (1.65, 1.34, 24.91 ppm; 2.91 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.4-3.0 3.0=95, 1.8/4848=34...(85) HD2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/4858=34...(85) HG LEU 64 - HG3 LYS 65 far 0 94 0 - 5.1-8.1 Violated in 0 structures by 0.00 A. Peak 4841 from cnoeabs.peaks (2.92, 1.34, 24.91 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.1-3.7 3.7=100 * HE2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 96 - HG3 LYS 65 far 0 81 0 - 6.6-11.3 HE3 LYS 96 - HG3 LYS 65 far 0 81 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 4842 from cnoeabs.peaks (2.92, 1.34, 24.91 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.1-3.7 3.7=100 HE2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.2-3.9 3.7=100 HE2 LYS 96 - HG3 LYS 65 far 0 81 0 - 6.6-11.3 HE3 LYS 96 - HG3 LYS 65 far 0 81 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 4843 from cnoeabs.peaks (8.04, 1.65, 29.50 ppm; 4.33 A): 2 out of 11 assignments used, quality = 1.00: * H LYS 65 + HD2 LYS 65 OK 100 100 100 100 3.6-5.0 1426/3.0=74, 1427/3.0=64...(23) H LYS 65 + HD3 LYS 65 OK 99 99 100 100 3.5-4.8 1426/3.0=74, 1427/3.0=64...(23) H ARG 118 - HD2 LYS 115 poor 17 85 20 - 5.4-7.6 H ARG 118 - HD3 LYS 115 poor 9 80 25 45 5.0-7.9 8261/4.9=34, 391/6.0=9 H ASP 109 - HD2 LYS 115 far 0 99 0 - 7.4-10.8 H ASP 109 - HD3 LYS 115 far 0 96 0 - 7.7-10.6 H VAL 22 - HD2 LYS 115 far 0 99 0 - 8.5-14.2 H SER 72 - HD2 LYS 65 far 0 77 0 - 8.9-13.3 H GLN 122 - HD3 LYS 115 far 0 67 0 - 9.2-13.2 H VAL 22 - HD3 LYS 115 far 0 96 0 - 9.3-14.1 H GLN 122 - HD2 LYS 115 far 0 71 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4844 from cnoeabs.peaks (3.79, 1.65, 29.50 ppm; 3.86 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 65 + HD2 LYS 65 OK 100 100 100 100 1.9-5.1 4797/3.0=65, 4798/3.0=60...(61) HA LYS 65 + HD3 LYS 65 OK 99 99 100 100 3.4-4.9 4797/3.0=65, 4798/3.0=60...(60) HA LYS 115 + HD2 LYS 115 OK 96 96 100 100 2.4-5.0 6703/2.9=64, 6705=50...(63) HA LYS 115 + HD3 LYS 115 OK 93 93 100 100 2.2-5.1 6703/2.9=64, 4.9=48...(64) HA ALA 113 - HD2 LYS 115 far 5 96 5 - 4.3-8.2 HA ALA 113 - HD3 LYS 115 far 5 93 5 - 4.6-8.4 HA LEU 68 - HD2 LYS 65 far 0 77 0 - 6.4-10.3 HA LEU 68 - HD3 LYS 65 far 0 75 0 - 7.8-10.7 HB2 SER 58 - HD2 LYS 65 far 0 81 0 - 8.4-11.2 HB2 SER 58 - HD3 LYS 65 far 0 79 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 4845 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: * HB2 LYS 65 + HD2 LYS 65 OK 99 100 100 99 2.1-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 65 + HD2 LYS 65 OK 99 100 100 99 2.4-3.8 3.4=56, 2.9/4848=22...(94) HB2 LYS 65 + HD3 LYS 65 OK 99 99 100 99 2.2-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 65 + HD3 LYS 65 OK 99 99 100 99 2.0-3.9 3.4=56, 2.9/4848=22...(94) HB3 LYS 115 + HD2 LYS 115 OK 97 99 100 98 2.1-3.8 3.7=43, 3.0/6705=17...(73) HB2 LYS 115 + HD2 LYS 115 OK 95 96 100 98 2.1-4.2 3.7=43, 3.0/6705=17...(73) HB3 LYS 115 + HD3 LYS 115 OK 94 96 100 98 2.4-3.7 3.7=43, 3.0/6705=16...(72) HB2 LYS 115 + HD3 LYS 115 OK 91 93 100 98 2.5-4.2 3.7=43, 3.0/6705=16...(72) HB3 LYS 17 - HD2 LYS 115 far 0 85 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 80 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 85 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 87 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 70 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 75 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 96 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 4846 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: HB2 LYS 65 + HD2 LYS 65 OK 99 100 100 99 2.1-4.2 3.4=56, 2.9/4848=22...(94) * HB3 LYS 65 + HD2 LYS 65 OK 99 100 100 99 2.4-3.8 3.4=56, 2.9/4848=22...(94) HB2 LYS 65 + HD3 LYS 65 OK 99 99 100 99 2.2-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 65 + HD3 LYS 65 OK 99 99 100 99 2.0-3.9 3.4=56, 2.9/4848=22...(94) HB3 LYS 115 + HD2 LYS 115 OK 97 99 100 98 2.1-3.8 3.7=43, 3.0/6705=17...(73) HB2 LYS 115 + HD2 LYS 115 OK 96 97 100 98 2.1-4.2 3.7=43, 3.0/6705=17...(73) HB3 LYS 115 + HD3 LYS 115 OK 94 96 100 98 2.4-3.7 3.7=43, 3.0/6705=16...(72) HB2 LYS 115 + HD3 LYS 115 OK 92 94 100 98 2.5-4.2 3.7=43, 3.0/6705=16...(72) HB3 LYS 17 - HD2 LYS 115 far 0 87 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 83 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 82 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 84 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 74 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 78 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 94 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 4847 from cnoeabs.peaks (1.55, 1.65, 29.50 ppm; 2.40 A): 4 out of 5 assignments used, quality = 1.00: * HG2 LYS 65 + HD2 LYS 65 OK 95 100 100 95 2.3-3.0 3.0=53, 1.8/4848=23...(44) HG2 LYS 65 + HD3 LYS 65 OK 95 99 100 96 2.3-3.0 3.0=53, 1.8/4848=23...(44) HG2 LYS 115 + HD2 LYS 115 OK 77 85 100 91 2.3-3.0 2.9=56, 6736/1.8=14...(41) HG2 LYS 115 + HD3 LYS 115 OK 73 80 100 91 2.2-3.0 2.9=56, 6736/1.8=14...(41) HB VAL 78 - HD2 LYS 65 far 0 96 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 4848 from cnoeabs.peaks (1.34, 1.65, 29.50 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 65 + HD2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=90, 4840/1.8=32...(85) HG3 LYS 65 + HD3 LYS 65 OK 99 99 100 100 2.4-3.0 3.0=90, 4839/1.8=32...(85) HG LEU 81 - HD3 LYS 115 far 0 96 0 - 7.8-11.7 HG LEU 81 - HD2 LYS 115 far 0 99 0 - 7.8-11.3 HB3 LEU 81 - HD3 LYS 115 far 0 80 0 - 9.8-13.2 HB3 LEU 81 - HD2 LYS 115 far 0 85 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HE2 LYS 65 + HD2 LYS 65 OK 98 100 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE3 LYS 65 + HD2 LYS 65 OK 98 100 100 98 2.4-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 65 + HD3 LYS 65 OK 97 99 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE3 LYS 65 + HD3 LYS 65 OK 97 99 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 115 + HD2 LYS 115 OK 91 95 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD2 LYS 115 OK 91 95 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 115 + HD3 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD3 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 96 - HD3 LYS 65 far 0 79 0 - 5.9-11.4 HE3 LYS 17 - HD2 LYS 115 far 0 71 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 67 0 - 6.4-14.4 HE3 LYS 96 - HD3 LYS 65 far 0 79 0 - 6.6-12.9 HE2 LYS 96 - HD2 LYS 65 far 0 81 0 - 7.1-11.6 HE3 LYS 96 - HD2 LYS 65 far 0 81 0 - 7.4-12.9 Violated in 0 structures by 0.00 A. Peak 4852 from cnoeabs.peaks (2.92, 1.65, 29.50 ppm; 2.69 A): 8 out of 14 assignments used, quality = 1.00: HE2 LYS 65 + HD2 LYS 65 OK 98 100 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) * HE3 LYS 65 + HD2 LYS 65 OK 98 100 100 98 2.4-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 65 + HD3 LYS 65 OK 97 99 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE3 LYS 65 + HD3 LYS 65 OK 97 99 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 115 + HD2 LYS 115 OK 91 95 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD2 LYS 115 OK 91 95 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 115 + HD3 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD3 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 96 - HD3 LYS 65 far 0 79 0 - 5.9-11.4 HE3 LYS 17 - HD2 LYS 115 far 0 71 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 67 0 - 6.4-14.4 HE3 LYS 96 - HD3 LYS 65 far 0 79 0 - 6.6-12.9 HE2 LYS 96 - HD2 LYS 65 far 0 81 0 - 7.1-11.6 HE3 LYS 96 - HD2 LYS 65 far 0 81 0 - 7.4-12.9 Violated in 0 structures by 0.00 A. Peak 4854 from cnoeabs.peaks (3.79, 1.65, 29.50 ppm; 3.86 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 65 + HD3 LYS 65 OK 100 100 100 100 3.4-4.9 4797/3.0=65, 4798/3.0=60...(60) HA LYS 65 + HD2 LYS 65 OK 99 99 100 100 1.9-5.1 4797/3.0=65, 4798/3.0=60...(61) HA LYS 115 + HD2 LYS 115 OK 93 93 100 100 2.4-5.0 6703/2.9=64, 6705=49...(63) HA LYS 115 + HD3 LYS 115 OK 85 85 100 100 2.2-5.1 6703/2.9=64, 4.9=48...(64) HA ALA 113 - HD2 LYS 115 far 5 93 5 - 4.3-8.2 HA ALA 113 - HD3 LYS 115 far 4 85 5 - 4.6-8.4 HA LEU 68 - HD2 LYS 65 far 0 75 0 - 6.4-10.3 HA LEU 68 - HD3 LYS 65 far 0 77 0 - 7.8-10.7 HB2 SER 58 - HD2 LYS 65 far 0 79 0 - 8.4-11.2 HB2 SER 58 - HD3 LYS 65 far 0 81 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 4855 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: * HB2 LYS 65 + HD3 LYS 65 OK 99 100 100 99 2.2-4.2 3.4=56, 2.9/4858=22...(94) HB3 LYS 65 + HD3 LYS 65 OK 99 100 100 99 2.0-3.9 3.4=56, 2.9/4858=22...(94) HB2 LYS 65 + HD2 LYS 65 OK 99 99 100 99 2.1-4.2 3.4=56, 2.9/4858=22...(94) HB3 LYS 65 + HD2 LYS 65 OK 98 99 100 99 2.4-3.8 3.4=56, 2.9/4858=22...(94) HB3 LYS 115 + HD2 LYS 115 OK 94 96 100 98 2.1-3.8 3.7=43, 3.0/6705=16...(73) HB2 LYS 115 + HD2 LYS 115 OK 91 93 100 98 2.1-4.2 3.7=43, 3.0/6705=16...(73) HB3 LYS 115 + HD3 LYS 115 OK 87 89 100 98 2.4-3.7 3.7=43, 3.0/6705=16...(72) HB2 LYS 115 + HD3 LYS 115 OK 83 85 100 98 2.5-4.2 3.7=43, 3.0/6705=16...(71) HB3 LYS 17 - HD2 LYS 115 far 0 80 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 72 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 87 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 85 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 63 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 70 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 94 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 4856 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 99 100 100 99 2.2-4.2 3.4=56, 2.9/4858=22...(94) * HB3 LYS 65 + HD3 LYS 65 OK 99 100 100 99 2.0-3.9 3.4=56, 2.9/4858=22...(94) HB2 LYS 65 + HD2 LYS 65 OK 99 99 100 99 2.1-4.2 3.4=56, 2.9/4858=22...(94) HB3 LYS 65 + HD2 LYS 65 OK 99 99 100 99 2.4-3.8 3.4=56, 2.9/4858=22...(94) HB3 LYS 115 + HD2 LYS 115 OK 94 96 100 98 2.1-3.8 3.7=43, 3.0/6705=16...(73) HB2 LYS 115 + HD2 LYS 115 OK 92 94 100 98 2.1-4.2 3.7=43, 3.0/6705=16...(73) HB3 LYS 115 + HD3 LYS 115 OK 87 89 100 98 2.4-3.7 3.7=43, 3.0/6705=16...(72) HB2 LYS 115 + HD3 LYS 115 OK 84 86 100 98 2.5-4.2 3.7=43, 3.0/6705=16...(72) HB3 LYS 17 - HD2 LYS 115 far 0 83 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 74 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 84 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 82 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 66 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 74 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 92 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 4857 from cnoeabs.peaks (1.55, 1.65, 29.50 ppm; 2.40 A): 4 out of 5 assignments used, quality = 1.00: * HG2 LYS 65 + HD3 LYS 65 OK 96 100 100 96 2.3-3.0 3.0=53, 1.8/4858=23...(44) HG2 LYS 65 + HD2 LYS 65 OK 95 99 100 95 2.3-3.0 3.0=53, 1.8/4858=23...(44) HG2 LYS 115 + HD2 LYS 115 OK 72 80 100 90 2.3-3.0 2.9=56, 6736/1.8=14...(41) HG2 LYS 115 + HD3 LYS 115 OK 65 72 100 90 2.2-3.0 2.9=56, 6736/1.8=14...(41) HB VAL 78 - HD2 LYS 65 far 0 94 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 4858 from cnoeabs.peaks (1.34, 1.65, 29.50 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 65 + HD3 LYS 65 OK 100 100 100 100 2.4-3.0 3.0=90, 4839/1.8=32...(85) HG3 LYS 65 + HD2 LYS 65 OK 99 99 100 100 2.3-3.0 3.0=90, 4840/1.8=32...(85) HG LEU 81 - HD3 LYS 115 far 0 89 0 - 7.8-11.7 HG LEU 81 - HD2 LYS 115 far 0 96 0 - 7.8-11.3 HB3 LEU 81 - HD3 LYS 115 far 0 72 0 - 9.8-13.2 HB3 LEU 81 - HD2 LYS 115 far 0 80 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HE2 LYS 65 + HD3 LYS 65 OK 98 100 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE3 LYS 65 + HD3 LYS 65 OK 98 100 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 65 + HD2 LYS 65 OK 97 99 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE3 LYS 65 + HD2 LYS 65 OK 97 99 100 98 2.4-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 115 + HD2 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD2 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 115 + HD3 LYS 115 OK 79 83 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD3 LYS 115 OK 79 83 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 96 - HD3 LYS 65 far 0 81 0 - 5.9-11.4 HE3 LYS 17 - HD2 LYS 115 far 0 67 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 59 0 - 6.4-14.4 HE3 LYS 96 - HD3 LYS 65 far 0 81 0 - 6.6-12.9 HE2 LYS 96 - HD2 LYS 65 far 0 79 0 - 7.1-11.6 HE3 LYS 96 - HD2 LYS 65 far 0 79 0 - 7.4-12.9 Violated in 0 structures by 0.00 A. Peak 4862 from cnoeabs.peaks (2.92, 1.65, 29.50 ppm; 2.69 A): 8 out of 14 assignments used, quality = 1.00: HE2 LYS 65 + HD3 LYS 65 OK 98 100 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) * HE3 LYS 65 + HD3 LYS 65 OK 98 100 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 65 + HD2 LYS 65 OK 97 99 100 98 2.3-3.0 3.0=74, 4868/3.0=16...(73) HE3 LYS 65 + HD2 LYS 65 OK 97 99 100 98 2.4-3.0 3.0=74, 4868/3.0=16...(73) HE2 LYS 115 + HD2 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD2 LYS 115 OK 87 91 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 115 + HD3 LYS 115 OK 79 83 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE3 LYS 115 + HD3 LYS 115 OK 79 83 100 95 2.3-3.0 3.0=75, 6774/2.9=14...(35) HE2 LYS 96 - HD3 LYS 65 far 0 81 0 - 5.9-11.4 HE3 LYS 17 - HD2 LYS 115 far 0 67 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 59 0 - 6.4-14.4 HE3 LYS 96 - HD3 LYS 65 far 0 81 0 - 6.6-12.9 HE2 LYS 96 - HD2 LYS 65 far 0 79 0 - 7.1-11.6 HE3 LYS 96 - HD2 LYS 65 far 0 79 0 - 7.4-12.9 Violated in 0 structures by 0.00 A. Peak 4865 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 9 out of 38 assignments used, quality = 1.00: HB3 LYS 65 + HE2 LYS 65 OK 99 100 100 99 1.9-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 65 + HE3 LYS 65 OK 99 100 100 99 2.3-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 115 + HE3 LYS 115 OK 87 93 95 98 2.0-5.0 4.8=33, 3.0/6784=20...(59) HB3 LYS 115 + HE2 LYS 115 OK 82 93 90 98 2.0-4.9 4.8=33, 3.0/6784=20...(59) * HB2 LYS 65 + HE2 LYS 65 OK 79 100 80 99 3.2-5.3 4.8=34, 2.9/4878=25...(81) HB2 LYS 115 + HE2 LYS 115 OK 75 89 85 98 3.6-5.3 4.8=33, 3.0/6784=20...(59) HB2 LYS 115 + HE3 LYS 115 OK 61 89 70 98 3.1-5.0 4.8=33, 3.0/6774=20...(59) HB2 LYS 65 + HE3 LYS 65 OK 60 100 60 99 3.3-5.1 4.8=34, 2.9/4878=25...(81) HB VAL 104 + HE3 LYS 94 OK 23 87 45 59 2.8-9.5 2.1/10234=37...(5) HB3 LYS 40 - HE3 LYS 44 poor 9 50 60 29 2.0-5.8 8046/6.5=12, 7081/3.7=3...(11) HB3 LYS 40 - HE2 LYS 44 poor 8 50 55 29 2.0-6.3 8046/6.5=12, 7081/3.7=3...(11) HB ILE 15 - HE2 LYS 16 lone 3 55 75 7 3.5-6.6 77/7.4=7 HB ILE 15 - HE3 LYS 16 lone 3 55 70 7 4.0-6.5 77/7.4=7 HB2 GLU 41 - HE2 LYS 44 far 0 39 0 - 5.8-9.1 HB3 GLU 41 - HE2 LYS 44 far 0 41 0 - 5.9-9.0 HB3 GLU 41 - HE3 LYS 44 far 0 41 0 - 5.9-8.8 HB2 GLU 41 - HE3 LYS 44 far 0 39 0 - 6.0-8.9 HB3 LYS 17 - HE2 LYS 16 far 0 79 0 - 6.4-10.4 HB3 LYS 17 - HE3 LYS 16 far 0 79 0 - 7.0-10.0 HB3 LYS 39 - HE3 LYS 44 far 0 44 0 - 7.1-10.8 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 7.2-11.5 HB3 LYS 39 - HE2 LYS 44 far 0 44 0 - 7.4-11.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 7.5-13.0 HB VAL 104 - HE3 LYS 65 far 0 87 0 - 7.7-15.4 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.8-11.0 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 8.2-11.7 HB2 LEU 81 - HE3 LYS 115 far 0 67 0 - 8.3-13.6 HB3 LYS 17 - HE3 LYS 115 far 0 76 0 - 8.3-14.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 8.5-11.8 HB VAL 104 - HE2 LYS 65 far 0 87 0 - 8.5-15.7 HB VAL 29 - HE2 LYS 16 far 0 55 0 - 8.6-13.8 HB3 MET 42 - HE3 LYS 44 far 0 39 0 - 8.7-11.1 HB2 LEU 81 - HE2 LYS 115 far 0 67 0 - 8.9-13.4 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 9.1-12.1 HB3 LYS 17 - HE2 LYS 115 far 0 76 0 - 9.2-14.9 HB3 MET 42 - HE2 LYS 44 far 0 39 0 - 9.3-10.9 HB2 LEU 81 - HE3 LYS 94 far 0 77 0 - 9.3-14.5 HB VAL 29 - HE3 LYS 16 far 0 55 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 4866 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 9 out of 36 assignments used, quality = 1.00: * HB3 LYS 65 + HE2 LYS 65 OK 99 100 100 99 1.9-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 65 + HE3 LYS 65 OK 99 100 100 99 2.3-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 115 + HE3 LYS 115 OK 87 93 95 98 2.0-5.0 4.8=33, 3.0/6784=20...(59) HB3 LYS 115 + HE2 LYS 115 OK 82 93 90 98 2.0-4.9 4.8=33, 3.0/6784=20...(59) HB2 LYS 65 + HE2 LYS 65 OK 79 100 80 99 3.2-5.3 4.8=34, 2.9/4878=25...(81) HB2 LYS 115 + HE2 LYS 115 OK 76 91 85 98 3.6-5.3 4.8=33, 3.0/6784=20...(59) HB2 LYS 115 + HE3 LYS 115 OK 62 91 70 98 3.1-5.0 4.8=33, 3.0/6774=20...(59) HB2 LYS 65 + HE3 LYS 65 OK 60 100 60 99 3.3-5.1 4.8=34, 2.9/4878=25...(81) HB VAL 104 + HE3 LYS 94 OK 22 84 45 59 2.8-9.5 2.1/10234=37...(5) HB3 LYS 40 - HE3 LYS 44 poor 8 48 60 29 2.0-5.8 8046/6.5=11, 7081/3.7=3...(11) HB3 LYS 40 - HE2 LYS 44 poor 8 48 55 29 2.0-6.3 8046/6.5=11, 7081/3.7=3...(11) HB ILE 15 - HE2 LYS 16 lone 3 58 75 8 3.5-6.6 77/7.4=7 HB ILE 15 - HE3 LYS 16 lone 3 58 70 8 4.0-6.5 77/7.4=7 HB2 GLU 41 - HE2 LYS 44 far 0 36 0 - 5.8-9.1 HB3 GLU 41 - HE2 LYS 44 far 0 39 0 - 5.9-9.0 HB3 GLU 41 - HE3 LYS 44 far 0 39 0 - 5.9-8.8 HB2 GLU 41 - HE3 LYS 44 far 0 36 0 - 6.0-8.9 HB3 LYS 17 - HE2 LYS 16 far 0 82 0 - 6.4-10.4 HB3 LYS 17 - HE3 LYS 16 far 0 82 0 - 7.0-10.0 HB3 LYS 39 - HE3 LYS 44 far 0 41 0 - 7.1-10.8 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 7.2-11.5 HB3 LYS 39 - HE2 LYS 44 far 0 41 0 - 7.4-11.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 7.5-13.0 HB VAL 104 - HE3 LYS 65 far 0 84 0 - 7.7-15.4 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.8-11.0 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 8.2-11.7 HB2 LEU 81 - HE3 LYS 115 far 0 70 0 - 8.3-13.6 HB3 LYS 17 - HE3 LYS 115 far 0 79 0 - 8.3-14.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 8.5-11.8 HB VAL 104 - HE2 LYS 65 far 0 84 0 - 8.5-15.7 HB3 MET 42 - HE3 LYS 44 far 0 36 0 - 8.7-11.1 HB2 LEU 81 - HE2 LYS 115 far 0 70 0 - 8.9-13.4 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 9.1-12.1 HB3 LYS 17 - HE2 LYS 115 far 0 79 0 - 9.2-14.9 HB3 MET 42 - HE2 LYS 44 far 0 36 0 - 9.3-10.9 HB2 LEU 81 - HE3 LYS 94 far 0 80 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 4867 from cnoeabs.peaks (1.55, 2.92, 41.78 ppm; 3.09 A): 6 out of 16 assignments used, quality = 1.00: HG2 LYS 65 + HE3 LYS 65 OK 99 100 100 99 2.2-4.2 3.7=58, 1.8/4868=28...(63) * HG2 LYS 65 + HE2 LYS 65 OK 99 100 100 99 2.8-4.1 3.7=58, 1.8/4868=28...(63) HD3 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.4-3.0 3.0=100 HG2 LYS 115 + HE2 LYS 115 OK 74 76 100 97 2.1-4.2 3.7=59, 1.8/6784=23...(60) HG2 LYS 115 + HE3 LYS 115 OK 74 76 100 97 2.3-4.2 3.7=59, 1.8/6784=23...(60) HD2 LYS 106 - HE3 LYS 94 lone 1 87 45 3 2.5-6.5 HD3 LYS 106 - HE3 LYS 94 lone 1 84 40 3 2.2-6.6 HG2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.7-12.6 QB ALA 46 - HE2 LYS 44 far 0 63 0 - 7.8-9.5 QB ALA 46 - HE3 LYS 44 far 0 63 0 - 7.9-9.3 HG2 LYS 65 - HE3 LYS 96 far 0 63 0 - 8.4-11.7 HD2 LYS 94 - HE3 LYS 96 far 0 48 0 - 9.4-12.8 HD2 LYS 94 - HE2 LYS 96 far 0 48 0 - 9.6-12.8 HD3 LYS 94 - HE2 LYS 96 far 0 48 0 - 9.7-13.1 HD3 LYS 94 - HE3 LYS 96 far 0 48 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4868 from cnoeabs.peaks (1.34, 2.92, 41.78 ppm; 3.49 A): 2 out of 9 assignments used, quality = 1.00: HG3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.1-3.7 3.7=84, 4858/3.0=33...(74) * HG3 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.2-3.9 3.7=84, 4858/3.0=33...(74) HG3 LYS 65 - HE2 LYS 96 far 0 63 0 - 6.6-11.3 HG3 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.2-10.4 HG LEU 81 - HE3 LYS 115 far 0 93 0 - 8.3-12.3 HG LEU 81 - HE2 LYS 115 far 0 93 0 - 8.4-11.8 HG LEU 81 - HE3 LYS 94 far 0 100 0 - 8.8-14.0 HB3 LEU 81 - HE3 LYS 115 far 0 76 0 - 9.6-14.1 HB3 LEU 81 - HE3 LYS 94 far 0 87 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 4869 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 25 assignments used, quality = 1.00: * HD2 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.4-3.0 3.0=57, 3.0/4868=13...(64) HD3 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD3 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 115 + HE3 LYS 115 OK 82 93 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD2 LYS 115 + HE2 LYS 115 OK 82 93 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE3 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE2 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HG LEU 90 - HE3 LYS 94 far 4 77 5 - 4.0-9.5 HG LEU 114 - HE3 LYS 115 far 0 92 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 92 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 87 0 - 5.5-9.8 HD3 LYS 65 - HE2 LYS 96 far 0 62 0 - 5.9-11.4 HD2 LYS 49 - HE2 LYS 44 far 0 63 0 - 6.0-16.5 HB2 ARG 30 - HE2 LYS 44 far 0 63 0 - 6.1-11.9 HG LEU 64 - HE2 LYS 65 far 0 87 0 - 6.5-10.4 HD3 LYS 65 - HE3 LYS 96 far 0 62 0 - 6.6-12.9 HD3 LYS 49 - HE2 LYS 44 far 0 63 0 - 6.8-16.8 HB2 ARG 30 - HE3 LYS 44 far 0 63 0 - 6.8-11.8 HD2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.1-11.6 HD2 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.4-12.9 HD2 LYS 49 - HE3 LYS 44 far 0 63 0 - 7.5-16.7 HD3 LYS 49 - HE3 LYS 44 far 0 63 0 - 8.4-16.8 HB2 GLU 52 - HE2 LYS 44 far 0 62 0 - 9.3-17.3 HB2 GLU 52 - HE3 LYS 44 far 0 62 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 4870 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 25 assignments used, quality = 1.00: * HD3 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD3 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4878=13...(64) HD2 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.4-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 115 + HE3 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD2 LYS 115 + HE2 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE3 LYS 115 OK 76 86 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE2 LYS 115 OK 76 86 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HG LEU 90 - HE3 LYS 94 far 4 87 5 - 4.0-9.5 HG LEU 114 - HE3 LYS 115 far 0 93 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 93 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 94 0 - 5.5-9.8 HD3 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.9-11.4 HD2 LYS 49 - HE2 LYS 44 far 0 62 0 - 6.0-16.5 HB2 ARG 30 - HE2 LYS 44 far 0 62 0 - 6.1-11.9 HG LEU 64 - HE2 LYS 65 far 0 94 0 - 6.5-10.4 HD3 LYS 65 - HE3 LYS 96 far 0 63 0 - 6.6-12.9 HD3 LYS 49 - HE2 LYS 44 far 0 62 0 - 6.8-16.8 HB2 ARG 30 - HE3 LYS 44 far 0 62 0 - 6.8-11.8 HD2 LYS 65 - HE2 LYS 96 far 0 62 0 - 7.1-11.6 HD2 LYS 65 - HE3 LYS 96 far 0 62 0 - 7.4-12.9 HD2 LYS 49 - HE3 LYS 44 far 0 62 0 - 7.5-16.7 HD3 LYS 49 - HE3 LYS 44 far 0 62 0 - 8.4-16.8 HB2 GLU 52 - HE2 LYS 44 far 0 60 0 - 9.3-17.3 HB2 GLU 52 - HE3 LYS 44 far 0 60 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 4871 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 11 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): 11 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): 9 out of 38 assignments used, quality = 1.00: HB3 LYS 65 + HE2 LYS 65 OK 99 100 100 99 1.9-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 65 + HE3 LYS 65 OK 99 100 100 99 2.3-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 115 + HE3 LYS 115 OK 87 93 95 98 2.0-5.0 4.8=33, 3.0/6784=20...(59) HB3 LYS 115 + HE2 LYS 115 OK 82 93 90 98 2.0-4.9 4.8=33, 3.0/6784=20...(59) HB2 LYS 65 + HE2 LYS 65 OK 79 100 80 99 3.2-5.3 4.8=34, 2.9/4878=25...(81) HB2 LYS 115 + HE2 LYS 115 OK 75 89 85 98 3.6-5.3 4.8=33, 3.0/6784=20...(59) HB2 LYS 115 + HE3 LYS 115 OK 61 89 70 98 3.1-5.0 4.8=33, 3.0/6774=20...(59) * HB2 LYS 65 + HE3 LYS 65 OK 60 100 60 99 3.3-5.1 4.8=34, 2.9/4878=25...(81) HB VAL 104 + HE3 LYS 94 OK 23 87 45 59 2.8-9.5 2.1/10234=37...(5) HB3 LYS 40 - HE3 LYS 44 poor 9 50 60 29 2.0-5.8 8046/6.5=12, 7081/3.7=3...(11) HB3 LYS 40 - HE2 LYS 44 poor 8 50 55 29 2.0-6.3 8046/6.5=12, 7081/3.7=3...(11) HB ILE 15 - HE2 LYS 16 lone 3 55 75 7 3.5-6.6 77/7.4=7 HB ILE 15 - HE3 LYS 16 lone 3 55 70 7 4.0-6.5 77/7.4=7 HB2 GLU 41 - HE2 LYS 44 far 0 39 0 - 5.8-9.1 HB3 GLU 41 - HE2 LYS 44 far 0 41 0 - 5.9-9.0 HB3 GLU 41 - HE3 LYS 44 far 0 41 0 - 5.9-8.8 HB2 GLU 41 - HE3 LYS 44 far 0 39 0 - 6.0-8.9 HB3 LYS 17 - HE2 LYS 16 far 0 79 0 - 6.4-10.4 HB3 LYS 17 - HE3 LYS 16 far 0 79 0 - 7.0-10.0 HB3 LYS 39 - HE3 LYS 44 far 0 44 0 - 7.1-10.8 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 7.2-11.5 HB3 LYS 39 - HE2 LYS 44 far 0 44 0 - 7.4-11.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 7.5-13.0 HB VAL 104 - HE3 LYS 65 far 0 87 0 - 7.7-15.4 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.8-11.0 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 8.2-11.7 HB2 LEU 81 - HE3 LYS 115 far 0 67 0 - 8.3-13.6 HB3 LYS 17 - HE3 LYS 115 far 0 76 0 - 8.3-14.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 8.5-11.8 HB VAL 104 - HE2 LYS 65 far 0 87 0 - 8.5-15.7 HB VAL 29 - HE2 LYS 16 far 0 55 0 - 8.6-13.8 HB3 MET 42 - HE3 LYS 44 far 0 39 0 - 8.7-11.1 HB2 LEU 81 - HE2 LYS 115 far 0 67 0 - 8.9-13.4 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 9.1-12.1 HB3 LYS 17 - HE2 LYS 115 far 0 76 0 - 9.2-14.9 HB3 MET 42 - HE2 LYS 44 far 0 39 0 - 9.3-10.9 HB2 LEU 81 - HE3 LYS 94 far 0 77 0 - 9.3-14.5 HB VAL 29 - HE3 LYS 16 far 0 55 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 4876 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 9 out of 36 assignments used, quality = 1.00: HB3 LYS 65 + HE2 LYS 65 OK 99 100 100 99 1.9-4.6 4.8=34, 2.9/4878=25...(81) * HB3 LYS 65 + HE3 LYS 65 OK 99 100 100 99 2.3-4.6 4.8=34, 2.9/4878=25...(81) HB3 LYS 115 + HE3 LYS 115 OK 87 93 95 98 2.0-5.0 4.8=33, 3.0/6784=20...(59) HB3 LYS 115 + HE2 LYS 115 OK 82 93 90 98 2.0-4.9 4.8=33, 3.0/6784=20...(59) HB2 LYS 65 + HE2 LYS 65 OK 79 100 80 99 3.2-5.3 4.8=34, 2.9/4878=25...(81) HB2 LYS 115 + HE2 LYS 115 OK 76 91 85 98 3.6-5.3 4.8=33, 3.0/6784=20...(59) HB2 LYS 115 + HE3 LYS 115 OK 62 91 70 98 3.1-5.0 4.8=33, 3.0/6774=20...(59) HB2 LYS 65 + HE3 LYS 65 OK 60 100 60 99 3.3-5.1 4.8=34, 2.9/4878=25...(81) HB VAL 104 + HE3 LYS 94 OK 22 84 45 59 2.8-9.5 2.1/10234=37...(5) HB3 LYS 40 - HE3 LYS 44 poor 8 48 60 29 2.0-5.8 8046/6.5=11, 7081/3.7=3...(11) HB3 LYS 40 - HE2 LYS 44 poor 8 48 55 29 2.0-6.3 8046/6.5=11, 7081/3.7=3...(11) HB ILE 15 - HE2 LYS 16 lone 3 58 75 8 3.5-6.6 77/7.4=7 HB ILE 15 - HE3 LYS 16 lone 3 58 70 8 4.0-6.5 77/7.4=7 HB2 GLU 41 - HE2 LYS 44 far 0 36 0 - 5.8-9.1 HB3 GLU 41 - HE2 LYS 44 far 0 39 0 - 5.9-9.0 HB3 GLU 41 - HE3 LYS 44 far 0 39 0 - 5.9-8.8 HB2 GLU 41 - HE3 LYS 44 far 0 36 0 - 6.0-8.9 HB3 LYS 17 - HE2 LYS 16 far 0 82 0 - 6.4-10.4 HB3 LYS 17 - HE3 LYS 16 far 0 82 0 - 7.0-10.0 HB3 LYS 39 - HE3 LYS 44 far 0 41 0 - 7.1-10.8 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 7.2-11.5 HB3 LYS 39 - HE2 LYS 44 far 0 41 0 - 7.4-11.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 7.5-13.0 HB VAL 104 - HE3 LYS 65 far 0 84 0 - 7.7-15.4 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.8-11.0 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 8.2-11.7 HB2 LEU 81 - HE3 LYS 115 far 0 70 0 - 8.3-13.6 HB3 LYS 17 - HE3 LYS 115 far 0 79 0 - 8.3-14.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 8.5-11.8 HB VAL 104 - HE2 LYS 65 far 0 84 0 - 8.5-15.7 HB3 MET 42 - HE3 LYS 44 far 0 36 0 - 8.7-11.1 HB2 LEU 81 - HE2 LYS 115 far 0 70 0 - 8.9-13.4 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 9.1-12.1 HB3 LYS 17 - HE2 LYS 115 far 0 79 0 - 9.2-14.9 HB3 MET 42 - HE2 LYS 44 far 0 36 0 - 9.3-10.9 HB2 LEU 81 - HE3 LYS 94 far 0 80 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 4877 from cnoeabs.peaks (1.55, 2.92, 41.78 ppm; 3.09 A): 6 out of 16 assignments used, quality = 1.00: * HG2 LYS 65 + HE3 LYS 65 OK 99 100 100 99 2.2-4.2 3.7=58, 1.8/4868=28...(63) HG2 LYS 65 + HE2 LYS 65 OK 99 100 100 99 2.8-4.1 3.7=58, 1.8/4868=28...(63) HD3 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.4-3.0 3.0=100 HG2 LYS 115 + HE2 LYS 115 OK 74 76 100 97 2.1-4.2 3.7=59, 1.8/6784=23...(60) HG2 LYS 115 + HE3 LYS 115 OK 74 76 100 97 2.3-4.2 3.7=59, 1.8/6784=23...(60) HD2 LYS 106 - HE3 LYS 94 lone 1 87 45 3 2.5-6.5 HD3 LYS 106 - HE3 LYS 94 lone 1 84 40 3 2.2-6.6 HG2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.7-12.6 QB ALA 46 - HE2 LYS 44 far 0 63 0 - 7.8-9.5 QB ALA 46 - HE3 LYS 44 far 0 63 0 - 7.9-9.3 HG2 LYS 65 - HE3 LYS 96 far 0 63 0 - 8.4-11.7 HD2 LYS 94 - HE3 LYS 96 far 0 48 0 - 9.4-12.8 HD2 LYS 94 - HE2 LYS 96 far 0 48 0 - 9.6-12.8 HD3 LYS 94 - HE2 LYS 96 far 0 48 0 - 9.7-13.1 HD3 LYS 94 - HE3 LYS 96 far 0 48 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4878 from cnoeabs.peaks (1.34, 2.92, 41.78 ppm; 3.49 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.1-3.7 3.7=84, 4858/3.0=33...(74) HG3 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.2-3.9 3.7=84, 4858/3.0=33...(74) HG3 LYS 65 - HE2 LYS 96 far 0 63 0 - 6.6-11.3 HG3 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.2-10.4 HG LEU 81 - HE3 LYS 115 far 0 93 0 - 8.3-12.3 HG LEU 81 - HE2 LYS 115 far 0 93 0 - 8.4-11.8 HG LEU 81 - HE3 LYS 94 far 0 100 0 - 8.8-14.0 HB3 LEU 81 - HE3 LYS 115 far 0 76 0 - 9.6-14.1 HB3 LEU 81 - HE3 LYS 94 far 0 87 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 4879 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 25 assignments used, quality = 1.00: HD2 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) * HD2 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.4-3.0 3.0=57, 3.0/4868=13...(64) HD3 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD3 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 115 + HE3 LYS 115 OK 82 93 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD2 LYS 115 + HE2 LYS 115 OK 82 93 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE3 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE2 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HG LEU 90 - HE3 LYS 94 far 4 77 5 - 4.0-9.5 HG LEU 114 - HE3 LYS 115 far 0 92 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 92 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 87 0 - 5.5-9.8 HD3 LYS 65 - HE2 LYS 96 far 0 62 0 - 5.9-11.4 HD2 LYS 49 - HE2 LYS 44 far 0 63 0 - 6.0-16.5 HB2 ARG 30 - HE2 LYS 44 far 0 63 0 - 6.1-11.9 HG LEU 64 - HE2 LYS 65 far 0 87 0 - 6.5-10.4 HD3 LYS 65 - HE3 LYS 96 far 0 62 0 - 6.6-12.9 HD3 LYS 49 - HE2 LYS 44 far 0 63 0 - 6.8-16.8 HB2 ARG 30 - HE3 LYS 44 far 0 63 0 - 6.8-11.8 HD2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.1-11.6 HD2 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.4-12.9 HD2 LYS 49 - HE3 LYS 44 far 0 63 0 - 7.5-16.7 HD3 LYS 49 - HE3 LYS 44 far 0 63 0 - 8.4-16.8 HB2 GLU 52 - HE2 LYS 44 far 0 62 0 - 9.3-17.3 HB2 GLU 52 - HE3 LYS 44 far 0 62 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 4880 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 25 assignments used, quality = 1.00: HD3 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) * HD3 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4878=13...(64) HD2 LYS 65 + HE2 LYS 65 OK 93 100 100 93 2.3-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 65 + HE3 LYS 65 OK 93 100 100 93 2.4-3.0 3.0=57, 3.0/4868=13...(64) HD2 LYS 115 + HE3 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD2 LYS 115 + HE2 LYS 115 OK 80 91 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE3 LYS 115 OK 76 86 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HD3 LYS 115 + HE2 LYS 115 OK 76 86 100 88 2.3-3.0 3.0=58, 2.9/6784=11...(35) HG LEU 90 - HE3 LYS 94 far 4 87 5 - 4.0-9.5 HG LEU 114 - HE3 LYS 115 far 0 93 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 93 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 94 0 - 5.5-9.8 HD3 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.9-11.4 HD2 LYS 49 - HE2 LYS 44 far 0 62 0 - 6.0-16.5 HB2 ARG 30 - HE2 LYS 44 far 0 62 0 - 6.1-11.9 HG LEU 64 - HE2 LYS 65 far 0 94 0 - 6.5-10.4 HD3 LYS 65 - HE3 LYS 96 far 0 63 0 - 6.6-12.9 HD3 LYS 49 - HE2 LYS 44 far 0 62 0 - 6.8-16.8 HB2 ARG 30 - HE3 LYS 44 far 0 62 0 - 6.8-11.8 HD2 LYS 65 - HE2 LYS 96 far 0 62 0 - 7.1-11.6 HD2 LYS 65 - HE3 LYS 96 far 0 62 0 - 7.4-12.9 HD2 LYS 49 - HE3 LYS 44 far 0 62 0 - 7.5-16.7 HD3 LYS 49 - HE3 LYS 44 far 0 62 0 - 8.4-16.8 HB2 GLU 52 - HE2 LYS 44 far 0 60 0 - 9.3-17.3 HB2 GLU 52 - HE3 LYS 44 far 0 60 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 4881 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 11 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): 11 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): 2 out of 2 assignments used, quality = 1.00: * H GLU 66 + HA GLU 66 OK 100 100 100 100 2.7-2.8 2.9=100 H LYS 96 + HA GLU 92 OK 41 54 100 76 4.3-5.0 4.6/8203=37, 4.6/2159=37...(9) Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB2 GLU 66 + HA GLU 66 OK 100 100 100 100 2.3-3.0 3.0=81, 1.8/8135=65...(28) HB2 GLU 92 + HA GLU 92 OK 66 67 100 99 2.3-3.0 3.0=81, 581/3.6=28...(39) HB3 MET 67 - HA GLU 66 far 0 94 0 - 5.6-6.6 HB2 GLU 89 - HA GLU 92 far 0 87 0 - 6.9-8.3 HB3 GLU 89 - HA GLU 92 far 0 87 0 - 6.9-8.0 HB3 GLU 98 - HA GLU 92 far 0 67 0 - 7.4-9.4 HB3 GLN 100 - HA GLU 66 far 0 96 0 - 8.8-10.8 HB3 GLU 87 - HA GLU 92 far 0 87 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 4886 from cnoeabs.peaks (2.09, 4.03, 59.12 ppm; 2.74 A): 2 out of 11 assignments used, quality = 1.00: * HB3 GLU 66 + HA GLU 66 OK 100 100 100 100 2.7-3.0 4896=94, 1435/2.9=37...(25) HB3 GLU 92 + HA GLU 92 OK 63 64 100 99 2.5-3.0 3.0=76, 1.8/5854=38...(37) HB3 GLU 69 - HA GLU 66 far 5 99 5 - 4.2-5.1 HB3 MET 121 - HA LYS 123 far 0 65 0 - 7.6-8.6 HG2 GLU 119 - HA LYS 123 far 0 62 0 - 8.2-9.3 HB2 GLU 103 - HA LYS 123 far 0 91 0 - 8.7-10.8 HB2 GLU 87 - HA GLU 92 far 0 87 0 - 8.9-11.0 HB3 PHE 79 - HA LYS 123 far 0 58 0 - 9.0-9.7 HG3 GLU 21 - HA GLU 13 far 0 83 0 - 9.1-12.5 HB2 GLU 111 - HA GLU 13 far 0 93 0 - 9.3-12.7 HG2 GLU 21 - HA GLU 13 far 0 77 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 4887 from cnoeabs.peaks (2.39, 4.03, 59.12 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 66 + HA GLU 66 OK 100 100 100 100 2.5-3.5 4902=100, 4904/4896=72...(21) HG3 MET 67 - HA GLU 66 far 0 99 0 - 5.2-7.8 HG2 GLN 122 - HA LYS 123 far 0 69 0 - 5.8-6.4 HG2 GLU 98 - HA GLU 92 far 0 64 0 - 8.4-12.0 HG2 GLN 25 - HA LYS 123 far 0 88 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 4888 from cnoeabs.peaks (2.19, 4.03, 59.12 ppm; 3.16 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 66 + HA GLU 66 OK 100 100 100 100 3.6-3.9 4910/4896=65, 4908=64...(20) HB2 GLU 69 + HA GLU 66 OK 60 81 100 74 2.7-4.5 8133=48, 1454/2107=36...(4) HB2 MET 67 - HA GLU 66 far 0 73 0 - 5.8-6.5 HB2 MET 42 - HA GLU 66 far 0 99 0 - 7.4-9.2 HB2 GLU 98 - HA GLU 92 far 0 79 0 - 8.5-10.1 Violated in 10 structures by 0.04 A. Peak 4889 from cnoeabs.peaks (7.80, 2.04, 29.26 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 66 + HB2 GLU 66 OK 100 100 100 100 2.1-3.6 1434=100, 1435/1.8=80...(22) H LYS 96 - HB3 GLU 98 poor 12 31 85 47 4.1-5.5 3.6/8221=27, 2173/4.0=21 H LYS 96 - HB3 GLN 100 far 0 56 0 - 6.6-9.3 H LYS 96 - HB3 GLU 89 far 0 69 0 - 9.2-12.1 H GLU 66 - HB3 GLN 100 far 0 89 0 - 9.6-11.3 Violated in 3 structures by 0.01 A. Peak 4890 from cnoeabs.peaks (4.03, 2.04, 29.26 ppm; 3.02 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 66 + HB2 GLU 66 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 101 - HB3 GLN 100 poor 17 56 70 45 3.9-5.4 2.9/7820=13, ~639=13...(5) HA GLU 87 - HB2 GLU 89 far 0 94 0 - 5.0-7.3 HA GLU 87 - HB3 GLU 89 far 0 94 0 - 6.6-7.3 HA GLU 92 - HB2 GLU 89 far 0 98 0 - 6.9-8.3 HA GLU 92 - HB3 GLU 89 far 0 98 0 - 6.9-8.0 HA GLU 87 - HB3 GLN 85 far 0 91 0 - 7.3-8.6 HA GLU 92 - HB3 GLU 98 far 0 50 0 - 7.4-9.4 HA3 GLY 101 - HB3 GLU 98 far 0 31 0 - 7.5-9.6 HA GLU 66 - HB3 GLN 100 far 0 89 0 - 8.8-10.8 HA3 GLY 75 - HB3 GLN 100 far 0 66 0 - 9.8-13.5 HA LYS 40 - HB2 GLU 66 far 0 99 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4891 from cnoeabs.peaks (2.04, 2.04, 29.26 ppm; diagonal): 6 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 12 assignments used, quality = 1.00: * HB3 GLU 66 + HB2 GLU 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 92 - HB3 GLU 89 far 0 80 0 - 4.3-7.1 HB3 GLU 92 - HB2 GLU 89 far 0 80 0 - 4.4-7.4 HB3 GLU 69 - HB3 GLN 100 far 0 87 0 - 6.1-9.1 HB3 GLU 69 - HB2 GLU 66 far 0 99 0 - 6.1-8.0 HB2 GLU 87 - HB2 GLU 89 far 0 100 0 - 6.9-8.9 HB2 GLU 103 - HB3 GLU 98 far 0 50 0 - 7.4-10.3 HB2 GLU 87 - HB3 GLU 89 far 0 100 0 - 8.1-9.1 HB2 GLU 87 - HB3 GLN 85 far 0 99 0 - 8.3-10.6 HB2 GLU 103 - HB3 GLN 100 far 0 85 0 - 8.9-10.7 HB3 GLU 92 - HB3 GLU 98 far 0 37 0 - 9.2-11.0 HB3 GLU 112 - HB3 GLN 85 far 0 89 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 4893 from cnoeabs.peaks (2.39, 2.04, 29.26 ppm; 2.78 A): 4 out of 11 assignments used, quality = 1.00: * HG2 GLU 66 + HB2 GLU 66 OK 100 100 100 100 2.3-3.0 3.0=80, 1.8/4909=64...(27) HG3 GLN 85 + HB3 GLN 85 OK 76 78 100 98 2.3-3.0 3.0=79, 1.8/5672=29...(24) HG2 GLN 85 + HB3 GLN 85 OK 69 71 100 98 2.4-3.0 3.0=79, 1.8/5680=29...(24) HG2 GLU 98 + HB3 GLU 98 OK 37 37 100 99 2.3-3.0 3.0=79, 1.8/6230=50...(13) HG3 MET 67 - HB2 GLU 66 far 10 99 10 - 4.1-7.8 HG3 GLN 85 - HB2 GLU 89 far 0 80 0 - 6.2-11.8 HG2 GLU 98 - HB3 GLN 100 far 0 66 0 - 6.5-8.9 HG2 GLN 85 - HB2 GLU 89 far 0 73 0 - 7.3-12.1 HG3 GLN 85 - HB3 GLU 89 far 0 80 0 - 7.4-11.6 HG2 GLN 85 - HB3 GLU 89 far 0 73 0 - 8.4-11.9 HG3 MET 67 - HB3 GLN 100 far 0 87 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4894 from cnoeabs.peaks (2.19, 2.04, 29.26 ppm; 2.40 A): 3 out of 11 assignments used, quality = 1.00: * HG3 GLU 66 + HB2 GLU 66 OK 98 100 100 98 2.4-3.0 4909=63, 4910/1.8=57...(23) HB2 GLN 85 + HB3 GLN 85 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 GLU 98 + HB3 GLU 98 OK 48 48 100 100 1.8-1.8 1.8=100 HB2 MET 67 - HB2 GLU 66 far 0 73 0 - 4.4-6.5 HB2 GLU 69 - HB2 GLU 66 far 0 81 0 - 4.6-7.4 HB2 GLU 98 - HB3 GLN 100 far 0 81 0 - 6.2-8.6 HB2 MET 42 - HB2 GLU 66 far 0 99 0 - 6.8-9.3 HB2 GLU 69 - HB3 GLN 100 far 0 66 0 - 6.9-9.8 HB2 GLN 85 - HB2 GLU 89 far 0 80 0 - 7.0-10.4 HB2 GLN 85 - HB3 GLU 89 far 0 80 0 - 8.2-10.3 HB3 GLU 37 - HB2 GLU 66 far 0 87 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 4895 from cnoeabs.peaks (7.80, 2.09, 29.26 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 66 + HB3 GLU 66 OK 100 100 100 100 2.1-3.5 1435=100, 1434/1.8=79...(16) H GLU 66 - HB3 GLU 69 far 0 92 0 - 6.5-7.4 Violated in 12 structures by 0.01 A. Peak 4896 from cnoeabs.peaks (4.03, 2.09, 29.26 ppm; 2.80 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 66 + HB3 GLU 66 OK 100 100 100 100 2.7-3.0 3.0=81, 4885/1.8=39...(30) HA GLU 66 - HB3 GLU 69 far 5 92 5 - 4.2-5.1 HA3 GLY 101 - HB3 GLU 69 far 0 59 0 - 8.7-12.0 HA LYS 40 - HB3 GLU 66 far 0 99 0 - 9.7-12.8 Violated in 4 structures by 0.04 A. Peak 4897 from cnoeabs.peaks (2.04, 2.09, 29.26 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 66 + HB3 GLU 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 67 - HB3 GLU 66 far 0 94 0 - 4.2-6.2 HB3 GLU 111 - HB2 GLU 112 far 0 52 0 - 4.6-5.9 HB3 GLU 111 - HB3 GLU 112 far 0 49 0 - 5.4-6.6 HB3 GLN 100 - HB3 GLU 69 far 0 85 0 - 6.1-9.1 HB2 GLU 66 - HB3 GLU 69 far 0 92 0 - 6.1-8.0 HB3 MET 67 - HB3 GLU 69 far 0 83 0 - 7.7-8.9 HB3 GLN 85 - HB3 GLU 112 far 0 80 0 - 9.8-13.1 HB VAL 117 - HB3 GLU 112 far 0 74 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HG2 GLU 66 + HB3 GLU 66 OK 100 100 100 100 2.4-3.0 4904=100, 1.8/4910=81...(29) HG3 MET 67 - HB3 GLU 66 far 0 99 0 - 4.6-7.8 HG2 GLU 66 - HB3 GLU 69 far 0 92 0 - 6.7-7.9 HG3 MET 67 - HB3 GLU 69 far 0 91 0 - 7.6-10.3 HG2 GLN 85 - HB2 GLU 112 far 0 55 0 - 8.6-14.1 HG2 GLN 85 - HB3 GLU 112 far 0 52 0 - 9.0-12.7 HG3 GLN 85 - HB2 GLU 112 far 0 61 0 - 9.2-14.1 HG3 GLN 85 - HB3 GLU 112 far 0 58 0 - 9.2-12.7 Violated in 13 structures by 0.02 A. Peak 4900 from cnoeabs.peaks (2.19, 2.09, 29.26 ppm; 2.40 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 66 + HB3 GLU 66 OK 100 100 100 100 2.3-2.5 4910=90, 4909/1.8=48...(25) HB2 GLU 69 + HB3 GLU 69 OK 69 69 100 100 1.8-1.8 1.8=100 HB2 MET 67 - HB3 GLU 66 far 0 73 0 - 4.4-6.0 HB2 GLU 69 - HB3 GLU 66 far 0 81 0 - 5.3-6.9 HB2 MET 42 - HB3 GLU 66 far 0 99 0 - 7.2-10.2 HG3 GLU 66 - HB3 GLU 69 far 0 92 0 - 7.3-8.5 HB2 MET 42 - HB3 GLU 69 far 0 91 0 - 7.6-9.1 HB2 MET 67 - HB3 GLU 69 far 0 63 0 - 7.8-9.0 HB3 GLU 37 - HB3 GLU 66 far 0 87 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 4901 from cnoeabs.peaks (7.80, 2.39, 36.01 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HG2 GLU 66 OK 100 100 100 100 2.0-4.2 1435/4904=73...(21) Violated in 5 structures by 0.03 A. Peak 4902 from cnoeabs.peaks (4.03, 2.39, 36.01 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 66 + HG2 GLU 66 OK 100 100 100 100 2.5-3.5 4887=82, 4896/4904=64...(21) HA LYS 40 - HG2 GLU 66 far 0 99 0 - 9.4-13.2 Violated in 2 structures by 0.01 A. Peak 4903 from cnoeabs.peaks (2.04, 2.39, 36.01 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 66 + HG2 GLU 66 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 MET 67 - HG2 GLU 66 far 9 94 10 - 4.2-8.2 Violated in 0 structures by 0.00 A. Peak 4904 from cnoeabs.peaks (2.09, 2.39, 36.01 ppm; 2.87 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 66 + HG2 GLU 66 OK 100 100 100 100 2.4-3.0 4899=89, 4910/1.8=77...(29) HB3 GLU 69 - HG2 GLU 66 far 0 99 0 - 6.7-7.9 Violated in 13 structures by 0.09 A. 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 5 assignments used, quality = 1.00: * HG3 GLU 66 + HG2 GLU 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 67 - HG2 GLU 66 far 7 73 10 - 3.8-8.0 HB2 GLU 69 - HG2 GLU 66 far 0 81 0 - 5.3-7.3 HB2 MET 42 - HG2 GLU 66 far 0 99 0 - 6.7-11.0 HB3 GLU 37 - HG2 GLU 66 far 0 87 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4907 from cnoeabs.peaks (7.80, 2.19, 36.01 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HG3 GLU 66 OK 100 100 100 100 3.0-4.1 1435/4910=83...(18) Violated in 3 structures by 0.00 A. Peak 4908 from cnoeabs.peaks (4.03, 2.19, 36.01 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 66 + HG3 GLU 66 OK 100 100 100 100 3.6-3.9 3.7=95, 4902/1.8=81...(20) Violated in 4 structures by 0.02 A. Peak 4909 from cnoeabs.peaks (2.04, 2.19, 36.01 ppm; 2.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 66 + HG3 GLU 66 OK 100 100 100 100 2.4-3.0 3.0=82, 1.8/4910=75...(28) HB3 MET 67 - HG3 GLU 66 far 9 94 10 - 3.7-8.2 Violated in 2 structures by 0.02 A. Peak 4910 from cnoeabs.peaks (2.09, 2.19, 36.01 ppm; 2.49 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 66 + HG3 GLU 66 OK 99 100 100 99 2.3-2.5 4900=59, 1.8/4909=52...(27) HB3 GLU 69 - HG3 GLU 66 far 0 99 0 - 7.3-8.5 Violated in 3 structures by 0.00 A. Peak 4911 from cnoeabs.peaks (2.39, 2.19, 36.01 ppm; 2.55 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 66 + HG3 GLU 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 67 - HG3 GLU 66 far 0 99 0 - 6.0-9.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * HB2 MET 67 + HA MET 67 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 MET 42 + HA MET 67 OK 74 87 100 85 4.0-5.2 1.8/8139=34, 4.2/9424=30...(13) HB2 GLU 69 + HA MET 67 OK 49 100 60 82 4.9-6.7 1454/8137=39...(7) HG3 GLU 66 - HA MET 67 far 7 73 10 - 3.8-6.5 Violated in 0 structures by 0.00 A. Peak 4916 from cnoeabs.peaks (2.05, 3.95, 59.96 ppm; 3.52 A): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 67 + HA MET 67 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 66 + HA MET 67 OK 78 94 90 92 4.0-5.1 11121=38, ~411=33...(12) Violated in 0 structures by 0.00 A. Peak 4917 from cnoeabs.peaks (2.57, 3.95, 59.96 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 67 + HA MET 67 OK 100 100 100 100 2.3-3.9 3.7=100 HB3 ASP 60 - HA MET 67 far 0 100 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 4918 from cnoeabs.peaks (2.40, 3.95, 59.96 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 67 + HA MET 67 OK 100 100 100 100 2.8-3.9 3.7=100 HG2 GLU 66 - HA MET 67 far 10 99 10 - 3.0-6.6 HG3 GLN 62 - HA MET 67 far 0 70 0 - 8.2-12.1 HG2 GLN 62 - HA MET 67 far 0 65 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 4919 from cnoeabs.peaks (1.88, 3.95, 59.96 ppm; 3.66 A): 2 out of 7 assignments used, quality = 1.00: * QE MET 67 + HA MET 67 OK 100 100 100 100 3.7-4.1 4949=100, 4950/3.0=58...(13) QE MET 42 + HA MET 67 OK 75 81 100 94 1.9-4.7 9424=32, 9427/3.7=29...(17) HB ILE 71 - HA MET 67 far 4 73 5 - 4.8-7.3 HB2 LEU 63 - HA MET 67 far 0 94 0 - 7.6-8.6 HG LEU 45 - HA MET 67 far 0 100 0 - 8.1-10.1 HB3 LYS 73 - HA MET 67 far 0 81 0 - 8.5-10.6 HB2 LYS 73 - HA MET 67 far 0 77 0 - 8.8-10.6 Violated in 3 structures by 0.00 A. Peak 4920 from cnoeabs.peaks (8.39, 2.20, 33.44 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H MET 67 + HB2 MET 67 OK 100 100 100 100 2.5-3.5 4.0=100 H PHE 79 - HB2 MET 67 far 0 57 0 - 8.8-12.3 H ASP 36 - HB2 MET 67 far 0 98 0 - 9.5-12.5 H ASP 31 - HG3 GLN 28 far 0 37 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 4921 from cnoeabs.peaks (3.95, 2.20, 33.44 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 67 + HB2 MET 67 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 35 - HB2 MET 67 far 0 100 0 - 7.6-11.0 Violated in 0 structures by 0.00 A. 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): 3 out of 7 assignments used, quality = 1.00: * HB3 MET 67 + HB2 MET 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 28 + HG3 GLN 28 OK 38 46 100 81 2.3-3.0 3.0=73, 4.0/1183=20, 4.6/162=13 HB2 MET 1 + HB3 MET 1 OK 30 30 100 100 1.8-1.8 1.8=100 HG3 GLU 52 - HG3 GLN 28 far 3 61 5 - 4.0-9.3 HB2 GLU 66 - HB2 MET 67 far 0 94 0 - 4.4-6.5 HG3 GLU 52 - HB3 MET 1 far 0 58 0 - 7.8-11.8 HB3 GLU 48 - HB3 MET 1 far 0 52 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 4924 from cnoeabs.peaks (2.57, 2.20, 33.44 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 67 + HB2 MET 67 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 60 - HB2 MET 67 far 0 100 0 - 7.8-9.8 HE3 LYS 77 - HB3 MET 1 far 0 52 0 - 9.3-14.9 Violated in 0 structures by 0.00 A. Peak 4925 from cnoeabs.peaks (2.40, 2.20, 33.44 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 67 + HB2 MET 67 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 66 - HB2 MET 67 far 10 99 10 - 3.8-8.0 HG3 GLN 62 - HB2 MET 67 far 0 70 0 - 7.7-11.3 HG2 GLN 62 - HB2 MET 67 far 0 65 0 - 7.9-11.1 Violated in 0 structures by 0.00 A. Peak 4926 from cnoeabs.peaks (1.88, 2.20, 33.44 ppm; 4.27 A): 2 out of 9 assignments used, quality = 1.00: * QE MET 67 + HB2 MET 67 OK 100 100 100 100 1.7-3.1 4.3=100 QE MET 42 + HB2 MET 67 OK 77 81 100 96 2.6-5.2 9427/3.0=46, 9424/3.0=40...(15) HB2 LEU 63 - HB2 MET 67 far 14 94 15 - 5.7-7.6 HB ILE 71 - HB2 MET 67 far 4 73 5 - 4.9-8.4 HB2 LYS 49 - HB3 MET 1 far 0 30 0 - 7.2-14.4 QE MET 42 - HG3 GLN 28 far 0 44 0 - 8.6-12.5 HG LEU 45 - HB2 MET 67 far 0 100 0 - 8.7-10.3 HB ILE 7 - HB2 MET 67 far 0 87 0 - 9.1-11.6 HG LEU 45 - HG3 GLN 28 far 0 63 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 4927 from cnoeabs.peaks (8.39, 2.05, 33.44 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + HB3 MET 67 OK 100 100 100 100 2.1-3.6 4.0=100 H PHE 79 - HB3 MET 67 far 0 57 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 4928 from cnoeabs.peaks (3.95, 2.05, 33.44 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 67 + HB3 MET 67 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 35 - HB3 MET 67 far 0 100 0 - 7.9-11.2 HA ILE 97 - HB3 MET 67 far 0 92 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 4929 from cnoeabs.peaks (2.20, 2.05, 33.44 ppm; 2.80 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 67 + HB3 MET 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 42 - HB3 MET 67 poor 8 87 25 38 4.1-7.6 4915/3.0=10, 4.2/4933=8...(7) HG3 GLU 66 - HB3 MET 67 far 7 73 10 - 3.7-8.2 HB2 GLU 69 - HB3 MET 67 far 0 100 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 MET 67 + HB3 MET 67 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASP 60 - HB3 MET 67 far 0 100 0 - 7.7-11.3 Violated in 0 structures by 0.00 A. Peak 4932 from cnoeabs.peaks (2.40, 2.05, 33.44 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 67 + HB3 MET 67 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 66 - HB3 MET 67 far 10 99 10 - 4.2-8.2 HG3 GLN 62 - HB3 MET 67 far 0 70 0 - 7.6-12.8 HG2 GLN 62 - HB3 MET 67 far 0 65 0 - 7.8-12.3 Violated in 0 structures by 0.00 A. Peak 4933 from cnoeabs.peaks (1.88, 2.05, 33.44 ppm; 3.93 A): 2 out of 7 assignments used, quality = 1.00: * QE MET 67 + HB3 MET 67 OK 100 100 100 100 1.8-3.1 4950/1.8=86, 4.3=78...(12) QE MET 42 + HB3 MET 67 OK 69 81 95 90 1.8-5.5 9427/3.0=39, 9424/3.0=33...(13) HB2 LEU 63 - HB3 MET 67 far 5 94 5 - 5.4-8.2 HB ILE 71 - HB3 MET 67 far 0 73 0 - 6.2-8.4 HG LEU 45 - HB3 MET 67 far 0 100 0 - 7.6-11.0 HB ILE 7 - HB3 MET 67 far 0 87 0 - 9.7-11.4 HB2 LYS 73 - HB3 MET 67 far 0 77 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 4934 from cnoeabs.peaks (8.39, 2.57, 32.07 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H MET 67 + HG2 MET 67 OK 100 100 100 100 1.7-4.4 1442=100, 1440/3.0=84...(13) H PHE 79 - HG2 MET 67 far 0 57 0 - 8.4-12.1 H ASP 36 - HG2 MET 67 far 0 98 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 4935 from cnoeabs.peaks (3.95, 2.57, 32.07 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 67 + HG2 MET 67 OK 100 100 100 100 2.3-3.9 3.7=100 HB3 SER 35 - HG2 MET 67 far 0 100 0 - 7.4-12.1 HA ILE 97 - HG2 MET 67 far 0 92 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 4936 from cnoeabs.peaks (2.20, 2.57, 32.07 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 67 + HG2 MET 67 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 MET 42 - HG2 MET 67 far 9 87 10 - 4.4-7.4 HG3 GLU 66 - HG2 MET 67 far 0 73 0 - 5.9-8.6 HB2 GLU 69 - HG2 MET 67 far 0 100 0 - 6.5-8.4 HB2 GLN 100 - HG2 MET 67 far 0 97 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 4937 from cnoeabs.peaks (2.05, 2.57, 32.07 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 67 + HG2 MET 67 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 66 + HG2 MET 67 OK 44 94 55 84 4.0-8.0 4.1/1442=61...(4) Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 MET 67 + HG2 MET 67 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 66 - HG2 MET 67 far 0 99 0 - 6.1-8.5 HG3 GLN 62 - HG2 MET 67 far 0 70 0 - 7.4-12.2 HG2 GLN 62 - HG2 MET 67 far 0 65 0 - 7.6-11.5 Violated in 0 structures by 0.00 A. Peak 4940 from cnoeabs.peaks (1.88, 2.57, 32.07 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * QE MET 67 + HG2 MET 67 OK 100 100 100 100 2.5-3.4 3.3=100 QE MET 42 + HG2 MET 67 OK 54 81 75 90 1.7-5.8 9427/1.8=47, 9424/3.7=28...(14) HB2 LEU 63 - HG2 MET 67 far 9 94 10 - 5.1-8.2 HB ILE 71 - HG2 MET 67 far 4 73 5 - 4.6-8.5 HG LEU 45 - HG2 MET 67 far 0 100 0 - 7.1-11.6 HB ILE 7 - HG2 MET 67 far 0 87 0 - 9.3-11.5 HB2 LYS 73 - HG2 MET 67 far 0 77 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 4941 from cnoeabs.peaks (8.39, 2.40, 32.07 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * H MET 67 + HG3 MET 67 OK 100 100 100 100 1.7-4.6 1442/1.8=99, 5.1=98...(20) H PHE 79 - HG3 MET 67 far 0 57 0 - 8.8-10.9 H ASP 31 - HG3 MET 67 far 0 70 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 4942 from cnoeabs.peaks (3.95, 2.40, 32.07 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 67 + HG3 MET 67 OK 100 100 100 100 2.8-3.9 3.7=100 HB3 SER 35 - HG3 MET 67 far 0 100 0 - 8.3-12.0 HA ILE 97 - HG3 MET 67 far 0 92 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 4943 from cnoeabs.peaks (2.20, 2.40, 32.07 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 67 + HG3 MET 67 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 MET 42 - HG3 MET 67 far 13 87 15 - 4.9-7.6 HG3 GLU 66 - HG3 MET 67 far 0 73 0 - 6.0-9.1 HB2 GLU 69 - HG3 MET 67 far 0 100 0 - 6.6-9.2 HB2 GLN 100 - HG3 MET 67 far 0 97 0 - 9.4-13.3 Violated in 0 structures by 0.00 A. Peak 4944 from cnoeabs.peaks (2.05, 2.40, 32.07 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 67 + HG3 MET 67 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 66 + HG3 MET 67 OK 36 94 45 86 4.1-7.8 4.1/4941=43...(8) HB3 GLN 100 - HG3 MET 67 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4945 from cnoeabs.peaks (2.57, 2.40, 32.07 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 67 + HG3 MET 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 60 - HG3 MET 67 far 0 100 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * QE MET 67 + HG3 MET 67 OK 100 100 100 100 2.5-3.4 3.3=100 QE MET 42 + HG3 MET 67 OK 58 81 75 96 2.0-5.8 9427=62, 9424/3.7=31...(16) HB2 LEU 63 - HG3 MET 67 poor 19 94 20 - 5.1-8.8 HB ILE 71 - HG3 MET 67 far 7 73 10 - 5.2-8.4 HG LEU 45 - HG3 MET 67 far 0 100 0 - 7.4-12.4 HB ILE 7 - HG3 MET 67 far 0 87 0 - 8.6-11.0 HB3 LYS 73 - HG3 MET 67 far 0 81 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 4948 from cnoeabs.peaks (8.39, 1.88, 16.76 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * H MET 67 + QE MET 67 OK 100 100 100 100 2.8-3.9 2.9/4949=75...(16) H ASP 31 - QE MET 67 far 0 70 0 - 6.7-7.9 H ASP 36 - QE MET 67 far 0 98 0 - 7.3-9.9 H PHE 79 - QE MET 67 far 0 57 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 4949 from cnoeabs.peaks (3.95, 1.88, 16.76 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.98: * HA MET 67 + QE MET 67 OK 98 100 100 98 3.7-4.1 3.0/4950=57, 4919=55...(13) HB3 SER 35 - QE MET 67 far 0 100 0 - 6.1-8.8 HA ILE 97 - QE MET 67 far 0 92 0 - 9.2-11.7 Violated in 20 structures by 0.22 A. Peak 4950 from cnoeabs.peaks (2.20, 1.88, 16.76 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.98: * HB2 MET 67 + QE MET 67 OK 98 100 100 98 1.7-3.1 4.3=55, 3.0/4949=51...(16) HG3 GLU 66 - QE MET 67 far 7 73 10 - 4.3-7.6 HB2 MET 42 - QE MET 67 far 0 87 0 - 5.4-6.9 HB2 GLU 69 - QE MET 67 far 0 100 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 4951 from cnoeabs.peaks (2.05, 1.88, 16.76 ppm; 3.57 A): 2 out of 4 assignments used, quality = 0.99: * HB3 MET 67 + QE MET 67 OK 99 100 100 99 1.8-3.1 1.8/4950=75, 4.3=59...(12) HB2 GLU 66 + QE MET 67 OK 45 94 70 68 3.9-6.8 4.1/4948=33...(8) HG3 GLU 52 - QE MET 67 far 0 99 0 - 9.9-16.3 HB2 GLN 28 - QE MET 67 far 0 84 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4952 from cnoeabs.peaks (2.57, 1.88, 16.76 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 67 + QE MET 67 OK 100 100 100 100 2.5-3.4 3.3=100 HB3 ASP 60 - QE MET 67 far 5 100 5 - 5.0-7.2 Violated in 0 structures by 0.00 A. Peak 4953 from cnoeabs.peaks (2.40, 1.88, 16.76 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 67 + QE MET 67 OK 100 100 100 100 2.5-3.4 3.3=100 HG2 GLU 66 - QE MET 67 far 10 99 10 - 4.8-7.4 HG3 GLN 62 - QE MET 67 far 0 70 0 - 6.0-9.0 HG2 GLN 62 - QE MET 67 far 0 65 0 - 6.4-8.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.7-3.0 2.9=100 HB2 LEU 80 - HA LEU 68 far 0 98 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 4959 from cnoeabs.peaks (1.59, 3.78, 57.94 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 68 + HA LEU 68 OK 100 100 100 100 2.7-3.0 3.7=100 HB3 LEU 70 + HA LEU 68 OK 40 65 85 72 4.8-6.8 4.5/2117=44, 3.8/2110=25...(4) HG2 LYS 73 - HA LEU 68 far 0 94 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 4961 from cnoeabs.peaks (0.38, 3.78, 57.94 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.99: * QD2 LEU 68 + HA LEU 68 OK 99 100 100 99 1.9-2.2 4991=74, 1451/3.0=43...(18) Violated in 0 structures by 0.00 A. Peak 4962 from cnoeabs.peaks (8.47, 1.75, 40.88 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.1-3.4 1447=100, 1448/1.8=81...(10) Violated in 0 structures by 0.00 A. Peak 4963 from cnoeabs.peaks (3.78, 1.75, 40.88 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.7-3.0 2.9=100 HA LYS 65 + HB2 LEU 68 OK 75 77 100 97 2.2-3.7 8125=68, 8127/1.8=49...(12) HB2 SER 58 - HB2 LEU 68 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 LEU 68 + HB2 LEU 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 114 + HB2 LEU 114 OK 45 45 100 100 1.8-1.8 1.8=100 HG LEU 14 - HB2 LEU 114 far 0 70 0 - 4.4-8.4 HG3 LYS 16 - HB2 LEU 114 far 0 48 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 4966 from cnoeabs.peaks (1.59, 1.75, 40.88 ppm; 3.57 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 70 - HB2 LEU 68 far 0 65 0 - 6.3-8.3 HG12 ILE 116 - HB2 LEU 114 far 0 70 0 - 6.6-8.8 HG3 LYS 19 - HB2 LEU 114 far 0 64 0 - 8.4-13.1 HG2 LYS 73 - HB2 LEU 68 far 0 94 0 - 8.6-12.0 HD2 LYS 19 - HB2 LEU 114 far 0 67 0 - 8.7-13.1 HG3 LYS 96 - HB2 LEU 68 far 0 65 0 - 9.1-11.2 HG LEU 82 - HB2 LEU 68 far 0 92 0 - 9.2-10.6 HD3 LYS 19 - HB2 LEU 114 far 0 67 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.4 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.2 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 4970 from cnoeabs.peaks (3.78, 1.38, 40.88 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.6-2.9 2.9=100 HA LYS 65 + HB3 LEU 68 OK 74 77 100 96 2.3-4.9 8127=61, 8125/1.8=51...(11) HB2 SER 58 - HB3 LEU 68 far 0 100 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 4971 from cnoeabs.peaks (1.75, 1.38, 40.88 ppm; 2.79 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 68 + HB3 LEU 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 80 - HB3 LEU 68 far 0 98 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 70 - HB3 LEU 68 far 0 65 0 - 6.3-8.5 HG2 LYS 73 - HB3 LEU 68 far 0 94 0 - 8.0-11.2 HG LEU 82 - HB3 LEU 68 far 0 92 0 - 9.6-11.1 HG3 LYS 96 - HB3 LEU 68 far 0 65 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.5 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 4976 from cnoeabs.peaks (8.47, 1.59, 26.45 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HG LEU 68 OK 100 100 100 100 2.4-3.2 1449=100, 1450/2.1=73...(14) Violated in 0 structures by 0.00 A. Peak 4977 from cnoeabs.peaks (3.78, 1.59, 26.45 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HG LEU 68 OK 100 100 100 100 2.7-3.0 3.7=100 HA LYS 65 + HG LEU 68 OK 74 77 100 96 3.4-4.6 8125/3.0=52, 8127/3.0=50...(11) HB2 SER 58 - HG LEU 68 far 0 100 0 - 6.9-8.8 Violated in 0 structures by 0.00 A. Peak 4978 from cnoeabs.peaks (1.75, 1.59, 26.45 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 68 + HG LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 80 - HG LEU 68 far 0 98 0 - 6.0-7.3 HB3 LEU 82 - HG LEU 68 far 0 90 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-4.0 4.8=100 Violated in 0 structures by 0.00 A. Peak 4984 from cnoeabs.peaks (3.78, 0.51, 25.27 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + QD1 LEU 68 OK 100 100 100 100 3.7-3.8 4.0=86, 4961/2.1=79...(17) HA LYS 65 + QD1 LEU 68 OK 71 77 100 92 2.0-3.4 8125/3.1=39, 8127/3.1=38...(12) HB2 SER 58 - QD1 LEU 68 far 0 100 0 - 6.7-8.2 Violated in 0 structures by 0.00 A. Peak 4985 from cnoeabs.peaks (1.75, 0.51, 25.27 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.1-2.4 3.1=100 HB2 LEU 80 + QD1 LEU 68 OK 88 98 100 90 3.6-4.8 3.1/9922=54, 3.1/9925=30...(9) HB3 LEU 82 - QD1 LEU 68 far 0 90 0 - 6.2-8.7 HB3 LYS 94 - QD1 LEU 68 far 0 87 0 - 8.1-10.2 HG3 ARG 105 - QD1 LEU 68 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 4986 from cnoeabs.peaks (1.38, 0.51, 25.27 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.3-2.5 3.1=100 HG2 LYS 94 - QD1 LEU 68 far 0 87 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 4987 from cnoeabs.peaks (1.59, 0.51, 25.27 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 82 - QD1 LEU 68 far 0 92 0 - 5.6-6.8 HG3 LYS 96 - QD1 LEU 68 far 0 65 0 - 7.4-8.9 HB3 LEU 70 - QD1 LEU 68 far 0 65 0 - 7.4-9.1 HG2 LYS 73 - QD1 LEU 68 far 0 94 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.0 1451=100, 1449/2.1=97...(13) Violated in 0 structures by 0.00 A. Peak 4991 from cnoeabs.peaks (3.78, 0.38, 23.07 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 68 + QD2 LEU 68 OK 100 100 100 100 1.9-2.2 4961=97, 3.0/1451=42...(18) HA LYS 65 + QD2 LEU 68 OK 35 77 55 83 4.5-5.5 8125/3.1=31, 8127/3.1=30...(9) HB2 SER 58 - QD2 LEU 68 far 0 100 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 4992 from cnoeabs.peaks (1.75, 0.38, 23.07 ppm; 4.14 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 LEU 80 + QD2 LEU 68 OK 90 98 100 92 3.9-5.5 ~9922=37, 4985/2.1=37...(10) HB3 LEU 82 - QD2 LEU 68 far 0 90 0 - 7.8-10.5 HB3 LYS 94 - QD2 LEU 68 far 0 87 0 - 9.3-12.5 HB2 LEU 55 - QD2 LEU 68 far 0 81 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4993 from cnoeabs.peaks (1.38, 0.38, 23.07 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.3-3.2 3.1=100 HG2 LYS 94 - QD2 LEU 68 far 0 87 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 4994 from cnoeabs.peaks (1.59, 0.38, 23.07 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 70 - QD2 LEU 68 far 0 65 0 - 6.0-7.8 HG LEU 82 - QD2 LEU 68 far 0 92 0 - 7.0-8.7 HG2 LYS 73 - QD2 LEU 68 far 0 94 0 - 7.8-9.7 HG3 LYS 96 - QD2 LEU 68 far 0 65 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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): 2 out of 6 assignments used, quality = 1.00: * H GLU 69 + HA GLU 69 OK 100 100 100 100 2.7-2.8 2.9=100 H ALA 46 + HA LYS 44 OK 63 81 100 77 4.6-4.9 1890/3.6=45, 278/2074=37 H ASP 34 - HA GLU 37 far 0 62 0 - 5.4-5.9 H LEU 74 - HA GLU 69 far 0 65 0 - 6.1-7.3 HD21 ASN 50 - HA LYS 44 far 0 89 0 - 6.9-13.5 H GLN 100 - HA GLU 69 far 0 99 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB2 GLU 69 + HA GLU 69 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLU 48 - HA LYS 44 far 9 93 10 - 4.4-9.2 HB2 GLN 100 - HA GLU 69 far 0 94 0 - 5.4-7.3 HB2 MET 67 - HA GLU 69 far 0 100 0 - 7.3-8.6 HB2 MET 42 - HA GLU 69 far 0 92 0 - 7.6-8.7 HB2 MET 42 - HA LYS 44 far 0 81 0 - 8.0-8.7 HG3 GLU 66 - HA GLU 69 far 0 81 0 - 8.7-9.7 HB2 MET 67 - HA GLU 37 far 0 76 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 5000 from cnoeabs.peaks (2.09, 4.05, 59.42 ppm; 2.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 69 + HA GLU 69 OK 100 100 100 100 2.2-2.9 5010=89, 5013/5016=41...(23) HB3 GLU 66 - HA GLU 69 far 0 99 0 - 7.9-8.6 HG2 GLU 52 - HA LYS 44 far 0 79 0 - 8.3-17.2 Violated in 1 structures by 0.01 A. Peak 5001 from cnoeabs.peaks (2.27, 4.05, 59.42 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 69 + HA GLU 69 OK 100 100 100 100 2.1-3.8 5016=100, 5017/2.9=64...(14) HB2 GLU 37 + HA GLU 37 OK 74 74 100 100 2.4-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 5002 from cnoeabs.peaks (2.44, 4.05, 59.42 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 69 + HA GLU 69 OK 100 100 100 100 2.5-3.8 5022=100, 1.8/5016=81...(20) HG2 GLU 37 + HA GLU 37 OK 73 73 100 100 2.1-3.6 3505=98, 3506/3.0=62...(12) HG2 GLN 100 - HA GLU 69 poor 20 99 20 - 4.5-7.9 HG2 GLU 37 - HA LYS 44 far 0 90 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 5003 from cnoeabs.peaks (7.63, 2.20, 29.14 ppm; 3.51 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.1-3.2 1454=100, 1455/1.8=79...(17) H GLN 100 + HB2 GLN 100 OK 80 82 100 97 2.2-3.5 4.0=66, 6269/3.0=39...(9) H GLU 69 - HB2 GLN 100 far 0 84 0 - 6.3-8.0 H LEU 74 - HB2 GLU 69 far 0 65 0 - 7.8-9.3 H LEU 64 - HB2 GLU 69 far 0 100 0 - 9.0-10.7 H GLN 100 - HB2 GLU 69 far 0 99 0 - 9.3-11.5 H LEU 74 - HB2 GLN 100 far 0 48 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 5004 from cnoeabs.peaks (4.05, 2.20, 29.14 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.4-3.0 2.9=100 HA LYS 96 - HB2 GLN 100 far 4 72 5 - 4.7-7.5 HA GLU 69 - HB2 GLN 100 far 0 84 0 - 5.4-7.3 HA LYS 96 - HB2 GLU 69 far 0 92 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 GLU 69 + HB2 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 66 - HB2 GLU 69 far 0 99 0 - 5.3-6.9 HB3 GLU 69 - HB2 GLN 100 far 0 84 0 - 7.2-8.8 HB2 LYS 94 - HB2 GLN 100 far 0 45 0 - 9.0-12.0 HB2 GLU 103 - HB2 GLN 100 far 0 84 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 5007 from cnoeabs.peaks (2.27, 2.20, 29.14 ppm; 2.97 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.4-2.9 5017=100, 5013/1.8=76...(18) HG2 GLU 69 - HB2 GLN 100 far 0 84 0 - 5.9-9.4 HG2 GLU 103 - HB2 GLN 100 far 0 52 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 5008 from cnoeabs.peaks (2.44, 2.20, 29.14 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 100 + HB2 GLN 100 OK 82 82 100 100 2.3-3.0 3.0=100 HG2 GLN 100 - HB2 GLU 69 far 0 99 0 - 4.9-9.4 HG3 GLU 69 - HB2 GLN 100 far 0 84 0 - 5.3-9.9 HG3 GLU 98 - HB2 GLN 100 far 0 84 0 - 6.8-9.5 Violated in 0 structures by 0.00 A. Peak 5009 from cnoeabs.peaks (7.63, 2.09, 29.14 ppm; 3.49 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 69 + HB3 GLU 69 OK 100 100 100 100 3.2-3.6 1455=100, 1454/1.8=82...(14) H LYS 115 - HB3 GLU 112 far 8 83 10 - 4.9-5.7 H LEU 64 - HB3 GLU 66 far 0 92 0 - 5.1-6.8 H LYS 115 - HB2 GLU 112 far 0 85 0 - 5.2-5.9 H GLU 69 - HB3 GLU 66 far 0 92 0 - 5.5-6.2 H LEU 74 - HB3 GLU 69 far 0 65 0 - 7.2-8.6 HE21 GLN 85 - HB2 GLU 112 far 0 95 0 - 8.6-14.5 H ASP 34 - HB3 GLU 66 far 0 78 0 - 9.2-11.3 HE21 GLN 85 - HB3 GLU 112 far 0 93 0 - 9.2-13.3 H GLN 100 - HB3 GLU 69 far 0 99 0 - 9.6-10.8 Violated in 18 structures by 0.09 A. Peak 5010 from cnoeabs.peaks (4.05, 2.09, 29.14 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.2-2.9 5000=100, 5016/5013=44...(24) HA SER 35 - HB3 GLU 66 far 0 83 0 - 5.3-7.3 HA GLU 69 - HB3 GLU 66 far 0 92 0 - 7.9-8.6 Violated in 1 structures by 0.00 A. Peak 5011 from cnoeabs.peaks (2.20, 2.09, 29.14 ppm; 2.40 A): 2 out of 11 assignments used, quality = 1.00: * HB2 GLU 69 + HB3 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 66 + HB3 GLU 66 OK 68 69 100 98 2.3-2.5 4910=66, 1.8/4904=46...(25) HB2 MET 67 - HB3 GLU 66 far 0 92 0 - 4.4-6.0 HB2 GLU 69 - HB3 GLU 66 far 0 92 0 - 5.3-6.9 HB2 GLN 83 - HB3 GLU 112 far 0 80 0 - 7.0-9.0 HB2 GLN 100 - HB3 GLU 69 far 0 94 0 - 7.2-8.8 HB2 MET 42 - HB3 GLU 66 far 0 81 0 - 7.2-10.2 HG3 GLU 66 - HB3 GLU 69 far 0 81 0 - 7.3-8.5 HB2 MET 42 - HB3 GLU 69 far 0 92 0 - 7.6-9.1 HB2 GLN 83 - HB2 GLU 112 far 0 83 0 - 7.6-10.2 HB2 MET 67 - HB3 GLU 69 far 0 100 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. 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): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.7-3.0 5017/1.8=72, 3.0=71...(18) HG3 GLU 111 - HB2 GLU 112 poor 19 95 20 - 3.3-7.5 HG2 GLU 111 - HB2 GLU 112 far 11 74 15 - 3.5-7.2 HG3 GLU 111 - HB3 GLU 112 far 9 93 10 - 4.1-8.3 HG2 GLU 111 - HB3 GLU 112 far 0 71 0 - 4.2-8.3 HG2 GLU 69 - HB3 GLU 66 far 0 92 0 - 4.6-8.4 HB2 GLU 37 - HB3 GLU 66 far 0 91 0 - 9.9-12.5 HB3 ASN 8 - HB3 GLU 66 far 0 92 0 - 9.9-12.1 Violated in 20 structures by 0.31 A. Peak 5014 from cnoeabs.peaks (2.44, 2.09, 29.14 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.4-2.9 3.0=100 HG3 GLU 69 - HB3 GLU 66 far 0 92 0 - 4.9-8.0 HG2 GLN 100 - HB3 GLU 69 far 0 99 0 - 5.3-8.9 HG2 GLU 37 - HB3 GLU 66 far 0 90 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 5015 from cnoeabs.peaks (7.63, 2.27, 36.01 ppm; 3.89 A): 1 out of 10 assignments used, quality = 1.00: * H GLU 69 + HG2 GLU 69 OK 100 100 100 100 1.9-4.1 1456=100, 1454/5017=82...(13) H LYS 115 - HG2 GLU 111 far 3 52 5 - 5.2-7.9 H LYS 115 - HG3 GLU 111 far 0 89 0 - 5.6-7.3 H LEU 74 - HG2 GLU 69 far 0 65 0 - 7.2-9.9 HD21 ASN 10 - HG2 GLU 89 far 0 60 0 - 8.0-15.3 H GLN 100 - HG2 GLU 69 far 0 99 0 - 8.2-11.6 H LEU 64 - HG2 GLU 69 far 0 100 0 - 8.3-11.7 HE21 GLN 85 - HG2 GLU 89 far 0 82 0 - 8.9-14.2 HE21 GLN 85 - HG2 GLU 111 far 0 62 0 - 9.7-15.8 HE21 GLN 85 - HG3 GLU 111 far 0 98 0 - 9.9-17.2 Violated in 1 structures by 0.01 A. Peak 5016 from cnoeabs.peaks (4.05, 2.27, 36.01 ppm; 3.08 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 69 + HG2 GLU 69 OK 100 100 100 100 2.1-3.8 2.9/5017=62...(14) HA GLU 87 - HG2 GLU 89 far 0 41 0 - 5.0-7.5 HA GLU 91 - HG3 GLU 92 far 0 53 0 - 5.5-6.4 HA LYS 96 - HG3 GLU 92 far 0 78 0 - 7.1-10.2 HA GLU 87 - HG3 GLU 92 far 0 46 0 - 7.2-9.8 HA GLU 91 - HG2 GLU 89 far 0 47 0 - 7.8-10.0 HA LYS 96 - HG2 GLU 69 far 0 92 0 - 9.0-12.2 HA SER 35 - HG2 GLU 69 far 0 94 0 - 9.9-13.8 Violated in 15 structures by 0.11 A. Peak 5017 from cnoeabs.peaks (2.20, 2.27, 36.01 ppm; 2.40 A): 1 out of 6 assignments used, quality = 0.96: * HB2 GLU 69 + HG2 GLU 69 OK 96 100 100 96 2.4-2.9 5007=53, 1.8/5013=52...(16) HG3 GLU 66 - HG2 GLU 69 far 0 81 0 - 5.4-9.5 HB2 GLN 100 - HG2 GLU 69 far 0 94 0 - 5.9-9.4 HB2 MET 67 - HG2 GLU 69 far 0 100 0 - 6.2-9.8 HB2 MET 42 - HG2 GLU 69 far 0 92 0 - 6.5-9.7 HB2 GLN 83 - HG3 GLU 111 far 0 86 0 - 9.7-12.9 Violated in 20 structures by 0.08 A. Peak 5018 from cnoeabs.peaks (2.09, 2.27, 36.01 ppm; 2.41 A): 4 out of 18 assignments used, quality = 1.00: * HB3 GLU 69 + HG2 GLU 69 OK 99 100 100 99 2.7-3.0 5013=73, 1.8/5017=60...(15) HB2 GLU 111 + HG3 GLU 111 OK 61 89 100 69 2.4-3.0 3.0=51, 3.0/6596=13...(7) HB3 GLU 92 + HG3 GLU 92 OK 51 53 100 96 2.7-3.0 3.0=52, 1.8/5858=50...(22) HB2 GLU 111 + HG2 GLU 111 OK 35 52 100 67 2.3-3.0 3.0=51, 3.0/6595=10...(6) HB2 GLU 112 - HG2 GLU 111 far 6 60 10 - 3.5-7.2 HB2 GLU 112 - HG3 GLU 111 far 5 97 5 - 3.3-7.5 HB3 GLU 112 - HG3 GLU 111 far 0 96 0 - 4.1-8.3 HB3 GLU 112 - HG2 GLU 111 far 0 59 0 - 4.2-8.3 HB3 GLU 66 - HG2 GLU 69 far 0 99 0 - 4.6-8.4 HB3 GLU 92 - HG2 GLU 89 far 0 47 0 - 5.2-8.4 HG2 GLU 21 - HG2 GLU 111 far 0 36 0 - 6.2-12.1 HB2 LYS 94 - HG3 GLU 92 far 0 50 0 - 6.2-8.7 HG3 GLU 21 - HG3 GLU 111 far 0 74 0 - 6.5-10.4 HG3 GLU 21 - HG2 GLU 111 far 0 41 0 - 6.6-10.9 HG2 GLU 21 - HG3 GLU 111 far 0 66 0 - 6.6-11.1 HB2 GLU 87 - HG2 GLU 89 far 0 80 0 - 6.9-9.1 HB2 GLU 87 - HG3 GLU 92 far 0 87 0 - 7.5-11.3 HB2 LYS 94 - HG2 GLU 89 far 0 44 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 5019 from cnoeabs.peaks (2.27, 2.27, 36.01 ppm; diagonal): 5 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 3 assignments used, quality = 1.00: * HG3 GLU 69 + HG2 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 100 - HG2 GLU 69 far 0 99 0 - 4.3-8.3 HG3 GLU 98 - HG3 GLU 92 far 0 90 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 5021 from cnoeabs.peaks (7.63, 2.44, 36.01 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.0-3.8 1457=100, 1455/5024=72...(12) H GLN 100 - HG3 GLU 69 far 0 99 0 - 7.4-12.2 H LEU 74 - HG3 GLU 69 far 0 65 0 - 7.7-9.9 H LEU 64 - HG3 GLU 69 far 0 100 0 - 8.9-10.5 Violated in 1 structures by 0.00 A. Peak 5022 from cnoeabs.peaks (4.05, 2.44, 36.01 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.5-3.8 5016/1.8=79...(20) HA LYS 96 - HG3 GLU 69 far 0 92 0 - 8.7-13.6 Violated in 4 structures by 0.07 A. Peak 5023 from cnoeabs.peaks (2.20, 2.44, 36.01 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 100 - HG3 GLU 69 far 0 94 0 - 5.3-9.9 HG3 GLU 66 - HG3 GLU 69 far 0 81 0 - 6.4-8.7 HB2 MET 42 - HG3 GLU 69 far 0 92 0 - 6.6-10.5 HB2 MET 67 - HG3 GLU 69 far 0 100 0 - 6.6-9.4 Violated in 0 structures by 0.00 A. Peak 5024 from cnoeabs.peaks (2.09, 2.44, 36.01 ppm; 2.56 A): 1 out of 2 assignments used, quality = 0.98: * HB3 GLU 69 + HG3 GLU 69 OK 98 100 100 98 2.4-2.9 3.0=62, 5013/1.8=59...(15) HB3 GLU 66 - HG3 GLU 69 far 0 99 0 - 4.9-8.0 Violated in 1 structures by 0.02 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 73 + HA LEU 70 OK 94 98 100 96 3.5-3.9 2126=77, 2125/3.6=29...(10) Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 MET 42 + HA LEU 70 OK 51 96 65 82 4.5-6.1 5043/3.0=29...(10) HB3 GLU 41 - HA LEU 70 far 0 97 0 - 8.6-10.5 HB3 LYS 39 - HA LEU 70 far 0 98 0 - 8.6-11.3 HB2 LYS 39 - HA LEU 70 far 0 96 0 - 8.8-11.7 HB2 GLU 41 - HA LEU 70 far 0 96 0 - 8.9-10.9 HB3 LYS 65 - HA LEU 70 far 0 94 0 - 9.2-11.4 HB2 LYS 65 - HA LEU 70 far 0 96 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 5030 from cnoeabs.peaks (1.57, 4.16, 57.77 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 68 - HA LEU 70 far 0 65 0 - 8.9-9.2 HB VAL 78 - HA LEU 70 far 0 84 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 5031 from cnoeabs.peaks (1.85, 4.16, 57.77 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-2.7 3.6=97, 2.1/5063=81...(15) QE MET 42 - HA LEU 70 far 3 65 5 - 4.6-7.0 Violated in 0 structures by 0.00 A. Peak 5032 from cnoeabs.peaks (0.91, 4.16, 57.77 ppm; 3.08 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.4-3.3 5063=100, 2.1/5056=56...(17) * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 3.4-3.9 5056=77, 2.1/5063=64...(16) QD2 LEU 38 - HA LEU 70 far 0 70 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 5033 from cnoeabs.peaks (0.90, 4.16, 57.77 ppm; 3.06 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.4-3.3 5063=100, 2.1/5056=56...(17) QD1 LEU 70 + HA LEU 70 OK 99 100 100 100 3.4-3.9 5056=76, 2.1/5063=64...(16) QD2 LEU 38 - HA LEU 70 far 0 81 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 5034 from cnoeabs.peaks (7.72, 1.94, 41.94 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-3.6 3.8=100 H LYS 73 - HB2 LEU 70 poor 16 98 25 64 5.1-5.9 2126/3.0=51, 2125/4.5=25 H GLU 47 - HB2 LEU 70 far 0 99 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 5035 from cnoeabs.peaks (4.16, 1.94, 41.94 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HA ALA 124 + HB2 LEU 127 OK 39 47 100 83 2.9-5.0 10653/3.1=32...(9) HA LEU 45 - HB2 LEU 70 far 0 84 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HB3 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 3 - HB2 LEU 127 lone 9 68 75 18 3.4-5.0 ~11522=7, 2.1/10654=7, ~11523=5 HG2 LYS 123 - HB2 LEU 127 far 0 75 0 - 6.8-10.7 HG LEU 68 - HB2 LEU 70 far 0 65 0 - 7.2-9.0 HG2 LYS 44 - HB2 LEU 70 far 0 87 0 - 8.2-11.2 HB VAL 78 - HB2 LEU 70 far 0 84 0 - 8.4-10.0 HB VAL 78 - HB2 LEU 127 far 0 59 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 5038 from cnoeabs.peaks (1.85, 1.94, 41.94 ppm; 3.20 A): 4 out of 7 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HG LEU 127 + HB2 LEU 127 OK 66 66 100 100 2.3-2.4 3.0=100 QE MET 42 + HB2 LEU 70 OK 43 65 80 82 2.3-5.3 5045/1.8=22, 9430/3.1=17...(18) HB3 LYS 77 + HB2 LEU 127 OK 26 72 55 65 3.6-5.8 ~11287=14, ~11289=13...(12) HB2 LYS 77 - HB2 LEU 127 far 7 75 10 - 4.2-6.1 QE MET 121 - HB2 LEU 127 far 0 44 0 - 8.4-11.8 HD2 LYS 123 - HB2 LEU 127 far 0 75 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 5039 from cnoeabs.peaks (0.91, 1.94, 41.94 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-3.0 3.1=100 QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.1 3.1=100 QD2 LEU 38 - HB2 LEU 70 far 0 70 0 - 5.5-8.0 Violated in 0 structures by 0.00 A. Peak 5040 from cnoeabs.peaks (0.90, 1.94, 41.94 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.1 3.1=100 QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.9-3.0 3.1=100 QD2 LEU 38 - HB2 LEU 70 far 0 81 0 - 5.5-8.0 Violated in 0 structures by 0.00 A. Peak 5041 from cnoeabs.peaks (7.72, 1.57, 41.94 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.2-3.6 3.8=100 H LYS 73 - HB3 LEU 70 far 5 98 5 - 5.3-6.0 H GLU 47 - HB3 LEU 70 far 0 99 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 5042 from cnoeabs.peaks (4.16, 1.57, 41.94 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 45 - HB3 LEU 70 far 0 84 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5043 from cnoeabs.peaks (1.94, 1.57, 41.94 ppm; 2.98 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 42 + HB3 LEU 70 OK 84 96 100 88 2.0-4.1 5057/5058=20...(22) HB3 GLU 41 - HB3 LEU 70 far 0 97 0 - 6.4-7.9 HB2 GLU 41 - HB3 LEU 70 far 0 96 0 - 6.4-8.2 HB3 LYS 39 - HB3 LEU 70 far 0 98 0 - 7.1-9.4 HB2 LYS 39 - HB3 LEU 70 far 0 96 0 - 7.4-9.8 HB2 LYS 65 - HB3 LEU 70 far 0 96 0 - 8.8-11.0 HB3 LYS 65 - HB3 LEU 70 far 0 94 0 - 8.9-10.8 HB3 LYS 40 - HB3 LEU 70 far 0 100 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 QE MET 42 + HB3 LEU 70 OK 53 65 95 85 2.9-5.0 9430/3.1=19, 4.2/5043=19...(18) Violated in 0 structures by 0.00 A. Peak 5046 from cnoeabs.peaks (0.91, 1.57, 41.94 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-2.8 3.1=100 QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-3.1 3.1=100 QD2 LEU 38 - HB3 LEU 70 far 0 70 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 5047 from cnoeabs.peaks (0.90, 1.57, 41.94 ppm; 3.13 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 99 100 100 99 2.0-3.1 3.1=99 QD1 LEU 70 + HB3 LEU 70 OK 99 100 100 99 1.9-2.8 3.1=99 QD2 LEU 38 - HB3 LEU 70 far 0 81 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 5048 from cnoeabs.peaks (7.72, 1.85, 26.77 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HG LEU 70 OK 100 100 100 100 2.6-3.4 1462=100, 1460/3.0=60...(13) H LYS 73 - HG LEU 70 far 0 98 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 5049 from cnoeabs.peaks (4.16, 1.85, 26.77 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-2.7 3.6=100 HA ALA 124 + HG LEU 127 OK 45 51 100 89 2.0-3.0 10653/2.1=45...(9) Violated in 0 structures by 0.00 A. Peak 5050 from cnoeabs.peaks (1.94, 1.85, 26.77 ppm; 3.21 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 MET 42 + HG LEU 70 OK 77 96 85 95 3.9-5.2 5057/2.1=30, 5064/2.1=29...(22) HB2 LEU 127 + HG LEU 127 OK 73 73 100 100 2.3-2.4 3.0=100 HB2 LYS 123 - HG LEU 127 far 4 75 5 - 4.5-8.1 HB3 GLU 128 - HG LEU 127 far 0 66 0 - 5.3-7.2 HB2 LYS 39 - HG LEU 70 far 0 96 0 - 6.7-9.9 HB3 LYS 39 - HG LEU 70 far 0 98 0 - 7.0-10.0 HB2 GLU 41 - HG LEU 70 far 0 96 0 - 7.9-9.9 HB3 LYS 65 - HG LEU 70 far 0 94 0 - 8.0-11.2 HB2 LYS 65 - HG LEU 70 far 0 96 0 - 8.1-10.7 HB3 GLU 41 - HG LEU 70 far 0 97 0 - 8.3-9.7 HB3 GLU 52 - HG LEU 127 far 0 71 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 5051 from cnoeabs.peaks (1.57, 1.85, 26.77 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.7-3.0 3.0=100 HG12 ILE 3 - HG LEU 127 poor 18 73 25 - 4.6-6.3 HG2 LYS 123 - HG LEU 127 lone 2 80 30 10 4.5-8.5 4.7/7656=7, ~7211=2 HG LEU 68 - HG LEU 70 far 0 65 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 38 - HG LEU 70 far 0 70 0 - 4.9-7.7 Violated in 0 structures by 0.00 A. Peak 5054 from cnoeabs.peaks (0.90, 1.85, 26.77 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 38 - HG LEU 70 far 0 81 0 - 4.9-7.7 Violated in 0 structures by 0.00 A. Peak 5055 from cnoeabs.peaks (7.72, 0.91, 25.18 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.4-3.3 1462/2.1=92, 5062/2.1=81...(15) H LYS 73 - QD1 LEU 70 far 0 98 0 - 6.2-6.8 H GLU 47 - QD1 LEU 70 far 0 99 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 5056 from cnoeabs.peaks (4.16, 0.91, 25.18 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.4-3.9 5063/2.1=74, 3.8=71...(16) HA LEU 45 - QD1 LEU 70 far 0 84 0 - 9.1-10.6 Violated in 20 structures by 0.34 A. Peak 5057 from cnoeabs.peaks (1.94, 0.91, 25.18 ppm; 3.27 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-3.0 3.1=100 HB3 MET 42 + QD1 LEU 70 OK 94 96 100 99 1.9-4.1 3.0/11368=45...(24) HB3 LYS 39 - QD1 LEU 70 poor 20 98 20 - 4.4-6.6 HB2 LYS 39 - QD1 LEU 70 far 14 96 15 - 4.2-6.4 HB2 GLU 41 - QD1 LEU 70 far 14 96 15 - 4.6-6.4 HB3 GLU 41 - QD1 LEU 70 far 0 97 0 - 5.0-6.7 HB2 LYS 65 - QD1 LEU 70 far 0 96 0 - 6.4-8.6 HB3 LYS 65 - QD1 LEU 70 far 0 94 0 - 6.7-8.1 HB3 LYS 40 - QD1 LEU 70 far 0 100 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 5058 from cnoeabs.peaks (1.57, 0.91, 25.18 ppm; 3.06 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.8 3.1=93, 3.0/5056=43...(13) HG LEU 68 - QD1 LEU 70 far 0 65 0 - 6.8-7.5 HG2 LYS 44 - QD1 LEU 70 far 0 87 0 - 7.2-9.6 HB VAL 78 - QD1 LEU 70 far 0 84 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 5059 from cnoeabs.peaks (1.85, 0.91, 25.18 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 42 + QD1 LEU 70 OK 48 65 80 92 3.1-4.7 3.3/11368=35...(20) Violated in 0 structures by 0.00 A. 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 = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.9-4.3 1462/2.1=85, 3.0/5063=76...(15) H LYS 73 - QD2 LEU 70 far 0 98 0 - 5.5-6.4 H GLU 47 - QD2 LEU 70 far 0 99 0 - 7.1-9.4 Violated in 20 structures by 0.20 A. Peak 5063 from cnoeabs.peaks (4.16, 0.90, 23.17 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 70 + QD2 LEU 70 OK 99 100 100 99 2.4-3.3 5056/2.1=54, 3.8=52...(17) HA LEU 45 - QD2 LEU 70 far 0 84 0 - 8.2-9.9 Violated in 6 structures by 0.08 A. Peak 5064 from cnoeabs.peaks (1.94, 0.90, 23.17 ppm; 3.35 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-3.1 3.1=100 HB3 MET 42 + QD2 LEU 70 OK 94 96 100 98 1.9-3.2 5057/2.1=33...(24) HB3 LYS 39 - QD2 LEU 70 far 15 98 15 - 4.4-6.9 HB2 LYS 39 - QD2 LEU 70 far 5 96 5 - 4.6-7.2 HB2 GLU 41 - QD2 LEU 70 far 0 96 0 - 5.6-7.8 HB3 GLU 41 - QD2 LEU 70 far 0 97 0 - 5.8-7.2 HB3 LYS 40 - QD2 LEU 70 far 0 100 0 - 6.9-8.8 HB2 LYS 65 - QD2 LEU 70 far 0 96 0 - 8.6-10.6 HB3 LYS 65 - QD2 LEU 70 far 0 94 0 - 8.6-10.5 HB3 GLU 52 - QD2 LEU 70 far 0 92 0 - 9.6-17.8 Violated in 0 structures by 0.00 A. Peak 5065 from cnoeabs.peaks (1.57, 0.90, 23.17 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-3.1 3.1=100 HG2 LYS 44 - QD2 LEU 70 far 0 87 0 - 6.8-9.4 HG LEU 68 - QD2 LEU 70 far 0 65 0 - 8.8-9.3 HB VAL 78 - QD2 LEU 70 far 0 84 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 5066 from cnoeabs.peaks (1.85, 0.90, 23.17 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 42 - QD2 LEU 70 poor 13 65 20 - 4.1-5.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 10 assignments used, quality = 1.00: * HB ILE 71 + HA ILE 71 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 73 + HA ILE 71 OK 25 100 35 71 4.9-7.1 4.3/9790=33, 2.9/9773=30...(5) HB3 LYS 73 - HA ILE 71 far 10 100 10 - 5.0-6.9 HG LEU 45 - HA ILE 71 far 0 81 0 - 6.0-8.0 HB2 LEU 45 - HA ILE 71 far 0 96 0 - 6.0-7.7 QE MET 67 - HA ILE 71 far 0 73 0 - 7.7-8.8 HB3 LYS 43 - HA ILE 71 far 0 99 0 - 9.1-11.4 HB2 LYS 43 - HA ILE 71 far 0 90 0 - 9.2-11.2 HB2 LYS 44 - HA ILE 71 far 0 77 0 - 9.4-12.3 HB3 LYS 44 - HA ILE 71 far 0 92 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 5072 from cnoeabs.peaks (0.82, 3.74, 64.24 ppm; 3.23 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + HA ILE 71 OK 100 100 100 100 1.9-2.6 3.2=100 QD2 LEU 74 + HA ILE 71 OK 79 100 85 93 3.2-5.1 2.1/9819=40, 11347=37...(21) QD1 LEU 74 + HA ILE 71 OK 78 100 80 97 1.9-5.1 9819=44, 2.1/11347=36...(24) QD1 LEU 64 - HA ILE 71 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 5073 from cnoeabs.peaks (1.69, 3.74, 64.24 ppm; 3.95 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 71 + HA ILE 71 OK 100 100 100 100 2.6-3.8 3.9=100 HG LEU 74 + HA ILE 71 OK 91 92 100 99 2.1-4.0 2.1/9819=63...(19) HD2 LYS 73 - HA ILE 71 far 5 94 5 - 4.6-8.3 HD3 LYS 73 - HA ILE 71 far 5 92 5 - 3.9-8.2 HD2 LYS 43 - HA ILE 71 far 0 77 0 - 6.9-11.8 HD3 LYS 43 - HA ILE 71 far 0 92 0 - 7.3-10.2 HB ILE 56 - HA ILE 71 far 0 99 0 - 8.8-10.0 HB ILE 54 - HA ILE 71 far 0 87 0 - 8.8-10.9 HD2 LYS 44 - HA ILE 71 far 0 97 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 5074 from cnoeabs.peaks (1.02, 3.74, 64.24 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 71 + HA ILE 71 OK 100 100 100 100 2.5-4.2 3.9=100 HG3 LYS 2 - HA ILE 71 far 0 84 0 - 6.8-10.8 QD1 LEU 127 - HA ILE 71 far 0 92 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 5075 from cnoeabs.peaks (0.65, 3.74, 64.24 ppm; 4.44 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 71 + HA ILE 71 OK 100 100 100 100 2.1-4.1 4.2=100 QD1 LEU 4 + HA ILE 71 OK 32 87 45 82 4.0-7.0 9037/4572=40...(9) QD1 ILE 56 - HA ILE 71 far 0 97 0 - 8.0-9.1 QD1 ILE 54 - HA ILE 71 far 0 61 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 5076 from cnoeabs.peaks (8.60, 1.90, 37.90 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 71 + HB ILE 71 OK 100 100 100 100 2.3-3.6 1467=100, 5083/2.1=69...(10) H LEU 80 - HB ILE 71 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 5077 from cnoeabs.peaks (3.74, 1.90, 37.90 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 71 + HB ILE 71 OK 100 100 100 100 2.6-3.0 3.0=100 HA2 GLY 101 - HB ILE 71 far 0 77 0 - 7.6-11.3 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + HB ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 74 + HB ILE 71 OK 58 100 60 96 4.1-7.3 9819/3.0=40, ~11347=22...(24) QD2 LEU 74 - HB ILE 71 far 0 100 0 - 5.7-7.3 QD1 LEU 64 - HB ILE 71 far 0 100 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 5080 from cnoeabs.peaks (1.69, 1.90, 37.90 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: * HG12 ILE 71 + HB ILE 71 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 74 + HB ILE 71 OK 23 92 25 99 4.9-6.8 5087/2.1=36, ~9819=36...(22) HD3 LYS 73 - HB ILE 71 far 0 92 0 - 6.4-9.6 HD2 LYS 73 - HB ILE 71 far 0 94 0 - 6.9-10.3 HB ILE 56 - HB ILE 71 far 0 99 0 - 7.5-9.2 HB ILE 54 - HB ILE 71 far 0 87 0 - 8.3-12.0 HD2 LYS 43 - HB ILE 71 far 0 77 0 - 9.4-14.0 HD3 LYS 43 - HB ILE 71 far 0 92 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 5081 from cnoeabs.peaks (1.02, 1.90, 37.90 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 71 + HB ILE 71 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 2 - HB ILE 71 far 0 84 0 - 6.9-12.3 HG12 ILE 97 - HB ILE 71 far 0 61 0 - 8.4-13.1 QD1 LEU 127 - HB ILE 71 far 0 92 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 5082 from cnoeabs.peaks (0.65, 1.90, 37.90 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 71 + HB ILE 71 OK 100 100 100 100 2.4-3.2 3.2=100 QD1 LEU 4 - HB ILE 71 poor 18 87 30 69 3.5-7.9 5089/2.1=28, ~9789=12...(14) QD1 ILE 56 - HB ILE 71 far 0 97 0 - 7.3-9.6 QD1 ILE 54 - HB ILE 71 far 0 61 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 5083 from cnoeabs.peaks (8.60, 0.82, 18.37 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 71 + QG2 ILE 71 OK 100 100 100 100 2.8-3.8 4.0=96, 1467/2.1=83...(12) H LEU 80 - QG2 ILE 71 far 0 100 0 - 7.5-10.0 H ALA 124 - QG2 ILE 71 far 0 100 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 5084 from cnoeabs.peaks (3.74, 0.82, 18.37 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 71 + QG2 ILE 71 OK 100 100 100 100 1.9-2.6 3.2=100 HA2 GLY 101 - QG2 ILE 71 far 0 77 0 - 6.8-11.4 Violated in 0 structures by 0.00 A. Peak 5085 from cnoeabs.peaks (1.90, 0.82, 18.37 ppm; 3.17 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 71 + QG2 ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 45 - QG2 ILE 71 lone 2 81 25 8 4.4-7.5 4609/9798=4, 4621/9799=4 HB2 LEU 45 - QG2 ILE 71 far 0 96 0 - 4.9-7.6 QE MET 67 - QG2 ILE 71 far 0 73 0 - 5.3-7.6 HB2 LYS 73 - QG2 ILE 71 far 0 100 0 - 6.1-8.0 HB3 LYS 73 - QG2 ILE 71 far 0 100 0 - 6.2-7.7 HB2 LYS 44 - QG2 ILE 71 far 0 77 0 - 6.9-11.1 HB3 LYS 44 - QG2 ILE 71 far 0 92 0 - 7.5-11.3 HB2 LYS 43 - QG2 ILE 71 far 0 90 0 - 7.6-11.2 HB3 LYS 43 - QG2 ILE 71 far 0 99 0 - 7.9-11.5 Violated in 0 structures by 0.00 A. 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): 2 out of 13 assignments used, quality = 1.00: * HG12 ILE 71 + QG2 ILE 71 OK 100 100 100 100 2.4-3.2 3.2=100 HG LEU 74 + QG2 ILE 71 OK 90 92 100 98 3.6-5.4 3.0/9789=38, ~9819=30...(23) HB ILE 56 - QG2 ILE 71 far 5 99 5 - 5.2-7.2 HD3 LYS 73 - QG2 ILE 71 far 5 92 5 - 5.3-8.7 HB ILE 54 - QG2 ILE 71 far 4 87 5 - 5.4-8.5 HD2 LYS 73 - QG2 ILE 71 far 0 94 0 - 5.8-9.0 HD2 LYS 43 - QG2 ILE 71 far 0 77 0 - 7.1-12.1 HD3 LYS 43 - QG2 ILE 71 far 0 92 0 - 7.2-10.7 HD2 LYS 44 - QG2 ILE 71 far 0 97 0 - 8.2-13.1 HD3 LYS 44 - QG2 ILE 71 far 0 94 0 - 8.3-13.5 HD2 LYS 39 - QG2 ILE 71 far 0 87 0 - 9.2-14.9 HD2 LYS 40 - QG2 ILE 71 far 0 87 0 - 9.8-14.5 HD3 LYS 40 - QG2 ILE 71 far 0 84 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 5088 from cnoeabs.peaks (1.02, 0.82, 18.37 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 71 + QG2 ILE 71 OK 100 100 100 100 2.3-3.2 3.2=100 HG3 LYS 2 - QG2 ILE 71 poor 17 84 20 - 4.8-8.2 QD1 LEU 127 - QG2 ILE 71 far 0 92 0 - 6.6-9.1 HG12 ILE 97 - QG2 ILE 71 far 0 61 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 5089 from cnoeabs.peaks (0.65, 0.82, 18.37 ppm; 2.84 A): 2 out of 4 assignments used, quality = 0.95: * QD1 ILE 71 + QG2 ILE 71 OK 91 100 100 91 1.8-2.1 3.3=67, 1471/5083=22...(25) QD1 LEU 4 + QG2 ILE 71 OK 43 87 75 65 1.8-4.9 9037/9798=16...(16) QD1 ILE 56 - QG2 ILE 71 far 0 97 0 - 5.0-7.5 QD1 ILE 54 - QG2 ILE 71 far 0 61 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 5090 from cnoeabs.peaks (8.60, 1.69, 28.69 ppm; 4.64 A): 2 out of 7 assignments used, quality = 1.00: * H ILE 71 + HG12 ILE 71 OK 100 100 100 100 1.4-3.4 4.6=100 H LYS 94 + HD3 LYS 96 OK 25 52 95 50 5.0-6.2 2163/5.7=26...(5) H ILE 71 - HD3 LYS 73 poor 20 78 25 - 5.1-8.0 H LYS 94 - HD2 LYS 96 poor 16 44 70 51 5.1-7.1 2163/5.7=26...(4) H ILE 71 - HD2 LYS 73 far 4 83 5 - 4.8-8.6 H ILE 71 - HD3 LYS 43 far 0 78 0 - 7.6-10.2 H LEU 80 - HG12 ILE 71 far 0 100 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 5091 from cnoeabs.peaks (3.74, 1.69, 28.69 ppm; 4.60 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 71 + HG12 ILE 71 OK 100 100 100 100 2.6-3.8 3.9=100 HA ILE 71 - HD2 LYS 73 poor 19 83 30 78 4.6-8.3 9773/3.0=45, 2124/6.4=26...(9) HA ILE 71 - HD3 LYS 73 far 4 78 5 - 3.9-8.2 HA ILE 71 - HD3 LYS 43 far 0 78 0 - 7.3-10.2 HA LYS 61 - HD3 LYS 96 far 0 38 0 - 9.0-12.7 HA2 GLY 101 - HD3 LYS 73 far 0 53 0 - 9.2-15.8 HA2 GLY 101 - HG12 ILE 71 far 0 77 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. Peak 5092 from cnoeabs.peaks (1.90, 1.69, 28.69 ppm; 2.70 A): 13 out of 47 assignments used, quality = 1.00: * HB ILE 71 + HG12 ILE 71 OK 90 100 100 90 2.4-3.0 3.0=71, 1467/1469=19...(10) HB2 LYS 20 + HD2 LYS 20 OK 87 88 100 99 2.2-4.2 3.4=48, 2.9/3078=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 87 88 100 99 2.2-4.0 3.4=48, 2.9/3078=23...(77) HB3 LYS 20 + HD3 LYS 20 OK 84 85 100 99 2.3-3.8 3.4=48, 2.9/3078=23...(78) HB2 LYS 73 + HD2 LYS 73 OK 81 82 100 98 2.1-3.6 3.8=34, 2.9/5170=21...(85) HB3 LYS 73 + HD2 LYS 73 OK 81 82 100 98 2.1-4.2 3.8=34, 2.9/5170=21...(83) HB2 LYS 73 + HD3 LYS 73 OK 77 78 100 98 2.0-4.0 3.8=34, 2.9/5170=21...(85) HB3 LYS 73 + HD3 LYS 73 OK 77 78 100 98 2.3-3.7 3.8=34, 2.9/5170=21...(83) HB3 LYS 43 + HD3 LYS 43 OK 73 75 100 97 2.7-3.7 3.8=35, 3.0/3847=19...(70) HB2 LYS 20 + HD3 LYS 20 OK 63 85 75 99 2.0-4.2 3.4=48, 2.9/3078=23...(78) HB2 LYS 96 + HD3 LYS 96 OK 55 56 100 99 3.5-4.1 3.4=48, 1.8/6098=27...(77) HB2 LYS 43 + HD3 LYS 43 OK 50 64 80 98 3.8-4.2 3.8=35, 3.0/3847=19...(80) HB2 LYS 96 + HD2 LYS 96 OK 47 47 100 100 3.5-3.8 3.4=48, 1.8/6098=27...(78) HB2 ARG 95 - HD2 LYS 96 poor 16 50 70 47 2.8-6.0 7789/5.7=10, 6028/1.8=9...(12) HB2 ARG 95 - HD3 LYS 96 poor 15 58 25 - 2.5-6.0 HB2 LYS 16 - HD3 LYS 20 far 6 59 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 3 63 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 65 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 62 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 73 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 81 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 78 0 - 6.0-10.7 HB ILE 71 - HD3 LYS 73 far 0 78 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 100 0 - 6.7-10.2 HB ILE 71 - HD2 LYS 73 far 0 83 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 71 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 96 0 - 6.9-10.2 HG LEU 45 - HD3 LYS 43 far 0 56 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 100 0 - 7.1-9.0 HB3 LYS 73 - HD3 LYS 43 far 0 78 0 - 7.3-10.7 HB3 LYS 44 - HD3 LYS 43 far 0 67 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 49 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 53 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 75 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 75 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 71 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 51 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 64 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 80 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 56 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 90 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 50 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 60 0 - 9.2-13.4 HB3 LYS 44 - HG12 ILE 71 far 0 92 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 78 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 68 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 54 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 5093 from cnoeabs.peaks (0.82, 1.69, 28.69 ppm; 3.81 A): 5 out of 21 assignments used, quality = 1.00: * QG2 ILE 71 + HG12 ILE 71 OK 100 100 100 100 2.4-3.2 3.2=100 QD2 LEU 74 + HD2 LYS 73 OK 40 82 70 70 2.1-7.4 5250/3.0=18, 5252=16...(16) QD1 LEU 74 + HG12 ILE 71 OK 37 100 40 92 3.4-8.1 9819/3.9=40, 5100/1.8=27...(19) QD2 LEU 74 + HD3 LYS 73 OK 31 78 65 61 2.0-7.3 5250/3.0=18, 5252/1.8=16...(13) QD1 LEU 74 + HD2 LYS 73 OK 23 83 40 68 1.9-7.7 5243/3.0=15, 2.1/5252=14...(17) QD1 LEU 74 - HD3 LYS 73 poor 18 78 40 59 3.2-7.6 5243/3.0=15, ~5250=10...(14) QD2 LEU 74 - HG12 ILE 71 far 5 100 5 - 5.3-8.1 QG2 ILE 71 - HD3 LYS 73 far 4 78 5 - 5.3-8.7 QG1 VAL 29 - HD2 LYS 20 far 3 58 5 - 5.2-9.9 QG1 VAL 29 - HD3 LYS 20 far 3 56 5 - 5.3-10.3 QD2 LEU 74 - HD3 LYS 43 lone 0 78 55 0 3.7-6.6 QD1 LEU 74 - HD3 LYS 43 lone 0 78 35 0 4.2-7.0 QG2 ILE 71 - HD2 LYS 73 far 0 83 0 - 5.8-9.0 QD1 LEU 114 - HD3 LYS 20 far 0 72 0 - 6.5-9.0 QD1 LEU 64 - HD3 LYS 96 far 0 57 0 - 6.6-11.0 QD1 LEU 64 - HG12 ILE 71 far 0 100 0 - 7.0-8.5 QG2 ILE 71 - HD3 LYS 43 far 0 78 0 - 7.2-10.7 QD1 LEU 114 - HD2 LYS 20 far 0 75 0 - 7.3-8.9 QD2 LEU 82 - HD3 LYS 96 far 0 52 0 - 7.3-9.8 QD1 LEU 64 - HD2 LYS 96 far 0 49 0 - 7.4-11.1 QD2 LEU 82 - HD2 LYS 96 far 0 44 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 5094 from cnoeabs.peaks (1.69, 1.69, 28.69 ppm; diagonal): 8 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 10 assignments used, quality = 1.00: * HG13 ILE 71 + HG12 ILE 71 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 97 - HD3 LYS 96 far 0 29 0 - 5.8-8.5 HG12 ILE 97 - HD2 LYS 96 far 0 24 0 - 6.0-8.3 HG13 ILE 71 - HD2 LYS 73 far 0 83 0 - 6.5-10.3 HG13 ILE 71 - HD3 LYS 73 far 0 78 0 - 6.6-11.0 HG13 ILE 71 - HD3 LYS 43 far 0 78 0 - 8.0-12.4 HG12 ILE 97 - HG12 ILE 71 far 0 61 0 - 8.2-11.2 HG2 LYS 61 - HD3 LYS 96 far 0 53 0 - 8.2-13.4 HG3 LYS 2 - HG12 ILE 71 far 0 84 0 - 9.2-13.1 HG2 LYS 61 - HD2 LYS 96 far 0 45 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 5096 from cnoeabs.peaks (0.65, 1.69, 28.69 ppm; 3.74 A): 1 out of 15 assignments used, quality = 1.00: * QD1 ILE 71 + HG12 ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 4 - HG12 ILE 71 poor 16 87 30 61 4.4-7.9 5089/3.2=22, 5103/1.8=11...(11) QD1 ILE 56 - HG12 ILE 71 far 0 97 0 - 6.3-8.3 QD2 LEU 114 - HD3 LYS 20 far 0 59 0 - 6.4-9.5 QG1 VAL 22 - HD3 LYS 20 far 0 59 0 - 6.4-8.8 QG1 VAL 22 - HD2 LYS 20 far 0 62 0 - 6.4-8.7 QD2 LEU 114 - HD2 LYS 20 far 0 62 0 - 6.7-9.8 QD1 ILE 71 - HD3 LYS 73 far 0 78 0 - 7.2-10.1 QD1 ILE 71 - HD2 LYS 73 far 0 83 0 - 7.2-10.4 QD1 ILE 71 - HD3 LYS 43 far 0 78 0 - 7.4-10.6 QD1 LEU 4 - HD3 LYS 73 far 0 62 0 - 7.9-13.2 QD1 LEU 4 - HD2 LYS 73 far 0 65 0 - 8.2-13.2 QD1 LEU 4 - HD3 LYS 43 far 0 62 0 - 8.8-12.0 QD1 ILE 54 - HG12 ILE 71 far 0 61 0 - 9.5-11.7 HG13 ILE 15 - HD3 LYS 20 far 0 52 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 5097 from cnoeabs.peaks (8.60, 1.02, 28.69 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 71 + HG13 ILE 71 OK 100 100 100 100 1.8-4.0 1470=100, 1471/2.1=83...(12) H LEU 80 - HG13 ILE 71 far 0 100 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 5098 from cnoeabs.peaks (3.74, 1.02, 28.69 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 71 + HG13 ILE 71 OK 100 100 100 100 2.5-4.2 3.9=100 HA2 GLY 101 - HG13 ILE 71 far 0 77 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 5099 from cnoeabs.peaks (1.90, 1.02, 28.69 ppm; 4.60 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 71 + HG13 ILE 71 OK 100 100 100 100 2.3-3.0 3.0=100 QE MET 67 + HG13 ILE 71 OK 39 73 55 96 5.0-7.8 ~9720=41, ~9781=41...(8) HB2 LEU 45 - HG13 ILE 71 far 5 96 5 - 5.9-10.3 HG LEU 45 - HG13 ILE 71 far 4 81 5 - 5.1-10.4 HB3 LYS 73 - HG13 ILE 71 far 0 100 0 - 7.1-10.1 HB2 LYS 73 - HG13 ILE 71 far 0 100 0 - 7.3-9.6 HB2 LYS 43 - HG13 ILE 71 far 0 90 0 - 9.1-13.1 HB2 LYS 44 - HG13 ILE 71 far 0 77 0 - 9.3-14.3 HB3 LYS 44 - HG13 ILE 71 far 0 92 0 - 9.3-13.2 HB3 LYS 43 - HG13 ILE 71 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 5100 from cnoeabs.peaks (0.82, 1.02, 28.69 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + HG13 ILE 71 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 74 + HG13 ILE 71 OK 78 100 80 97 2.6-7.9 9819/3.9=52...(18) QD2 LEU 74 - HG13 ILE 71 poor 20 100 20 - 4.9-7.9 QD1 LEU 64 - HG13 ILE 71 far 0 100 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 5101 from cnoeabs.peaks (1.69, 1.02, 28.69 ppm; 3.69 A): 1 out of 11 assignments used, quality = 1.00: * HG12 ILE 71 + HG13 ILE 71 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 74 - HG13 ILE 71 far 14 92 15 - 4.2-7.4 HB ILE 56 - HG13 ILE 71 far 0 99 0 - 6.4-9.4 HD2 LYS 73 - HG13 ILE 71 far 0 94 0 - 6.5-10.3 HD3 LYS 73 - HG13 ILE 71 far 0 92 0 - 6.6-11.0 HD2 LYS 43 - HG13 ILE 71 far 0 77 0 - 7.3-13.9 HB ILE 54 - HG13 ILE 71 far 0 87 0 - 7.4-11.1 HD3 LYS 43 - HG13 ILE 71 far 0 92 0 - 8.0-12.4 HD2 LYS 44 - HG13 ILE 71 far 0 97 0 - 8.2-15.9 HD2 LYS 39 - HG13 ILE 71 far 0 87 0 - 9.4-17.2 HD3 LYS 44 - HG13 ILE 71 far 0 94 0 - 9.5-16.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QD1 ILE 71 + HG13 ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 4 - HG13 ILE 71 poor 18 87 30 69 3.1-7.2 10736/11685=24...(11) QD1 ILE 56 - HG13 ILE 71 far 0 97 0 - 6.0-7.7 QD1 ILE 54 - HG13 ILE 71 far 0 61 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 5104 from cnoeabs.peaks (8.60, 0.65, 14.72 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 71 + QD1 ILE 71 OK 100 100 100 100 2.3-3.7 1471=100, 1470/2.1=81...(12) H LEU 80 - QD1 ILE 71 far 0 100 0 - 6.8-9.4 Violated in 0 structures by 0.00 A. Peak 5105 from cnoeabs.peaks (3.74, 0.65, 14.72 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 71 + QD1 ILE 71 OK 100 100 100 100 2.1-4.1 4.2=100 HA2 GLY 101 - QD1 ILE 71 far 0 77 0 - 8.0-11.1 HA LYS 61 - QD1 ILE 71 far 0 77 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 5106 from cnoeabs.peaks (1.90, 0.65, 14.72 ppm; 3.50 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 71 + QD1 ILE 71 OK 100 100 100 100 2.4-3.2 3.2=100 QE MET 67 + QD1 ILE 71 OK 51 73 80 86 3.4-5.3 3.3/9781=38, 3.3/9714=30...(10) HG LEU 45 - QD1 ILE 71 far 0 81 0 - 5.2-7.8 HB2 LEU 45 - QD1 ILE 71 far 0 96 0 - 6.0-8.4 HB2 LYS 73 - QD1 ILE 71 far 0 100 0 - 6.0-9.2 HB3 LYS 73 - QD1 ILE 71 far 0 100 0 - 7.1-9.2 HB2 LYS 44 - QD1 ILE 71 far 0 77 0 - 7.7-11.5 HB3 LYS 44 - QD1 ILE 71 far 0 92 0 - 7.9-11.1 HB2 LYS 43 - QD1 ILE 71 far 0 90 0 - 8.0-10.5 HB ILE 7 - QD1 ILE 71 far 0 99 0 - 8.4-10.2 HB3 LYS 43 - QD1 ILE 71 far 0 99 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 5107 from cnoeabs.peaks (0.82, 0.65, 14.72 ppm; 3.06 A): 2 out of 6 assignments used, quality = 0.98: * QG2 ILE 71 + QD1 ILE 71 OK 97 100 100 97 1.8-2.1 3.3=83, 5083/1471=26...(27) QD1 LEU 74 + QD1 ILE 71 OK 28 100 35 79 2.0-7.5 9819/4.2=23, 5100/2.1=15...(20) QD2 LEU 74 - QD1 ILE 71 far 5 100 5 - 4.2-7.4 QD1 LEU 64 - QD1 ILE 71 far 0 100 0 - 5.4-7.6 QD2 LEU 82 - QD1 ILE 71 far 0 96 0 - 8.0-10.6 QG1 VAL 29 - QD1 ILE 71 far 0 70 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 5108 from cnoeabs.peaks (1.69, 0.65, 14.72 ppm; 3.54 A): 2 out of 13 assignments used, quality = 1.00: * HG12 ILE 71 + QD1 ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 56 + QD1 ILE 71 OK 23 99 90 25 3.9-5.9 4466=11, 2.9/4487=8...(4) HG LEU 74 - QD1 ILE 71 far 9 92 10 - 4.3-7.2 HB ILE 54 - QD1 ILE 71 far 0 87 0 - 6.1-7.9 HD3 LYS 73 - QD1 ILE 71 far 0 92 0 - 7.2-10.1 HD2 LYS 73 - QD1 ILE 71 far 0 94 0 - 7.2-10.4 HD3 LYS 43 - QD1 ILE 71 far 0 92 0 - 7.4-10.6 HD2 LYS 43 - QD1 ILE 71 far 0 77 0 - 7.7-11.7 HD2 LYS 44 - QD1 ILE 71 far 0 97 0 - 7.8-12.6 HD2 LYS 39 - QD1 ILE 71 far 0 87 0 - 8.2-13.4 HD3 LYS 39 - QD1 ILE 71 far 0 90 0 - 9.0-13.6 HD3 LYS 44 - QD1 ILE 71 far 0 94 0 - 9.0-12.9 HG3 LYS 39 - QD1 ILE 71 far 0 99 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 5109 from cnoeabs.peaks (1.02, 0.65, 14.72 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 71 + QD1 ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 2 - QD1 ILE 71 far 0 84 0 - 6.8-10.2 HG12 ILE 97 - QD1 ILE 71 far 0 61 0 - 6.9-11.1 QD1 LEU 127 - QD1 ILE 71 far 0 92 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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: * HB2 SER 72 + HA SER 72 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 SER 72 + HA SER 72 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5114 from cnoeabs.peaks (4.12, 4.37, 61.37 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 72 + HA SER 72 OK 100 100 100 100 2.3-2.7 3.0=100 * HB3 SER 72 + HA SER 72 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5115 from cnoeabs.peaks (8.02, 4.12, 62.78 ppm; 3.56 A): 3 out of 6 assignments used, quality = 1.00: H SER 72 + HB3 SER 72 OK 92 100 100 92 2.2-2.9 4.0=70, 1474/1.8=39...(6) * H SER 72 + HB2 SER 72 OK 91 100 100 91 2.2-3.1 4.0=70, 1474/1.8=39...(5) H VAL 22 + HA VAL 22 OK 60 60 100 100 2.8-2.9 3.0=100 H GLY 26 - HA VAL 22 far 0 82 0 - 5.5-7.5 H ARG 118 - HA VAL 22 far 0 82 0 - 6.3-7.7 H LYS 65 - HB2 SER 72 far 0 77 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 5116 from cnoeabs.peaks (4.37, 4.12, 62.78 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 72 + HB2 SER 72 OK 100 100 100 100 2.3-2.7 3.0=100 HA SER 72 + HB3 SER 72 OK 100 100 100 100 3.0-3.0 3.0=100 HA MET 42 - HB3 SER 72 far 0 65 0 - 9.4-11.6 HA MET 42 - HB2 SER 72 far 0 65 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. 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): 3 out of 6 assignments used, quality = 1.00: * H SER 72 + HB3 SER 72 OK 92 100 100 92 2.2-2.9 4.0=70, 1474/1.8=39...(6) H SER 72 + HB2 SER 72 OK 91 100 100 91 2.2-3.1 4.0=70, 1474/1.8=39...(5) H VAL 22 + HA VAL 22 OK 60 60 100 100 2.8-2.9 3.0=100 H GLY 26 - HA VAL 22 far 0 82 0 - 5.5-7.5 H ARG 118 - HA VAL 22 far 0 82 0 - 6.3-7.7 H LYS 65 - HB2 SER 72 far 0 77 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 5120 from cnoeabs.peaks (4.37, 4.12, 62.78 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: HA SER 72 + HB2 SER 72 OK 100 100 100 100 2.3-2.7 3.0=100 * HA SER 72 + HB3 SER 72 OK 100 100 100 100 3.0-3.0 3.0=100 HA MET 42 - HB3 SER 72 far 0 65 0 - 9.4-11.6 HA MET 42 - HB2 SER 72 far 0 65 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 73 + HA LYS 73 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 70 - HA LYS 73 far 0 98 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 LYS 73 + HA LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HB ILE 71 - HA LYS 73 far 0 100 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 5126 from cnoeabs.peaks (1.89, 4.29, 57.48 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LYS 73 + HA LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HB ILE 71 - HA LYS 73 far 0 100 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.2 3.8=100 Violated in 10 structures by 0.08 A. Peak 5128 from cnoeabs.peaks (1.48, 4.29, 57.48 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.5-4.0 3.8=95, 1481/3.0=40...(57) HB2 LEU 74 - HA LYS 73 far 0 87 0 - 5.5-6.6 Violated in 3 structures by 0.02 A. Peak 5129 from cnoeabs.peaks (1.68, 4.29, 57.48 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 73 + HA LYS 73 OK 100 100 100 100 1.9-4.8 3.0/5128=61, 5174=50...(81) HD3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.6-5.1 3.0/5128=61, 5184=50...(81) HG LEU 74 - HA LYS 73 poor 11 61 40 45 4.9-7.4 5234/3.6=24, ~9814=9...(6) HG12 ILE 71 - HA LYS 73 far 0 94 0 - 7.6-9.5 HD3 LYS 43 - HA LYS 73 far 0 100 0 - 8.9-12.2 HD2 LYS 43 - HA LYS 73 far 0 98 0 - 9.7-13.9 Violated in 7 structures by 0.05 A. Peak 5130 from cnoeabs.peaks (1.68, 4.29, 57.48 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.6-5.1 3.0/5128=61, 5184=50...(81) HD2 LYS 73 + HA LYS 73 OK 100 100 100 100 1.9-4.8 3.0/5128=61, 5174=50...(81) HG12 ILE 71 - HA LYS 73 far 0 92 0 - 7.6-9.5 HD3 LYS 43 - HA LYS 73 far 0 100 0 - 8.9-12.2 HD2 LYS 43 - HA LYS 73 far 0 99 0 - 9.7-13.9 Violated in 7 structures by 0.05 A. Peak 5133 from cnoeabs.peaks (7.72, 1.90, 32.15 ppm; 3.65 A): 3 out of 9 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.6-3.6 4.0=78, 1480/2.9=57...(13) H LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.6 4.0=78, 1480/2.9=57...(12) H GLU 47 + HB3 LYS 44 OK 25 64 55 72 4.9-5.7 2074/3.0=42, 2073/4.7=20...(6) H GLU 47 - HB3 LYS 43 lone 7 67 60 18 4.8-5.6 3.6/9454=6, 1306/11238=5...(5) H LEU 70 - HB3 LYS 73 far 0 98 0 - 5.3-7.7 H GLU 47 - HB2 LYS 43 far 0 47 0 - 5.6-6.4 H LEU 70 - HB2 LYS 73 far 0 98 0 - 6.1-7.5 H LEU 70 - HB2 LYS 43 far 0 53 0 - 9.1-10.9 H LEU 70 - HB3 LYS 43 far 0 74 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 5134 from cnoeabs.peaks (4.29, 1.90, 32.15 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HA ASP 12 - HB3 LYS 16 far 0 34 0 - 6.1-7.3 HA GLN 100 - HB2 LYS 96 far 0 52 0 - 6.5-8.3 HA GLN 100 - HB3 LYS 73 far 0 61 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 5135 from cnoeabs.peaks (1.90, 1.90, 32.15 ppm; diagonal): 9 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): 9 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 18 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=98, 1480/4.0=25...(63) HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=98, 1480/4.0=25...(61) HG2 LYS 44 + HB3 LYS 44 OK 51 51 100 100 2.6-3.0 2.9=90, 3904/3.0=21...(47) HD3 LYS 19 - HB3 LYS 16 poor 18 62 30 - 3.9-7.8 HD2 LYS 19 - HB3 LYS 16 poor 12 62 20 - 4.1-7.5 HG2 LYS 44 - HB2 LYS 43 poor 4 37 55 22 3.9-5.5 1286/4.7=15, 4.2/3903=4, 3933=3 HG2 LYS 44 - HB3 LYS 43 far 0 53 0 - 4.8-6.1 HG3 LYS 19 - HB3 LYS 16 far 0 62 0 - 5.1-7.1 HG3 LYS 19 - HB3 LYS 20 far 0 84 0 - 6.4-8.0 HD3 LYS 19 - HB2 LYS 20 far 0 83 0 - 6.6-9.1 HD2 LYS 19 - HB2 LYS 20 far 0 83 0 - 6.7-9.3 HD2 LYS 19 - HB3 LYS 20 far 0 83 0 - 6.8-9.3 HD3 LYS 19 - HB3 LYS 20 far 0 83 0 - 6.8-9.4 HG3 LYS 19 - HB2 LYS 20 far 0 84 0 - 6.9-8.1 HG LEU 82 - HB2 LYS 96 far 0 93 0 - 7.6-9.9 HG2 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.6-11.6 HG LEU 68 - HB2 LYS 96 far 0 84 0 - 8.8-10.0 HG2 LYS 73 - HB2 LYS 43 far 0 57 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 5138 from cnoeabs.peaks (1.48, 1.90, 32.15 ppm; 2.79 A): 4 out of 21 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=93, 5128/3.0=30...(62) HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=93, 5128/3.0=30...(60) HG3 LYS 20 + HB2 LYS 20 OK 83 84 100 100 2.4-3.0 2.9=89, 3037/3.0=35...(65) HG3 LYS 20 + HB3 LYS 20 OK 83 84 100 100 2.2-3.0 2.9=89, 3037/3.0=35...(64) HB2 LEU 74 - HB2 LYS 73 far 0 87 0 - 4.5-6.8 HG3 LYS 20 - HB3 LYS 16 far 0 62 0 - 4.9-9.2 HB2 LEU 74 - HB3 LYS 73 far 0 87 0 - 4.9-7.2 HB3 LEU 45 - HB3 LYS 44 far 0 68 0 - 5.3-7.0 HG2 ARG 30 - HB3 LYS 44 far 0 39 0 - 7.3-9.9 HG3 ARG 118 - HB2 LYS 20 far 0 81 0 - 7.6-15.7 HB3 LEU 45 - HB2 LYS 43 far 0 50 0 - 8.2-8.8 HB3 LEU 45 - HB3 LYS 43 far 0 71 0 - 8.2-8.6 HG3 ARG 118 - HB3 LYS 20 far 0 81 0 - 8.3-14.4 HB3 LEU 38 - HB2 LYS 43 far 0 32 0 - 8.7-9.3 HB2 LEU 74 - HB3 LYS 43 far 0 62 0 - 9.0-11.1 HB3 LEU 38 - HB3 LYS 44 far 0 45 0 - 9.1-11.5 HG3 LYS 73 - HB3 LYS 43 far 0 78 0 - 9.3-12.6 HB2 LEU 74 - HB2 LYS 43 far 0 43 0 - 9.4-11.4 HB3 LEU 45 - HB2 LYS 73 far 0 96 0 - 9.5-13.8 HG3 LYS 73 - HB2 LYS 43 far 0 57 0 - 9.7-12.6 HG2 LYS 106 - HB2 LYS 96 far 0 56 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 5139 from cnoeabs.peaks (1.68, 1.90, 32.15 ppm; 2.60 A): 18 out of 62 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) HD3 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) * HD2 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.1-3.6 3.8=31, 5177/2.9=23...(79) HD2 LYS 73 + HB3 LYS 73 OK 93 100 95 98 2.1-4.2 3.8=31, 5177/2.9=23...(79) HD2 LYS 96 + HB2 LYS 96 OK 91 91 100 99 3.5-3.8 3.4=43, 6098/1.8=30...(76) HD3 LYS 96 + HB2 LYS 96 OK 87 93 95 99 3.5-4.1 3.4=43, 6098/1.8=30...(74) HD3 LYS 20 + HB3 LYS 20 OK 82 84 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 82 83 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD2 LYS 20 + HB2 LYS 20 OK 78 83 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 43 + HB3 LYS 43 OK 75 78 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD2 LYS 43 + HB3 LYS 43 OK 71 74 100 96 2.0-3.3 3.8=31, 3847/3.0=20...(75) HD2 LYS 16 + HB3 LYS 16 OK 61 62 100 97 2.0-3.6 3.6=37, 2756/3.0=20...(47) HD3 LYS 20 + HB2 LYS 20 OK 58 84 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 16 + HB3 LYS 16 OK 56 61 95 97 3.2-4.2 3.6=37, 2756/3.0=20...(47) HD2 LYS 43 + HB2 LYS 43 OK 51 53 100 97 3.1-3.8 3.8=31, 3847/3.0=20...(81) HD3 LYS 44 + HB3 LYS 44 OK 39 42 95 98 2.3-4.2 3.7=36, 3954/2.9=14...(80) HD3 LYS 43 + HB2 LYS 43 OK 38 56 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD2 LYS 44 + HB3 LYS 44 OK 38 48 80 98 2.3-4.2 3.7=36, 1.8/3953=14...(77) HG LEU 74 - HB2 LYS 73 poor 18 61 30 - 3.3-7.2 HD2 LYS 40 - HB3 LYS 43 poor 15 77 20 - 3.7-7.2 HD2 LYS 40 - HB3 LYS 44 far 7 74 10 - 3.8-8.5 HD3 LYS 40 - HB2 LYS 43 lone 6 55 75 14 2.8-6.1 3654/8066=8, 1256/6081=3...(4) HD2 LYS 40 - HB2 LYS 43 lone 5 56 65 13 2.9-6.0 3654/8066=8, 1256/6081=3 HD3 LYS 20 - HB3 LYS 16 far 3 62 5 - 4.1-7.8 HD3 LYS 40 - HB3 LYS 43 lone 3 76 30 12 3.8-7.6 3654/8066=8, 1279/4.0=3 HG LEU 74 - HB3 LYS 73 far 0 61 0 - 4.1-7.3 HD3 LYS 40 - HB3 LYS 44 far 0 73 0 - 4.3-7.8 HG3 ARG 95 - HB2 LYS 96 far 0 84 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 61 0 - 4.8-8.3 HG3 LYS 39 - HB2 LYS 43 far 0 39 0 - 5.0-7.3 HD3 LYS 44 - HB2 LYS 43 far 0 30 0 - 5.1-7.5 HD2 LYS 20 - HB3 LYS 16 far 0 62 0 - 5.1-9.1 HD2 LYS 44 - HB2 LYS 43 far 0 35 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 56 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 44 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 50 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 94 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 98 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 98 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 94 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 41 0 - 7.2-9.4 HD2 LYS 17 - HB3 LYS 20 far 0 82 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 74 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 71 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 82 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 54 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 84 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 84 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 75 0 - 7.7-9.9 HG LEU 74 - HB2 LYS 43 far 0 28 0 - 7.7-9.7 HD3 LYS 16 - HB3 LYS 20 far 0 82 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 82 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 73 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 39 0 - 8.7-12.3 HD3 LYS 73 - HB2 LYS 43 far 0 56 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 49 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 66 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 57 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 5140 from cnoeabs.peaks (1.68, 1.90, 32.15 ppm; 2.60 A): 18 out of 57 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) * HD3 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) HD2 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.1-3.6 3.8=31, 5177/2.9=23...(79) HD2 LYS 73 + HB3 LYS 73 OK 93 100 95 98 2.1-4.2 3.8=31, 5177/2.9=23...(79) HD2 LYS 96 + HB2 LYS 96 OK 91 92 100 99 3.5-3.8 3.4=43, 6098/1.8=30...(76) HD3 LYS 96 + HB2 LYS 96 OK 88 93 95 99 3.5-4.1 3.4=43, 6098/1.8=30...(74) HD3 LYS 20 + HB3 LYS 20 OK 82 83 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 81 82 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD2 LYS 20 + HB2 LYS 20 OK 77 82 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 43 + HB3 LYS 43 OK 75 78 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD2 LYS 43 + HB3 LYS 43 OK 73 75 100 96 2.0-3.3 3.8=31, 3847/3.0=20...(75) HD2 LYS 16 + HB3 LYS 16 OK 61 62 100 97 2.0-3.6 3.6=37, 2756/3.0=20...(47) HD3 LYS 20 + HB2 LYS 20 OK 57 83 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 16 + HB3 LYS 16 OK 55 60 95 97 3.2-4.2 3.6=37, 2756/3.0=20...(47) HD2 LYS 43 + HB2 LYS 43 OK 52 54 100 97 3.1-3.8 3.8=31, 3847/3.0=20...(81) HD3 LYS 43 + HB2 LYS 43 OK 38 57 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD3 LYS 44 + HB3 LYS 44 OK 36 39 95 98 2.3-4.2 3.7=36, 3954/2.9=13...(79) HD2 LYS 44 + HB3 LYS 44 OK 35 45 80 98 2.3-4.2 3.7=36, 1.8/3953=14...(77) HD2 LYS 40 - HB3 LYS 43 poor 16 78 20 - 3.7-7.2 HD2 LYS 40 - HB3 LYS 44 far 7 75 10 - 3.8-8.5 HD3 LYS 40 - HB2 LYS 43 lone 6 56 75 14 2.8-6.1 3654/8066=8, 1256/6081=3...(4) HD2 LYS 40 - HB2 LYS 43 lone 5 56 65 13 2.9-6.0 3654/8066=8, 1256/6081=3 HD3 LYS 20 - HB3 LYS 16 far 3 62 5 - 4.1-7.8 HD3 LYS 40 - HB3 LYS 43 lone 3 77 30 12 3.8-7.6 3654/8066=8, 1279/4.0=3 HD3 LYS 40 - HB3 LYS 44 far 0 74 0 - 4.3-7.8 HG3 ARG 95 - HB2 LYS 96 far 0 86 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 62 0 - 4.8-8.3 HG3 LYS 39 - HB2 LYS 43 far 0 37 0 - 5.0-7.3 HD3 LYS 44 - HB2 LYS 43 far 0 28 0 - 5.1-7.5 HD2 LYS 20 - HB3 LYS 16 far 0 61 0 - 5.1-9.1 HD2 LYS 44 - HB2 LYS 43 far 0 32 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 53 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 41 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 47 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 92 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 99 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 99 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 92 0 - 7.1-9.0 HD2 LYS 17 - HB3 LYS 20 far 0 83 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 75 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 72 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 83 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 51 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 84 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 84 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 75 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 81 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 81 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 72 0 - 8.7-12.8 HD3 LYS 73 - HB2 LYS 43 far 0 57 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 47 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 64 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 56 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 5141 from cnoeabs.peaks (2.98, 1.90, 32.15 ppm; 4.22 A): 12 out of 43 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.6-5.5 4.9=64, 5198/2.9=44...(80) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.8-5.1 4.9=64, 5198/2.9=44...(78) HE3 LYS 73 + HB2 LYS 73 OK 99 99 100 100 3.5-5.0 4.9=64, 5198/2.9=43...(77) HE3 LYS 73 + HB3 LYS 73 OK 99 99 100 100 3.8-5.1 4.9=64, 5198/2.9=43...(75) HE2 LYS 43 + HB3 LYS 43 OK 78 78 100 100 1.9-4.6 4.7=74, 3884/3.0=42...(80) HE3 LYS 43 + HB3 LYS 43 OK 72 73 100 100 2.5-4.5 4.7=74, 3884/3.0=41...(77) HE2 LYS 43 + HB2 LYS 43 OK 56 56 100 100 3.4-5.4 4.7=74, 3884/3.0=42...(84) HE3 LYS 43 + HB2 LYS 43 OK 52 52 100 100 3.0-5.2 4.7=74, 3884/3.0=41...(81) HE3 LYS 20 + HB3 LYS 20 OK 48 48 100 100 2.1-5.1 4.8=67, ~3071=24...(101) HE2 LYS 20 + HB3 LYS 20 OK 48 48 100 100 2.2-5.1 4.8=67, ~3071=24...(101) HE2 LYS 20 + HB2 LYS 20 OK 48 48 100 100 2.4-5.5 4.8=67, ~3071=24...(101) HE3 LYS 20 + HB2 LYS 20 OK 48 48 100 100 3.2-5.1 4.8=67, ~3071=24...(101) HE3 LYS 39 - HB3 LYS 43 poor 20 78 25 - 3.6-10.4 HE3 LYS 39 - HB2 LYS 43 poor 17 56 30 - 3.5-9.3 HE3 LYS 40 - HB2 LYS 43 poor 16 35 45 - 5.2-7.5 HB2 ASN 24 - HB3 LYS 20 far 9 58 15 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 9 58 15 - 5.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 8 56 15 - 5.3-8.5 HE2 LYS 39 - HB2 LYS 43 far 8 56 15 - 3.6-9.3 HE2 LYS 39 - HB3 LYS 43 far 8 77 10 - 4.2-10.6 HE3 LYS 20 - HB3 LYS 16 poor 7 34 20 - 3.5-10.4 HE2 LYS 20 - HB3 LYS 16 poor 7 34 20 - 4.2-10.6 HE2 LYS 40 - HB2 LYS 43 poor 6 39 55 26 4.5-7.3 6.4/8066=14, 7.5/6081=6...(4) HE2 LYS 40 - HB3 LYS 44 far 3 54 5 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 43 far 3 50 5 - 5.4-8.7 HE3 LYS 40 - HB3 LYS 44 far 0 48 0 - 5.8-9.9 HB3 ASN 24 - HB3 LYS 20 far 0 58 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 58 0 - 6.2-10.6 HE3 LYS 39 - HB3 LYS 44 far 0 75 0 - 6.4-14.0 HE3 LYS 73 - HB3 LYS 43 far 0 75 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 78 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 75 0 - 7.4-11.0 HD3 ARG 118 - HB2 LYS 20 far 0 70 0 - 7.5-15.9 HE3 LYS 43 - HB3 LYS 73 far 0 97 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 54 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 57 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 97 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 74 0 - 8.1-13.8 HE3 LYS 43 - HB3 LYS 44 far 0 69 0 - 8.6-10.7 HD3 ARG 118 - HB3 LYS 20 far 0 70 0 - 8.7-14.5 HE3 LYS 73 - HB3 LYS 44 far 0 72 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5142 from cnoeabs.peaks (2.98, 1.90, 32.15 ppm; 3.87 A): 12 out of 43 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 3.5-5.0 4.9=50, 5207/2.9=39...(77) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.8-5.1 4.9=50, 5207/2.9=39...(75) HE2 LYS 73 + HB3 LYS 73 OK 99 99 100 100 3.8-5.1 4.9=50, 5198/2.9=39...(78) HE2 LYS 73 + HB2 LYS 73 OK 89 99 90 100 2.6-5.5 4.9=50, 5198/2.9=39...(80) HE3 LYS 43 + HB3 LYS 43 OK 78 78 100 100 2.5-4.5 4.7=57, 3884/3.0=36...(77) HE2 LYS 43 + HB3 LYS 43 OK 77 77 100 100 1.9-4.6 4.7=57, 3884/3.0=38...(80) HE3 LYS 20 + HB3 LYS 20 OK 64 64 100 100 2.1-5.1 4.8=51, 3070/2.9=23...(101) HE2 LYS 20 + HB3 LYS 20 OK 64 64 100 100 2.2-5.1 4.8=51, 3070/2.9=23...(101) HE3 LYS 20 + HB2 LYS 20 OK 64 64 100 100 3.2-5.1 4.8=51, 3070/2.9=23...(101) HE2 LYS 20 + HB2 LYS 20 OK 61 64 95 100 2.4-5.5 4.8=51, 3070/2.9=23...(101) HE3 LYS 43 + HB2 LYS 43 OK 56 56 100 100 3.0-5.2 4.7=57, 3884/3.0=36...(81) HE2 LYS 43 + HB2 LYS 43 OK 50 56 90 100 3.4-5.4 4.7=57, 3884/3.0=38...(84) HE3 LYS 39 - HB2 LYS 43 poor 16 55 30 - 3.5-9.3 HE3 LYS 39 - HB3 LYS 43 far 11 76 15 - 3.6-10.4 HE3 LYS 20 - HB3 LYS 16 poor 9 46 20 - 3.5-10.4 HE2 LYS 20 - HB3 LYS 16 poor 9 46 20 - 4.2-10.6 HE2 LYS 39 - HB2 LYS 43 far 8 56 15 - 3.6-9.3 HE2 LYS 39 - HB3 LYS 43 far 8 78 10 - 4.2-10.6 HE2 LYS 40 - HB3 LYS 43 far 7 69 10 - 5.3-8.5 HE3 LYS 40 - HB2 LYS 43 far 7 45 15 - 5.2-7.5 HE2 LYS 40 - HB2 LYS 43 poor 6 49 55 21 4.5-7.3 6.4/8066=11, 7.5/6081=5 HB2 ASN 24 - HB3 LYS 20 far 4 72 5 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 4 72 5 - 5.3-9.9 HE3 LYS 40 - HB3 LYS 43 far 0 64 0 - 5.4-8.7 HE2 LYS 40 - HB3 LYS 44 far 0 66 0 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 44 far 0 61 0 - 5.8-9.9 HB3 ASN 24 - HB3 LYS 20 far 0 72 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 72 0 - 6.2-10.6 HE3 LYS 39 - HB3 LYS 44 far 0 73 0 - 6.4-14.0 HE3 LYS 73 - HB3 LYS 43 far 0 78 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 75 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 74 0 - 7.4-11.0 HD3 ARG 118 - HB2 LYS 20 far 0 80 0 - 7.5-15.9 HE3 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 57 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 54 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 100 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 75 0 - 8.1-13.8 HE3 LYS 43 - HB3 LYS 44 far 0 75 0 - 8.6-10.7 HD3 ARG 118 - HB3 LYS 20 far 0 80 0 - 8.7-14.5 HE3 LYS 73 - HB3 LYS 44 far 0 75 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5143 from cnoeabs.peaks (7.72, 1.89, 32.15 ppm; 3.65 A): 3 out of 9 assignments used, quality = 1.00: * H LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.6 4.0=78, 1480/2.9=57...(12) H LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.6-3.6 4.0=78, 1480/2.9=57...(13) H GLU 47 + HB3 LYS 44 OK 23 59 55 72 4.9-5.7 2074/3.0=42, 2073/4.7=20...(6) H GLU 47 - HB3 LYS 43 lone 7 64 60 18 4.8-5.6 3.6/9454=6, 1306/11238=5...(5) H LEU 70 - HB3 LYS 73 far 0 98 0 - 5.3-7.7 H GLU 47 - HB2 LYS 43 far 0 43 0 - 5.6-6.4 H LEU 70 - HB2 LYS 73 far 0 98 0 - 6.1-7.5 H LEU 70 - HB2 LYS 43 far 0 49 0 - 9.1-10.9 H LEU 70 - HB3 LYS 43 far 0 71 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 5144 from cnoeabs.peaks (4.29, 1.89, 32.15 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 12 - HB2 LYS 16 far 0 34 0 - 6.0-7.3 HA ASP 12 - HB3 LYS 16 far 0 37 0 - 6.1-7.3 HA GLN 100 - HB2 LYS 96 far 0 50 0 - 6.5-8.3 HA GLN 100 - HB3 LYS 73 far 0 61 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 5145 from cnoeabs.peaks (1.90, 1.89, 32.15 ppm; diagonal): 10 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): 10 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): 3 out of 21 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=98, 1480/4.0=25...(61) HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=98, 1480/4.0=25...(63) HG2 LYS 44 + HB3 LYS 44 OK 47 47 100 100 2.6-3.0 2.9=90, 3904/3.0=21...(47) HG2 LYS 44 - HB2 LYS 43 poor 19 34 55 - 3.9-5.5 HD2 LYS 19 - HB3 LYS 16 poor 13 67 20 - 4.1-7.5 HD2 LYS 19 - HB2 LYS 16 far 9 62 15 - 4.1-6.6 HD3 LYS 19 - HB2 LYS 16 far 6 62 10 - 3.8-8.0 HD3 LYS 19 - HB3 LYS 16 poor 5 67 30 25 3.9-7.8 11217/3.0=11, ~11220=8...(4) HG3 LYS 19 - HB2 LYS 16 far 0 62 0 - 4.7-7.1 HG2 LYS 44 - HB3 LYS 43 far 0 51 0 - 4.8-6.1 HG3 LYS 19 - HB3 LYS 16 far 0 68 0 - 5.1-7.1 HG3 LYS 19 - HB3 LYS 20 far 0 86 0 - 6.4-8.0 HD3 LYS 19 - HB2 LYS 20 far 0 85 0 - 6.6-9.1 HD2 LYS 19 - HB2 LYS 20 far 0 85 0 - 6.7-9.3 HD2 LYS 19 - HB3 LYS 20 far 0 85 0 - 6.8-9.3 HD3 LYS 19 - HB3 LYS 20 far 0 85 0 - 6.8-9.4 HG3 LYS 19 - HB2 LYS 20 far 0 86 0 - 6.9-8.1 HG LEU 82 - HB2 LYS 96 far 0 90 0 - 7.6-9.9 HG2 LYS 73 - HB3 LYS 43 far 0 76 0 - 8.6-11.6 HG LEU 68 - HB2 LYS 96 far 0 81 0 - 8.8-10.0 HG2 LYS 73 - HB2 LYS 43 far 0 52 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 5148 from cnoeabs.peaks (1.48, 1.89, 32.15 ppm; 2.79 A): 4 out of 22 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=93, 5128/3.0=30...(60) HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=93, 5128/3.0=30...(62) HG3 LYS 20 + HB2 LYS 20 OK 85 86 100 100 2.4-3.0 2.9=89, 3037/3.0=35...(65) HG3 LYS 20 + HB3 LYS 20 OK 85 86 100 100 2.2-3.0 2.9=89, 3037/3.0=35...(64) HB2 LEU 74 - HB2 LYS 73 far 0 87 0 - 4.5-6.8 HG3 LYS 20 - HB2 LYS 16 far 0 62 0 - 4.6-9.3 HG3 LYS 20 - HB3 LYS 16 far 0 68 0 - 4.9-9.2 HB2 LEU 74 - HB3 LYS 73 far 0 87 0 - 4.9-7.2 HB3 LEU 45 - HB3 LYS 44 far 0 63 0 - 5.3-7.0 HG2 ARG 30 - HB3 LYS 44 far 0 36 0 - 7.3-9.9 HG3 ARG 118 - HB2 LYS 20 far 0 83 0 - 7.6-15.7 HB3 LEU 45 - HB2 LYS 43 far 0 46 0 - 8.2-8.8 HB3 LEU 45 - HB3 LYS 43 far 0 68 0 - 8.2-8.6 HG3 ARG 118 - HB3 LYS 20 far 0 83 0 - 8.3-14.4 HB3 LEU 38 - HB2 LYS 43 far 0 30 0 - 8.7-9.3 HB2 LEU 74 - HB3 LYS 43 far 0 59 0 - 9.0-11.1 HB3 LEU 38 - HB3 LYS 44 far 0 41 0 - 9.1-11.5 HG3 LYS 73 - HB3 LYS 43 far 0 76 0 - 9.3-12.6 HB2 LEU 74 - HB2 LYS 43 far 0 40 0 - 9.4-11.4 HB3 LEU 45 - HB2 LYS 73 far 0 95 0 - 9.5-13.8 HG3 LYS 73 - HB2 LYS 43 far 0 52 0 - 9.7-12.6 HG2 LYS 106 - HB2 LYS 96 far 0 53 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 5149 from cnoeabs.peaks (1.68, 1.89, 32.15 ppm; 2.60 A): 20 out of 67 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) HD3 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) HD2 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.1-3.6 3.8=31, 5177/2.9=23...(79) * HD2 LYS 73 + HB3 LYS 73 OK 93 100 95 98 2.1-4.2 3.8=31, 5177/2.9=23...(79) HD2 LYS 96 + HB2 LYS 96 OK 88 89 100 99 3.5-3.8 3.4=43, 6098/1.8=30...(76) HD3 LYS 96 + HB2 LYS 96 OK 85 90 95 99 3.5-4.1 3.4=43, 6098/1.8=30...(74) HD3 LYS 20 + HB3 LYS 20 OK 84 86 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 84 85 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD2 LYS 20 + HB2 LYS 20 OK 80 85 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 43 + HB3 LYS 43 OK 73 75 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD2 LYS 43 + HB3 LYS 43 OK 69 71 100 96 2.0-3.3 3.8=31, 3847/3.0=20...(75) HD2 LYS 16 + HB3 LYS 16 OK 66 68 100 97 2.0-3.6 3.6=37, 2756/3.0=20...(47) HD3 LYS 16 + HB3 LYS 16 OK 61 66 95 97 3.2-4.2 3.6=37, 2756/3.0=20...(47) HD2 LYS 16 + HB2 LYS 16 OK 61 62 100 97 2.3-3.6 3.6=37, 2756/3.0=20...(47) HD3 LYS 20 + HB2 LYS 20 OK 59 86 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 16 + HB2 LYS 16 OK 53 61 90 97 2.2-4.2 3.6=37, 2756/3.0=20...(47) HD2 LYS 43 + HB2 LYS 43 OK 47 49 100 97 3.1-3.8 3.8=31, 3847/3.0=20...(81) HD3 LYS 44 + HB3 LYS 44 OK 36 39 95 98 2.3-4.2 3.7=36, 3954/2.9=14...(79) HD3 LYS 43 + HB2 LYS 43 OK 35 52 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD2 LYS 44 + HB3 LYS 44 OK 35 44 80 98 2.3-4.2 3.7=36, 3954/2.9=14...(77) HG LEU 74 - HB2 LYS 73 poor 18 61 30 - 3.3-7.2 HD2 LYS 40 - HB3 LYS 43 poor 15 75 20 - 3.7-7.2 HD2 LYS 40 - HB3 LYS 44 far 7 69 10 - 3.8-8.5 HD3 LYS 40 - HB2 LYS 43 lone 5 51 75 14 2.8-6.1 3654/8066=8, 1279/4.0=3...(4) HD2 LYS 40 - HB2 LYS 43 lone 4 51 65 13 2.9-6.0 3654/8066=8, 1256/6081=3 HD3 LYS 20 - HB3 LYS 16 far 3 68 5 - 4.1-7.8 HD3 LYS 40 - HB3 LYS 43 lone 3 74 30 12 3.8-7.6 3654/8066=8, 1279/4.0=3 HG LEU 74 - HB3 LYS 73 far 0 61 0 - 4.1-7.3 HD3 LYS 20 - HB2 LYS 16 far 0 62 0 - 4.2-7.9 HD3 LYS 40 - HB3 LYS 44 far 0 68 0 - 4.3-7.8 HG3 ARG 95 - HB2 LYS 96 far 0 81 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 66 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 61 0 - 4.9-8.4 HG3 LYS 39 - HB2 LYS 43 far 0 36 0 - 5.0-7.3 HD3 LYS 44 - HB2 LYS 43 far 0 28 0 - 5.1-7.5 HD2 LYS 20 - HB3 LYS 16 far 0 67 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 62 0 - 5.2-9.2 HD2 LYS 44 - HB2 LYS 43 far 0 32 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 54 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 42 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 48 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 94 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 98 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 98 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 94 0 - 7.1-9.0 HG LEU 74 - HB3 LYS 43 far 0 39 0 - 7.2-9.4 HD2 LYS 17 - HB3 LYS 20 far 0 84 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 69 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 66 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 84 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 50 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 86 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 86 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 70 0 - 7.7-9.9 HG LEU 74 - HB2 LYS 43 far 0 26 0 - 7.7-9.7 HD3 LYS 16 - HB3 LYS 20 far 0 84 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 75 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 84 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 68 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 36 0 - 8.7-12.3 HD3 LYS 73 - HB2 LYS 43 far 0 52 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 76 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 45 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 61 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 52 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 5150 from cnoeabs.peaks (1.68, 1.89, 32.15 ppm; 2.60 A): 20 out of 62 assignments used, quality = 1.00: * HD3 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) HD3 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) HD2 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.1-3.6 3.8=31, 5177/2.9=23...(79) HD2 LYS 73 + HB3 LYS 73 OK 93 100 95 98 2.1-4.2 3.8=31, 5177/2.9=23...(79) HD2 LYS 96 + HB2 LYS 96 OK 89 89 100 99 3.5-3.8 3.4=43, 6098/1.8=30...(76) HD3 LYS 96 + HB2 LYS 96 OK 85 90 95 99 3.5-4.1 3.4=43, 6098/1.8=30...(74) HD3 LYS 20 + HB3 LYS 20 OK 84 85 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 83 84 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD2 LYS 20 + HB2 LYS 20 OK 79 84 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 43 + HB3 LYS 43 OK 73 76 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD2 LYS 43 + HB3 LYS 43 OK 70 73 100 96 2.0-3.3 3.8=31, 3847/3.0=20...(75) HD2 LYS 16 + HB3 LYS 16 OK 66 68 100 97 2.0-3.6 3.6=37, 2756/3.0=20...(47) HD2 LYS 16 + HB2 LYS 16 OK 61 62 100 97 2.3-3.6 3.6=37, 2756/3.0=20...(47) HD3 LYS 16 + HB3 LYS 16 OK 60 65 95 97 3.2-4.2 3.6=37, 2756/3.0=20...(47) HD3 LYS 20 + HB2 LYS 20 OK 59 85 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 16 + HB2 LYS 16 OK 53 60 90 97 2.2-4.2 3.6=37, 2756/3.0=20...(47) HD2 LYS 43 + HB2 LYS 43 OK 48 50 100 97 3.1-3.8 3.8=31, 3847/3.0=20...(81) HD3 LYS 43 + HB2 LYS 43 OK 35 52 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD3 LYS 44 + HB3 LYS 44 OK 34 36 95 98 2.3-4.2 3.7=36, 3954/2.9=13...(79) HD2 LYS 44 + HB3 LYS 44 OK 33 41 80 98 2.3-4.2 3.7=36, 1.8/3953=14...(77) HD2 LYS 40 - HB3 LYS 43 poor 15 75 20 - 3.7-7.2 HD2 LYS 40 - HB3 LYS 44 far 7 70 10 - 3.8-8.5 HD3 LYS 40 - HB2 LYS 43 lone 5 51 75 14 2.8-6.1 3654/8066=8, 1279/4.0=3...(4) HD2 LYS 40 - HB2 LYS 43 lone 4 52 65 13 2.9-6.0 3654/8066=8, 1256/6081=3 HD3 LYS 20 - HB3 LYS 16 far 3 67 5 - 4.1-7.8 HD3 LYS 40 - HB3 LYS 43 lone 3 75 30 12 3.8-7.6 3654/8066=8, 1279/4.0=3 HD3 LYS 20 - HB2 LYS 16 far 0 62 0 - 4.2-7.9 HD3 LYS 40 - HB3 LYS 44 far 0 69 0 - 4.3-7.8 HG3 ARG 95 - HB2 LYS 96 far 0 83 0 - 4.8-8.2 HD2 LYS 17 - HB3 LYS 16 far 0 67 0 - 4.8-8.3 HD2 LYS 17 - HB2 LYS 16 far 0 62 0 - 4.9-8.4 HG3 LYS 39 - HB2 LYS 43 far 0 34 0 - 5.0-7.3 HD3 LYS 44 - HB2 LYS 43 far 0 26 0 - 5.1-7.5 HD2 LYS 20 - HB3 LYS 16 far 0 66 0 - 5.1-9.1 HD2 LYS 20 - HB2 LYS 16 far 0 61 0 - 5.2-9.2 HD2 LYS 44 - HB2 LYS 43 far 0 30 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 51 0 - 6.4-8.7 HD3 LYS 44 - HB3 LYS 43 far 0 39 0 - 6.4-8.0 HD2 LYS 44 - HB3 LYS 43 far 0 45 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 92 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 99 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 99 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 92 0 - 7.1-9.0 HD2 LYS 17 - HB3 LYS 20 far 0 85 0 - 7.3-9.6 HD3 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 70 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 67 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 85 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 47 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 86 0 - 7.6-10.2 HD2 LYS 16 - HB2 LYS 20 far 0 86 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 70 0 - 7.7-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 83 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 76 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 83 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 67 0 - 8.7-12.8 HD3 LYS 73 - HB2 LYS 43 far 0 52 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 75 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 43 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 59 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 52 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 5151 from cnoeabs.peaks (2.98, 1.89, 32.15 ppm; 4.22 A): 12 out of 45 assignments used, quality = 1.00: * HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.8-5.1 4.9=64, 5198/2.9=44...(78) HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.6-5.5 4.9=64, 5198/2.9=44...(80) HE3 LYS 73 + HB3 LYS 73 OK 99 99 100 100 3.8-5.1 4.9=64, 5198/2.9=43...(75) HE3 LYS 73 + HB2 LYS 73 OK 99 99 100 100 3.5-5.0 4.9=64, 5198/2.9=43...(77) HE2 LYS 43 + HB3 LYS 43 OK 75 75 100 100 1.9-4.6 4.7=74, 3884/3.0=42...(80) HE3 LYS 43 + HB3 LYS 43 OK 70 70 100 100 2.5-4.5 4.7=74, 3884/3.0=41...(77) HE2 LYS 43 + HB2 LYS 43 OK 52 52 100 100 3.4-5.4 4.7=74, 3884/3.0=42...(84) HE3 LYS 20 + HB3 LYS 20 OK 50 50 100 100 2.1-5.1 4.8=67, ~3071=24...(101) HE2 LYS 20 + HB3 LYS 20 OK 50 50 100 100 2.2-5.1 4.8=67, ~3071=24...(101) HE2 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.4-5.5 4.8=67, ~3071=24...(101) HE3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 3.2-5.1 4.8=67, ~3071=24...(101) HE3 LYS 43 + HB2 LYS 43 OK 48 48 100 100 3.0-5.2 4.7=74, 3884/3.0=41...(81) HE2 LYS 40 - HB2 LYS 43 poor 20 36 55 - 4.5-7.3 HE3 LYS 39 - HB3 LYS 43 poor 19 75 25 - 3.6-10.4 HE3 LYS 39 - HB2 LYS 43 poor 16 52 30 - 3.5-9.3 HE3 LYS 40 - HB2 LYS 43 poor 14 32 45 - 5.2-7.5 HB2 ASN 24 - HB3 LYS 20 far 9 60 15 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 9 60 15 - 5.3-9.9 HE3 LYS 20 - HB2 LYS 16 poor 8 34 25 - 3.1-10.7 HE2 LYS 40 - HB3 LYS 43 far 8 54 15 - 5.3-8.5 HE2 LYS 39 - HB2 LYS 43 far 8 51 15 - 3.6-9.3 HE2 LYS 39 - HB3 LYS 43 far 7 75 10 - 4.2-10.6 HE3 LYS 20 - HB3 LYS 16 poor 7 37 20 - 3.5-10.4 HE2 LYS 20 - HB3 LYS 16 poor 7 37 20 - 4.2-10.6 HE2 LYS 20 - HB2 LYS 16 poor 7 34 20 - 3.3-10.6 HE2 LYS 40 - HB3 LYS 44 far 2 50 5 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 43 far 2 48 5 - 5.4-8.7 HE3 LYS 40 - HB3 LYS 44 far 0 44 0 - 5.8-9.9 HB3 ASN 24 - HB3 LYS 20 far 0 60 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 60 0 - 6.2-10.6 HE3 LYS 39 - HB3 LYS 44 far 0 70 0 - 6.4-14.0 HE3 LYS 73 - HB3 LYS 43 far 0 73 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 76 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 70 0 - 7.4-11.0 HD3 ARG 118 - HB2 LYS 20 far 0 72 0 - 7.5-15.9 HE3 LYS 43 - HB3 LYS 73 far 0 97 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 50 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 52 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 97 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 69 0 - 8.1-13.8 HE3 LYS 43 - HB3 LYS 44 far 0 65 0 - 8.6-10.7 HD3 ARG 118 - HB3 LYS 20 far 0 72 0 - 8.7-14.5 HE3 LYS 73 - HB3 LYS 44 far 0 67 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5152 from cnoeabs.peaks (2.98, 1.89, 32.15 ppm; 3.87 A): 12 out of 45 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.8-5.1 4.9=50, 5207/2.9=39...(75) HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 3.5-5.0 4.9=50, 5207/2.9=39...(77) HE2 LYS 73 + HB3 LYS 73 OK 99 99 100 100 3.8-5.1 4.9=50, 5198/2.9=39...(78) HE2 LYS 73 + HB2 LYS 73 OK 89 99 90 100 2.6-5.5 4.9=50, 5198/2.9=39...(80) HE3 LYS 43 + HB3 LYS 43 OK 75 75 100 100 2.5-4.5 4.7=57, 3884/3.0=36...(77) HE2 LYS 43 + HB3 LYS 43 OK 74 75 100 100 1.9-4.6 4.7=57, 3884/3.0=38...(80) HE3 LYS 20 + HB3 LYS 20 OK 66 66 100 100 2.1-5.1 4.8=51, 3070/2.9=23...(101) HE2 LYS 20 + HB3 LYS 20 OK 66 66 100 100 2.2-5.1 4.8=51, 3070/2.9=23...(101) HE3 LYS 20 + HB2 LYS 20 OK 66 66 100 100 3.2-5.1 4.8=51, 3070/2.9=23...(101) HE2 LYS 20 + HB2 LYS 20 OK 63 66 95 100 2.4-5.5 4.8=51, 3070/2.9=23...(101) HE3 LYS 43 + HB2 LYS 43 OK 52 52 100 100 3.0-5.2 4.7=57, 3884/3.0=36...(81) HE2 LYS 43 + HB2 LYS 43 OK 46 51 90 100 3.4-5.4 4.7=57, 3884/3.0=38...(84) HE3 LYS 39 - HB2 LYS 43 poor 15 51 30 - 3.5-9.3 HE3 LYS 20 - HB2 LYS 16 poor 11 46 25 - 3.1-10.7 HE3 LYS 39 - HB3 LYS 43 far 11 74 15 - 3.6-10.4 HE3 LYS 20 - HB3 LYS 16 poor 10 50 20 - 3.5-10.4 HE2 LYS 20 - HB3 LYS 16 poor 10 50 20 - 4.2-10.6 HE2 LYS 20 - HB2 LYS 16 poor 9 46 20 - 3.3-10.6 HE2 LYS 39 - HB2 LYS 43 far 8 52 15 - 3.6-9.3 HE2 LYS 39 - HB3 LYS 43 far 8 75 10 - 4.2-10.6 HE2 LYS 40 - HB3 LYS 43 far 7 66 10 - 5.3-8.5 HE3 LYS 40 - HB2 LYS 43 far 6 41 15 - 5.2-7.5 HE2 LYS 40 - HB2 LYS 43 poor 5 45 55 21 4.5-7.3 6.4/8066=10, 7.5/6081=4 HB2 ASN 24 - HB3 LYS 20 far 4 74 5 - 4.8-9.4 HB2 ASN 24 - HB2 LYS 20 far 4 74 5 - 5.3-9.9 HE3 LYS 40 - HB3 LYS 43 far 0 62 0 - 5.4-8.7 HE2 LYS 40 - HB3 LYS 44 far 0 61 0 - 5.6-9.2 HE3 LYS 40 - HB3 LYS 44 far 0 57 0 - 5.8-9.9 HB3 ASN 24 - HB3 LYS 20 far 0 74 0 - 6.0-10.6 HB3 ASN 24 - HB2 LYS 20 far 0 74 0 - 6.2-10.6 HE3 LYS 39 - HB3 LYS 44 far 0 68 0 - 6.4-14.0 HE3 LYS 73 - HB3 LYS 43 far 0 76 0 - 6.9-12.6 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 6.9-13.1 HE2 LYS 73 - HB3 LYS 43 far 0 73 0 - 6.9-13.8 HE2 LYS 43 - HB3 LYS 44 far 0 69 0 - 7.4-11.0 HD3 ARG 118 - HB2 LYS 20 far 0 82 0 - 7.5-15.9 HE3 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.6-12.8 HE3 LYS 73 - HB2 LYS 43 far 0 52 0 - 7.7-13.1 HE2 LYS 73 - HB2 LYS 43 far 0 50 0 - 7.8-14.1 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 7.8-12.2 HE3 LYS 43 - HB2 LYS 73 far 0 100 0 - 7.9-13.6 HE2 LYS 39 - HB3 LYS 44 far 0 70 0 - 8.1-13.8 HE3 LYS 43 - HB3 LYS 44 far 0 70 0 - 8.6-10.7 HD3 ARG 118 - HB3 LYS 20 far 0 82 0 - 8.7-14.5 HE3 LYS 73 - HB3 LYS 44 far 0 70 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5153 from cnoeabs.peaks (7.72, 1.60, 24.91 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 1.9-3.9 1480=100, 1481/1.8=60...(15) H LEU 70 + HG2 LYS 73 OK 67 98 80 85 4.6-7.8 ~11081=36, 3.0/11080=34...(10) H GLU 47 - HG2 LYS 44 poor 12 48 25 - 5.1-6.1 H GLU 47 - HG2 LYS 73 far 0 92 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.2 3.8=100 Violated in 6 structures by 0.06 A. Peak 5155 from cnoeabs.peaks (1.90, 1.60, 24.91 ppm; 3.04 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 46 46 100 100 2.6-3.0 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 35 35 100 100 2.6-3.0 2.9=100 HB2 LEU 45 - HG2 LYS 44 poor 12 49 25 - 4.2-7.5 HG LEU 45 - HG2 LYS 44 poor 10 42 25 - 2.5-6.5 HB2 LYS 43 - HG2 LYS 44 poor 6 44 65 22 3.9-5.5 4.7/1286=17, 3903/4.2=5, 3924=2 HB3 LYS 43 - HG2 LYS 44 far 0 54 0 - 4.8-6.1 HB2 LYS 49 - HG2 LYS 44 far 0 56 0 - 6.0-13.9 HB ILE 71 - HG2 LYS 73 far 0 100 0 - 6.2-8.0 HB2 LEU 45 - HG2 LYS 73 far 0 94 0 - 8.0-10.5 QE MET 67 - HG2 LYS 44 far 0 37 0 - 8.2-10.3 HB3 LYS 43 - HG2 LYS 73 far 0 98 0 - 8.6-11.6 HB2 LYS 43 - HG2 LYS 73 far 0 87 0 - 9.0-12.0 HG LEU 45 - HG2 LYS 73 far 0 84 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 5156 from cnoeabs.peaks (1.89, 1.60, 24.91 ppm; 3.04 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 44 44 100 100 2.6-3.0 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 33 33 100 100 2.6-3.0 2.9=100 HB2 LEU 45 - HG2 LYS 44 poor 12 48 25 - 4.2-7.5 HG LEU 45 - HG2 LYS 44 poor 11 44 25 - 2.5-6.5 HB2 LYS 43 - HG2 LYS 44 poor 6 42 65 22 3.9-5.5 4.7/1286=17, 3903/4.2=4, 3924=2 HB3 LYS 43 - HG2 LYS 44 far 0 52 0 - 4.8-6.1 HB2 LYS 49 - HG2 LYS 44 far 0 55 0 - 6.0-13.9 HB ILE 71 - HG2 LYS 73 far 0 100 0 - 6.2-8.0 HB2 LEU 45 - HG2 LYS 73 far 0 92 0 - 8.0-10.5 QE MET 67 - HG2 LYS 44 far 0 39 0 - 8.2-10.3 HB3 LYS 43 - HG2 LYS 73 far 0 97 0 - 8.6-11.6 HB2 LYS 43 - HG2 LYS 73 far 0 84 0 - 9.0-12.0 HG LEU 45 - HG2 LYS 73 far 0 87 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 5157 from cnoeabs.peaks (1.60, 1.60, 24.91 ppm; diagonal): 2 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 7 assignments used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 74 - HG2 LYS 73 far 0 87 0 - 4.3-7.5 HB3 LEU 45 - HG2 LYS 44 far 0 51 0 - 4.5-8.1 HG2 ARG 30 - HG2 LYS 44 far 0 28 0 - 6.9-10.8 HB2 LEU 74 - HG2 LYS 44 far 0 44 0 - 8.2-13.4 HB3 LEU 38 - HG2 LYS 44 far 0 33 0 - 9.3-10.7 HB3 LEU 45 - HG2 LYS 73 far 0 96 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 5159 from cnoeabs.peaks (1.68, 1.60, 24.91 ppm; 2.41 A): 4 out of 16 assignments used, quality = 1.00: * HD2 LYS 73 + HG2 LYS 73 OK 98 100 100 98 2.4-3.0 3.0=54, 1.8/5187=30...(47) HD3 LYS 73 + HG2 LYS 73 OK 98 100 100 98 2.3-3.0 3.0=54, 1.8/5177=30...(44) HD2 LYS 44 + HG2 LYS 44 OK 33 35 100 95 2.3-3.0 2.9=55, 1.8/3954=21...(60) HD3 LYS 44 + HG2 LYS 44 OK 29 31 100 96 2.3-2.7 2.9=55, 1.8/3954=21...(61) HD2 LYS 40 - HG2 LYS 44 poor 17 56 30 - 3.5-7.1 HG LEU 74 - HG2 LYS 73 poor 7 61 45 24 2.4-7.0 4.9/7671=10, ~5250=5...(6) HD3 LYS 40 - HG2 LYS 44 far 0 56 0 - 4.0-7.3 HD3 LYS 43 - HG2 LYS 73 far 0 100 0 - 5.6-9.2 HG3 LYS 39 - HG2 LYS 44 far 0 39 0 - 6.3-10.6 HG12 ILE 71 - HG2 LYS 73 far 0 94 0 - 6.4-8.4 HD2 LYS 43 - HG2 LYS 73 far 0 98 0 - 6.4-10.4 HD2 LYS 43 - HG2 LYS 44 far 0 54 0 - 6.9-8.0 HB ILE 54 - HG2 LYS 44 far 0 56 0 - 7.4-11.7 HD3 LYS 43 - HG2 LYS 44 far 0 57 0 - 7.5-8.9 HG12 ILE 71 - HG2 LYS 44 far 0 49 0 - 7.8-14.5 HG LEU 74 - HG2 LYS 44 far 0 28 0 - 8.5-12.5 Violated in 0 structures by 0.00 A. Peak 5160 from cnoeabs.peaks (1.68, 1.60, 24.91 ppm; 2.41 A): 4 out of 14 assignments used, quality = 1.00: * HD3 LYS 73 + HG2 LYS 73 OK 98 100 100 98 2.3-3.0 3.0=54, 1.8/5177=30...(44) HD2 LYS 73 + HG2 LYS 73 OK 98 100 100 98 2.4-3.0 3.0=54, 1.8/5187=30...(47) HD2 LYS 44 + HG2 LYS 44 OK 31 33 100 95 2.3-3.0 2.9=55, 1.8/3954=21...(60) HD3 LYS 44 + HG2 LYS 44 OK 27 28 100 95 2.3-2.7 2.9=55, 1.8/3954=21...(61) HD2 LYS 40 - HG2 LYS 44 poor 17 57 30 - 3.5-7.1 HD3 LYS 40 - HG2 LYS 44 far 0 56 0 - 4.0-7.3 HD3 LYS 43 - HG2 LYS 73 far 0 100 0 - 5.6-9.2 HG3 LYS 39 - HG2 LYS 44 far 0 37 0 - 6.3-10.6 HG12 ILE 71 - HG2 LYS 73 far 0 92 0 - 6.4-8.4 HD2 LYS 43 - HG2 LYS 73 far 0 99 0 - 6.4-10.4 HD2 LYS 43 - HG2 LYS 44 far 0 55 0 - 6.9-8.0 HB ILE 54 - HG2 LYS 44 far 0 57 0 - 7.4-11.7 HD3 LYS 43 - HG2 LYS 44 far 0 57 0 - 7.5-8.9 HG12 ILE 71 - HG2 LYS 44 far 0 48 0 - 7.8-14.5 Violated in 0 structures by 0.00 A. Peak 5161 from cnoeabs.peaks (2.98, 1.60, 24.91 ppm; 3.72 A): 2 out of 12 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.9 3.8=95, 5198/1.8=47...(105) HE3 LYS 73 + HG2 LYS 73 OK 99 99 100 100 2.2-3.9 3.8=95, 5198/1.8=46...(96) HE3 LYS 40 - HG2 LYS 44 far 4 35 10 - 4.9-9.1 HE2 LYS 40 - HG2 LYS 44 far 2 39 5 - 4.6-9.0 HE2 LYS 43 - HG2 LYS 73 far 0 100 0 - 5.9-11.8 HE3 LYS 39 - HG2 LYS 44 far 0 57 0 - 6.2-12.9 HE3 LYS 43 - HG2 LYS 73 far 0 97 0 - 6.4-11.9 HE2 LYS 39 - HG2 LYS 44 far 0 56 0 - 6.6-12.0 HE3 LYS 43 - HG2 LYS 44 far 0 52 0 - 6.9-10.1 HE2 LYS 43 - HG2 LYS 44 far 0 57 0 - 7.0-9.7 HE3 LYS 39 - HG2 LYS 73 far 0 100 0 - 9.6-16.8 HE3 LYS 73 - HG2 LYS 44 far 0 55 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 5162 from cnoeabs.peaks (2.98, 1.60, 24.91 ppm; 3.62 A): 2 out of 12 assignments used, quality = 1.00: * HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.9 3.8=87, 5198/1.8=44...(96) HE2 LYS 73 + HG2 LYS 73 OK 99 99 100 100 2.2-3.9 3.8=87, 5198/1.8=45...(105) HE3 LYS 40 - HG2 LYS 44 far 5 46 10 - 4.9-9.1 HE2 LYS 40 - HG2 LYS 44 far 2 49 5 - 4.6-9.0 HE2 LYS 43 - HG2 LYS 73 far 0 100 0 - 5.9-11.8 HE3 LYS 39 - HG2 LYS 44 far 0 56 0 - 6.2-12.9 HE3 LYS 43 - HG2 LYS 73 far 0 100 0 - 6.4-11.9 HE2 LYS 39 - HG2 LYS 44 far 0 57 0 - 6.6-12.0 HE3 LYS 43 - HG2 LYS 44 far 0 57 0 - 6.9-10.1 HE2 LYS 43 - HG2 LYS 44 far 0 56 0 - 7.0-9.7 HE3 LYS 39 - HG2 LYS 73 far 0 99 0 - 9.6-16.8 HE3 LYS 73 - HG2 LYS 44 far 0 57 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 5163 from cnoeabs.peaks (7.72, 1.48, 24.91 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-4.4 1480/1.8=94, 4.9=77...(18) H LEU 70 + HG3 LYS 73 OK 32 98 35 94 5.2-8.9 3.0/11081=61...(10) Violated in 0 structures by 0.00 A. Peak 5164 from cnoeabs.peaks (4.29, 1.48, 24.91 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.5-4.0 3.8=100 HA GLN 100 - HG3 LYS 73 far 0 61 0 - 9.7-14.8 Violated in 1 structures by 0.00 A. Peak 5165 from cnoeabs.peaks (1.90, 1.48, 24.91 ppm; 3.22 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB ILE 71 - HG3 LYS 73 far 0 100 0 - 6.2-9.0 HB2 LEU 45 - HG3 LYS 73 far 0 94 0 - 8.2-11.7 HG LEU 45 - HG3 LYS 73 far 0 84 0 - 8.9-12.5 HB3 LYS 43 - HG3 LYS 73 far 0 98 0 - 9.3-12.6 HB2 LYS 43 - HG3 LYS 73 far 0 87 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 5166 from cnoeabs.peaks (1.89, 1.48, 24.91 ppm; 3.22 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB ILE 71 - HG3 LYS 73 far 0 100 0 - 6.2-9.0 HB2 LEU 45 - HG3 LYS 73 far 0 92 0 - 8.2-11.7 HG LEU 45 - HG3 LYS 73 far 0 87 0 - 8.9-12.5 HB3 LYS 43 - HG3 LYS 73 far 0 97 0 - 9.3-12.6 HB2 LYS 43 - HG3 LYS 73 far 0 84 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HD2 LYS 73 + HG3 LYS 73 OK 99 100 100 99 2.3-3.0 3.0=62, 5177/1.8=33...(66) HD3 LYS 73 + HG3 LYS 73 OK 99 100 100 99 2.4-3.0 3.0=62, 5187/1.8=33...(68) HG LEU 74 - HG3 LYS 73 poor 7 61 35 32 1.9-8.1 2.1/5250=8, 4.9/7672=7...(9) HG12 ILE 71 - HG3 LYS 73 far 0 94 0 - 6.0-9.6 HD3 LYS 43 - HG3 LYS 73 far 0 100 0 - 6.4-9.9 HD2 LYS 43 - HG3 LYS 73 far 0 98 0 - 7.4-11.7 Violated in 0 structures by 0.00 A. Peak 5170 from cnoeabs.peaks (1.68, 1.48, 24.91 ppm; 2.52 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 73 + HG3 LYS 73 OK 99 100 100 99 2.4-3.0 3.0=62, 5187/1.8=33...(68) HD2 LYS 73 + HG3 LYS 73 OK 98 100 100 99 2.3-3.0 3.0=62, 5177/1.8=33...(66) HG12 ILE 71 - HG3 LYS 73 far 0 92 0 - 6.0-9.6 HD3 LYS 43 - HG3 LYS 73 far 0 100 0 - 6.4-9.9 HD2 LYS 43 - HG3 LYS 73 far 0 99 0 - 7.4-11.7 Violated in 0 structures by 0.00 A. Peak 5171 from cnoeabs.peaks (2.98, 1.48, 24.91 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-3.9 3.8=87, 1.8/5198=45...(103) HE3 LYS 73 + HG3 LYS 73 OK 99 99 100 100 2.1-3.7 3.8=87, 1.8/5198=46...(96) HE2 LYS 43 - HG3 LYS 73 far 0 100 0 - 7.0-11.9 HE3 LYS 43 - HG3 LYS 73 far 0 97 0 - 7.8-11.8 Violated in 0 structures by 0.00 A. Peak 5172 from cnoeabs.peaks (2.98, 1.48, 24.91 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.1-3.7 3.8=90, 1.8/5198=47...(96) HE2 LYS 73 + HG3 LYS 73 OK 99 99 100 100 2.2-3.9 3.8=90, 1.8/5198=45...(103) HE2 LYS 43 - HG3 LYS 73 far 0 100 0 - 7.0-11.9 HE3 LYS 43 - HG3 LYS 73 far 0 100 0 - 7.8-11.8 Violated in 0 structures by 0.00 A. Peak 5173 from cnoeabs.peaks (7.72, 1.68, 28.78 ppm; 4.24 A): 4 out of 12 assignments used, quality = 1.00: * H LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.9-5.3 1480/3.0=72, 1481/3.0=50...(20) H LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-5.0 1480/3.0=72, 1481/3.0=50...(18) H LEU 70 + HG12 ILE 71 OK 63 78 100 81 3.4-5.5 1913/4.6=48, 9795/3.2=18...(9) H LYS 73 + HG12 ILE 71 OK 53 83 75 85 4.8-6.9 2124/3.9=35, 2125/4.6=33...(10) H GLU 47 - HD2 LYS 43 far 8 84 10 - 5.4-6.9 H LEU 70 - HD2 LYS 73 far 5 98 5 - 5.0-8.9 H LEU 70 - HD3 LYS 73 far 5 98 5 - 5.6-8.0 H GLU 47 - HD3 LYS 43 far 0 92 0 - 6.3-8.1 H LEU 70 - HD3 LYS 43 far 0 98 0 - 7.0-9.9 H LEU 70 - HD2 LYS 43 far 0 92 0 - 7.0-11.4 H LYS 73 - HD3 LYS 43 far 0 100 0 - 7.7-11.0 H LYS 73 - HD2 LYS 43 far 0 96 0 - 8.1-12.7 Violated in 0 structures by 0.00 A. Peak 5174 from cnoeabs.peaks (4.29, 1.68, 28.78 ppm; 3.59 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 1.9-4.8 5128/3.0=52, 5130=40...(81) HA LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.6-5.1 5128/3.0=52, 5130=40...(81) HA LYS 73 - HG12 ILE 71 far 0 83 0 - 7.6-9.5 HA GLN 100 - HD2 LYS 96 far 0 53 0 - 8.1-10.2 HA GLN 100 - HD3 LYS 73 far 0 61 0 - 8.4-14.8 HA GLN 100 - HD3 LYS 96 far 0 55 0 - 8.9-11.1 HA LYS 73 - HD3 LYS 43 far 0 100 0 - 8.9-12.2 HA GLN 100 - HD2 LYS 73 far 0 61 0 - 9.3-15.1 HA LYS 73 - HD2 LYS 43 far 0 96 0 - 9.7-13.9 Violated in 14 structures by 0.17 A. Peak 5175 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 16 out of 57 assignments used, quality = 1.00: * HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.6 3.8=35, 2.9/5177=25...(85) HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-4.0 3.8=35, 2.9/5177=25...(85) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-4.2 3.8=35, 2.9/5177=25...(83) HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.3-3.7 3.8=35, 2.9/5177=25...(83) HB3 LYS 20 + HD3 LYS 20 OK 98 98 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 97 98 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 97 98 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(78) HB3 LYS 43 + HD3 LYS 43 OK 96 98 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 96 + HD3 LYS 96 OK 92 92 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB3 LYS 43 + HD2 LYS 43 OK 90 92 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 90 90 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB2 LYS 20 + HD3 LYS 20 OK 83 98 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB2 LYS 43 + HD3 LYS 43 OK 81 87 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 43 + HD2 LYS 43 OK 78 79 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB ILE 71 + HG12 ILE 71 OK 74 82 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(9) HB2 ARG 95 + HD2 LYS 96 OK 37 93 70 56 2.8-6.0 6028=14, 1.8/6036=10...(14) HB2 ARG 95 - HD3 LYS 96 poor 13 96 25 54 2.5-6.0 6028/1.8=13, 7789/5.7=10...(14) HG2 ARG 95 - HD3 LYS 96 far 8 55 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 8 53 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 8 76 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 4 80 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 79 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 75 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 57 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 63 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 87 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 76 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 82 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 96 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 94 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 73 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 96 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 84 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 83 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 66 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 82 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 89 0 - 7.7-9.9 HB2 LYS 44 - HD3 LYS 43 far 0 73 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 94 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 98 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 94 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 70 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 87 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 98 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 84 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 65 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 77 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 84 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 96 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 68 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 100 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 87 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 77 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 5176 from cnoeabs.peaks (1.89, 1.68, 28.78 ppm; 2.72 A): 16 out of 57 assignments used, quality = 1.00: HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.6 3.8=35, 2.9/5177=25...(85) * HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-4.2 3.8=35, 2.9/5177=25...(83) HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.3-3.7 3.8=35, 2.9/5177=25...(83) HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-4.0 3.8=35, 2.9/5177=25...(85) HB3 LYS 20 + HD3 LYS 20 OK 98 99 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 98 98 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 97 98 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(78) HB3 LYS 43 + HD3 LYS 43 OK 94 97 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 96 + HD3 LYS 96 OK 91 91 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB3 LYS 43 + HD2 LYS 43 OK 88 90 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 88 88 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB2 LYS 20 + HD3 LYS 20 OK 83 99 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB2 LYS 43 + HD3 LYS 43 OK 78 84 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 43 + HD2 LYS 43 OK 75 76 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB ILE 71 + HG12 ILE 71 OK 73 82 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(9) HB2 ARG 95 + HD2 LYS 96 OK 37 93 70 56 2.8-6.0 6028=14, 1.8/6036=10...(14) HB2 ARG 95 - HD3 LYS 96 poor 13 95 25 54 2.5-6.0 6028/1.8=13, 7789/5.7=10...(14) HG2 ARG 95 - HD3 LYS 96 far 9 59 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 9 57 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 8 80 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 4 83 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 82 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 79 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 60 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 65 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 84 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 79 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 96 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 92 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 71 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 96 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 87 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 82 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 62 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 79 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 87 0 - 7.7-9.9 HB2 LYS 44 - HD3 LYS 43 far 0 69 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 92 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 92 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 73 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 84 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 97 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 87 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 63 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 80 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 87 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 95 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 65 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 100 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 84 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 81 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 5177 from cnoeabs.peaks (1.60, 1.68, 28.78 ppm; 2.40 A): 2 out of 17 assignments used, quality = 1.00: * HG2 LYS 73 + HD2 LYS 73 OK 98 100 100 98 2.4-3.0 3.0=53, 1.8/5170=28...(44) HG2 LYS 73 + HD3 LYS 73 OK 98 100 100 98 2.3-3.0 3.0=53, 1.8/5170=28...(41) HD3 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.0-9.9 HG3 LYS 19 - HD3 LYS 20 far 0 100 0 - 4.4-9.7 HG LEU 68 - HG12 ILE 71 far 0 73 0 - 4.4-6.3 HG3 LYS 19 - HD2 LYS 20 far 0 99 0 - 4.7-10.5 HD3 LYS 19 - HD2 LYS 20 far 0 99 0 - 4.9-10.0 HD2 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.9-11.0 HD2 LYS 19 - HD2 LYS 20 far 0 99 0 - 5.2-10.8 HG2 LYS 73 - HD3 LYS 43 far 0 100 0 - 5.6-9.2 HG2 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.4-8.4 HG2 LYS 73 - HD2 LYS 43 far 0 96 0 - 6.4-10.4 HG2 LYS 44 - HD2 LYS 43 far 0 70 0 - 6.9-8.0 HG2 LYS 44 - HD3 LYS 43 far 0 77 0 - 7.5-8.9 HG2 LYS 44 - HG12 ILE 71 far 0 57 0 - 7.8-14.5 HG LEU 82 - HD3 LYS 96 far 0 96 0 - 9.0-11.5 HG LEU 82 - HD2 LYS 96 far 0 94 0 - 9.2-11.7 Violated in 6 structures by 0.02 A. Peak 5178 from cnoeabs.peaks (1.48, 1.68, 28.78 ppm; 2.40 A): 4 out of 21 assignments used, quality = 1.00: * HG3 LYS 73 + HD2 LYS 73 OK 98 100 100 98 2.3-3.0 3.0=53, 1.8/5177=30...(42) HG3 LYS 73 + HD3 LYS 73 OK 98 100 100 98 2.4-3.0 3.0=53, 1.8/5177=30...(39) HG3 LYS 20 + HD3 LYS 20 OK 96 100 100 96 2.3-3.0 3.0=54, 3078/1.8=28...(37) HG3 LYS 20 + HD2 LYS 20 OK 95 99 100 96 2.3-3.0 3.0=54, 3079/1.8=28...(37) HB2 LEU 74 - HD3 LYS 73 far 4 87 5 - 3.7-8.8 HB2 LEU 74 - HD2 LYS 73 far 0 87 0 - 4.1-8.5 HB2 LEU 74 - HG12 ILE 71 far 0 65 0 - 5.1-8.4 HG3 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.0-9.6 HG3 LYS 73 - HD3 LYS 43 far 0 100 0 - 6.4-9.9 HB2 LEU 74 - HD2 LYS 43 far 0 79 0 - 7.1-11.5 HB2 LEU 74 - HD3 LYS 43 far 0 87 0 - 7.2-10.2 HB3 LEU 38 - HG12 ILE 71 far 0 50 0 - 7.2-10.1 HG3 LYS 73 - HD2 LYS 43 far 0 96 0 - 7.4-11.7 HB3 LEU 45 - HG12 ILE 71 far 0 75 0 - 7.6-11.1 HB3 LEU 45 - HD2 LYS 43 far 0 89 0 - 8.1-10.3 HB3 LEU 45 - HD3 LYS 43 far 0 95 0 - 8.6-10.9 HG12 ILE 57 - HD3 LYS 20 far 0 65 0 - 9.2-15.5 HB3 LEU 45 - HD2 LYS 73 far 0 96 0 - 9.4-14.0 HG3 ARG 118 - HD3 LYS 20 far 0 98 0 - 9.8-16.2 HG12 ILE 57 - HD2 LYS 20 far 0 64 0 - 9.9-15.5 HB3 LEU 45 - HD3 LYS 73 far 0 95 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. 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 38 assignments used, quality = 1.00: * HE2 LYS 73 + HD2 LYS 73 OK 96 100 100 96 2.5-3.0 2.9=68, 5198/3.0=18...(47) HE2 LYS 73 + HD3 LYS 73 OK 96 100 100 96 2.3-3.0 2.9=68, 5198/3.0=18...(47) HE2 LYS 43 + HD3 LYS 43 OK 94 100 100 94 2.3-3.0 3.0=64, 3884/2.9=18...(48) HE3 LYS 73 + HD2 LYS 73 OK 94 99 100 95 2.3-3.0 2.9=68, 5198/3.0=18...(39) HE3 LYS 73 + HD3 LYS 73 OK 94 99 100 95 2.5-3.0 2.9=68, 5198/3.0=18...(39) HE3 LYS 43 + HD3 LYS 43 OK 90 97 100 93 2.5-3.0 3.0=64, 3884/2.9=17...(42) HE2 LYS 43 + HD2 LYS 43 OK 90 95 100 94 2.5-3.0 3.0=64, 3884/2.9=18...(50) HE3 LYS 43 + HD2 LYS 43 OK 84 90 100 93 2.3-3.0 3.0=64, 3884/2.9=17...(44) HE3 LYS 20 + HD3 LYS 20 OK 61 65 100 95 2.4-3.0 3.0=64, 3.9/3079=13...(47) HE2 LYS 20 + HD3 LYS 20 OK 61 65 100 95 2.3-3.0 3.0=64, 3.9/3079=13...(47) HE3 LYS 20 + HD2 LYS 20 OK 60 64 100 95 2.3-3.0 3.0=64, 3.9/3079=13...(47) HE2 LYS 20 + HD2 LYS 20 OK 60 64 100 95 2.4-3.0 3.0=64, 3.9/3079=13...(47) HE2 LYS 73 - HD3 LYS 43 far 5 100 5 - 3.9-10.9 HE3 LYS 39 - HD3 LYS 43 far 5 100 5 - 3.9-10.6 HE3 LYS 39 - HD2 LYS 43 far 5 96 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 99 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 95 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 96 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 97 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 93 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 75 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 73 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 76 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 66 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 97 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 75 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 80 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 80 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 76 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 83 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 73 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 82 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 89 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 88 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 100 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5182 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 38 assignments used, quality = 1.00: * HE3 LYS 73 + HD2 LYS 73 OK 95 100 100 95 2.3-3.0 2.9=66, 5207/3.0=17...(39) HE3 LYS 73 + HD3 LYS 73 OK 94 100 100 95 2.5-3.0 2.9=66, 5207/3.0=17...(39) HE2 LYS 73 + HD2 LYS 73 OK 94 99 100 95 2.5-3.0 2.9=66, 5198/3.0=18...(47) HE2 LYS 73 + HD3 LYS 73 OK 94 99 100 95 2.3-3.0 2.9=66, 5198/3.0=18...(47) HE2 LYS 43 + HD3 LYS 43 OK 93 100 100 94 2.3-3.0 3.0=62, 3884/2.9=17...(48) HE3 LYS 43 + HD3 LYS 43 OK 92 100 100 92 2.5-3.0 3.0=62, 3884/2.9=17...(42) HE2 LYS 43 + HD2 LYS 43 OK 89 95 100 94 2.5-3.0 3.0=62, 3884/2.9=17...(50) HE3 LYS 43 + HD2 LYS 43 OK 88 95 100 93 2.3-3.0 3.0=62, 3884/2.9=17...(44) HE3 LYS 20 + HD3 LYS 20 OK 79 83 100 95 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD3 LYS 20 OK 78 83 100 95 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 20 + HD2 LYS 20 OK 77 82 100 95 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD2 LYS 20 OK 77 82 100 95 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 39 - HD3 LYS 43 far 5 99 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 99 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 5 94 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 95 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 93 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 100 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 96 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 90 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 87 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 91 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 82 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 90 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 94 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 83 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 91 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 80 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 89 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 81 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 98 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 99 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5183 from cnoeabs.peaks (7.72, 1.68, 28.78 ppm; 4.24 A): 4 out of 12 assignments used, quality = 1.00: * H LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-5.0 1480/3.0=72, 1481/3.0=50...(18) H LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.9-5.3 1480/3.0=72, 1481/3.0=50...(19) H LEU 70 + HG12 ILE 71 OK 60 74 100 80 3.4-5.5 1913/4.6=48, 9795/3.2=18...(9) H LYS 73 + HG12 ILE 71 OK 50 78 75 85 4.8-6.9 2124/3.9=35, 2125/4.6=33...(10) H GLU 47 - HD2 LYS 43 far 9 87 10 - 5.4-6.9 H LEU 70 - HD3 LYS 73 far 5 98 5 - 5.6-8.0 H LEU 70 - HD2 LYS 73 far 5 98 5 - 5.0-8.9 H GLU 47 - HD3 LYS 43 far 0 92 0 - 6.3-8.1 H LEU 70 - HD3 LYS 43 far 0 98 0 - 7.0-9.9 H LEU 70 - HD2 LYS 43 far 0 94 0 - 7.0-11.4 H LYS 73 - HD3 LYS 43 far 0 100 0 - 7.7-11.0 H LYS 73 - HD2 LYS 43 far 0 97 0 - 8.1-12.7 Violated in 0 structures by 0.00 A. Peak 5184 from cnoeabs.peaks (4.29, 1.68, 28.78 ppm; 3.59 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.6-5.1 5128/3.0=52, 5130=40...(81) HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 1.9-4.8 5128/3.0=52, 5130=40...(81) HA LYS 73 - HG12 ILE 71 far 0 78 0 - 7.6-9.5 HA GLN 100 - HD2 LYS 96 far 0 54 0 - 8.1-10.2 HA GLN 100 - HD3 LYS 73 far 0 61 0 - 8.4-14.8 HA GLN 100 - HD3 LYS 96 far 0 56 0 - 8.9-11.1 HA LYS 73 - HD3 LYS 43 far 0 100 0 - 8.9-12.2 HA GLN 100 - HD2 LYS 73 far 0 61 0 - 9.3-15.1 HA LYS 73 - HD2 LYS 43 far 0 97 0 - 9.7-13.9 Violated in 14 structures by 0.17 A. Peak 5185 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 16 out of 57 assignments used, quality = 1.00: * HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-4.0 3.8=35, 2.9/5187=25...(85) HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.6 3.8=35, 2.9/5187=25...(85) HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.3-3.7 3.8=35, 2.9/5187=25...(83) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-4.2 3.8=35, 2.9/5187=25...(83) HB3 LYS 20 + HD3 LYS 20 OK 97 98 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 96 97 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 43 + HD3 LYS 43 OK 96 98 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB3 LYS 20 + HD2 LYS 20 OK 96 97 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(78) HB2 LYS 96 + HD3 LYS 96 OK 93 93 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB3 LYS 43 + HD2 LYS 43 OK 92 94 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 91 91 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB2 LYS 20 + HD3 LYS 20 OK 82 98 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB2 LYS 43 + HD3 LYS 43 OK 81 87 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 43 + HD2 LYS 43 OK 80 82 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB ILE 71 + HG12 ILE 71 OK 70 78 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(9) HB2 ARG 95 + HD2 LYS 96 OK 38 95 70 57 2.8-6.0 6028=14, 1.8/6036=10...(14) HB2 ARG 95 - HD3 LYS 96 poor 13 96 25 54 2.5-6.0 6028/1.8=13, 6028=10...(14) HG2 ARG 95 - HD3 LYS 96 far 8 56 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 8 54 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 8 75 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 4 79 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 77 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 74 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 53 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 59 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 89 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 78 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 97 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 94 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 69 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 84 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 78 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 68 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 84 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 90 0 - 7.7-9.9 HB2 LYS 44 - HD3 LYS 43 far 0 73 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 94 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 98 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 94 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 72 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 87 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 98 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 84 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 62 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 77 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 84 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 97 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 64 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 100 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 87 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 77 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 5186 from cnoeabs.peaks (1.89, 1.68, 28.78 ppm; 2.72 A): 16 out of 57 assignments used, quality = 1.00: HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.0-4.0 3.8=35, 2.9/5187=25...(85) * HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.3-3.7 3.8=35, 2.9/5187=25...(83) HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-3.6 3.8=35, 2.9/5187=25...(85) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.1-4.2 3.8=35, 2.9/5187=25...(83) HB3 LYS 20 + HD3 LYS 20 OK 98 98 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 97 97 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 96 97 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(78) HB3 LYS 43 + HD3 LYS 43 OK 95 97 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 96 + HD3 LYS 96 OK 91 91 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB3 LYS 43 + HD2 LYS 43 OK 90 93 100 98 2.0-3.3 3.8=35, 3.0/3847=22...(72) HB2 LYS 96 + HD2 LYS 96 OK 90 90 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB2 LYS 20 + HD3 LYS 20 OK 83 98 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB2 LYS 43 + HD3 LYS 43 OK 78 84 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB2 LYS 43 + HD2 LYS 43 OK 77 78 100 98 3.1-3.8 3.8=35, 3.0/3847=22...(84) HB ILE 71 + HG12 ILE 71 OK 70 78 100 89 2.4-3.0 3.0=73, 1467/4.6=18...(9) HB2 ARG 95 + HD2 LYS 96 OK 37 94 70 57 2.8-6.0 6028=14, 1.8/6036=10...(14) HB2 ARG 95 - HD3 LYS 96 poor 13 96 25 54 2.5-6.0 6028/1.8=13, 6028=10...(14) HG2 ARG 95 - HD3 LYS 96 far 9 59 15 - 3.0-6.4 HG2 ARG 95 - HD2 LYS 96 far 9 58 15 - 1.9-6.2 HB2 LYS 16 - HD3 LYS 20 far 8 79 10 - 4.2-7.9 HB3 LYS 16 - HD3 LYS 20 far 4 82 5 - 4.1-7.8 HB3 LYS 16 - HD2 LYS 20 far 0 80 0 - 5.1-9.1 HB2 LYS 16 - HD2 LYS 20 far 0 77 0 - 5.2-9.2 QE MET 67 - HG12 ILE 71 far 0 56 0 - 5.5-7.1 HG LEU 45 - HG12 ILE 71 far 0 62 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 87 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 82 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 97 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 92 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 67 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 87 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 78 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 64 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 82 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 87 0 - 7.7-9.9 HB2 LYS 44 - HD3 LYS 43 far 0 70 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 92 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 92 0 - 8.5-12.2 QE MET 67 - HD2 LYS 43 far 0 75 0 - 8.9-11.8 HB2 LYS 43 - HD3 LYS 73 far 0 84 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 97 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 87 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 59 0 - 9.1-12.1 QE MET 67 - HD3 LYS 43 far 0 81 0 - 9.1-11.2 HG LEU 45 - HD2 LYS 73 far 0 87 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 97 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 62 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 100 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 84 0 - 9.9-13.4 QE MET 67 - HD2 LYS 73 far 0 80 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 5187 from cnoeabs.peaks (1.60, 1.68, 28.78 ppm; 2.40 A): 2 out of 17 assignments used, quality = 1.00: * HG2 LYS 73 + HD3 LYS 73 OK 98 100 100 98 2.3-3.0 3.0=53, 1.8/5170=28...(41) HG2 LYS 73 + HD2 LYS 73 OK 98 100 100 98 2.4-3.0 3.0=53, 1.8/5170=28...(44) HD3 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.0-9.9 HG3 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.4-9.7 HG LEU 68 - HG12 ILE 71 far 0 69 0 - 4.4-6.3 HG3 LYS 19 - HD2 LYS 20 far 0 99 0 - 4.7-10.5 HD3 LYS 19 - HD2 LYS 20 far 0 98 0 - 4.9-10.0 HD2 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.9-11.0 HD2 LYS 19 - HD2 LYS 20 far 0 98 0 - 5.2-10.8 HG2 LYS 73 - HD3 LYS 43 far 0 100 0 - 5.6-9.2 HG2 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.4-8.4 HG2 LYS 73 - HD2 LYS 43 far 0 97 0 - 6.4-10.4 HG2 LYS 44 - HD2 LYS 43 far 0 72 0 - 6.9-8.0 HG2 LYS 44 - HD3 LYS 43 far 0 77 0 - 7.5-8.9 HG2 LYS 44 - HG12 ILE 71 far 0 53 0 - 7.8-14.5 HG LEU 82 - HD3 LYS 96 far 0 96 0 - 9.0-11.5 HG LEU 82 - HD2 LYS 96 far 0 95 0 - 9.2-11.7 Violated in 6 structures by 0.02 A. Peak 5188 from cnoeabs.peaks (1.48, 1.68, 28.78 ppm; 2.40 A): 4 out of 21 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 98 100 100 98 2.4-3.0 3.0=53, 1.8/5187=30...(39) HG3 LYS 73 + HD2 LYS 73 OK 98 100 100 98 2.3-3.0 3.0=53, 1.8/5187=30...(42) HG3 LYS 20 + HD3 LYS 20 OK 95 99 100 96 2.3-3.0 3.0=54, 3078/1.8=28...(37) HG3 LYS 20 + HD2 LYS 20 OK 94 98 100 96 2.3-3.0 3.0=54, 3079/1.8=28...(37) HB2 LEU 74 - HD3 LYS 73 far 4 87 5 - 3.7-8.8 HB2 LEU 74 - HD2 LYS 73 far 0 87 0 - 4.1-8.5 HB2 LEU 74 - HG12 ILE 71 far 0 62 0 - 5.1-8.4 HG3 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.0-9.6 HG3 LYS 73 - HD3 LYS 43 far 0 100 0 - 6.4-9.9 HB2 LEU 74 - HD2 LYS 43 far 0 82 0 - 7.1-11.5 HB2 LEU 74 - HD3 LYS 43 far 0 87 0 - 7.2-10.2 HB3 LEU 38 - HG12 ILE 71 far 0 47 0 - 7.2-10.1 HG3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.4-11.7 HB3 LEU 45 - HG12 ILE 71 far 0 71 0 - 7.6-11.1 HB3 LEU 45 - HD2 LYS 43 far 0 91 0 - 8.1-10.3 HB3 LEU 45 - HD3 LYS 43 far 0 96 0 - 8.6-10.9 HG12 ILE 57 - HD3 LYS 20 far 0 64 0 - 9.2-15.5 HB3 LEU 45 - HD2 LYS 73 far 0 95 0 - 9.4-14.0 HG3 ARG 118 - HD3 LYS 20 far 0 98 0 - 9.8-16.2 HG12 ILE 57 - HD2 LYS 20 far 0 62 0 - 9.9-15.5 HB3 LEU 45 - HD3 LYS 73 far 0 96 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. 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 38 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 96 100 100 96 2.3-3.0 2.9=68, 5198/3.0=18...(47) HE2 LYS 73 + HD2 LYS 73 OK 96 100 100 96 2.5-3.0 2.9=68, 5198/3.0=18...(47) HE2 LYS 43 + HD3 LYS 43 OK 94 100 100 94 2.3-3.0 3.0=64, 3884/2.9=18...(48) HE3 LYS 73 + HD3 LYS 73 OK 94 99 100 95 2.5-3.0 2.9=68, 5198/3.0=18...(39) HE3 LYS 73 + HD2 LYS 73 OK 94 99 100 95 2.3-3.0 2.9=68, 5198/3.0=18...(39) HE2 LYS 43 + HD2 LYS 43 OK 92 97 100 94 2.5-3.0 3.0=64, 3884/2.9=18...(50) HE3 LYS 43 + HD3 LYS 43 OK 90 97 100 93 2.5-3.0 3.0=64, 3884/2.9=17...(42) HE3 LYS 43 + HD2 LYS 43 OK 86 93 100 93 2.3-3.0 3.0=64, 3884/2.9=17...(44) HE3 LYS 20 + HD3 LYS 20 OK 60 64 100 95 2.4-3.0 3.0=64, 3.9/3079=13...(47) HE2 LYS 20 + HD3 LYS 20 OK 60 64 100 95 2.3-3.0 3.0=64, 3.9/3079=13...(47) HE3 LYS 20 + HD2 LYS 20 OK 59 62 100 95 2.3-3.0 3.0=64, 3.9/3079=13...(47) HE2 LYS 20 + HD2 LYS 20 OK 59 62 100 95 2.4-3.0 3.0=64, 3.9/3079=13...(47) HE3 LYS 39 - HD3 LYS 43 far 5 100 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 100 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 5 97 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 99 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 97 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 97 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 97 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 95 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 74 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 75 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 75 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 68 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 97 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 74 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 81 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 75 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 75 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 78 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 73 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 88 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 86 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 100 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5192 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 38 assignments used, quality = 1.00: * HE3 LYS 73 + HD3 LYS 73 OK 95 100 100 95 2.5-3.0 2.9=66, 5207/3.0=17...(39) HE3 LYS 73 + HD2 LYS 73 OK 94 100 100 95 2.3-3.0 2.9=66, 5207/3.0=17...(39) HE2 LYS 73 + HD3 LYS 73 OK 94 99 100 95 2.3-3.0 2.9=66, 5198/3.0=18...(47) HE2 LYS 73 + HD2 LYS 73 OK 94 99 100 95 2.5-3.0 2.9=66, 5198/3.0=18...(47) HE2 LYS 43 + HD3 LYS 43 OK 93 100 100 94 2.3-3.0 3.0=62, 3884/2.9=17...(48) HE3 LYS 43 + HD3 LYS 43 OK 92 100 100 92 2.5-3.0 3.0=62, 3884/2.9=17...(42) HE2 LYS 43 + HD2 LYS 43 OK 91 97 100 94 2.5-3.0 3.0=62, 3884/2.9=17...(50) HE3 LYS 43 + HD2 LYS 43 OK 90 97 100 93 2.3-3.0 3.0=62, 3884/2.9=17...(44) HE3 LYS 20 + HD3 LYS 20 OK 77 82 100 95 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD3 LYS 20 OK 77 82 100 95 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 20 + HD2 LYS 20 OK 76 80 100 95 2.3-3.0 3.0=62, 3.9/3079=13...(47) HE2 LYS 20 + HD2 LYS 20 OK 76 80 100 95 2.4-3.0 3.0=62, 3.9/3079=13...(47) HE3 LYS 39 - HD3 LYS 43 far 5 99 5 - 3.9-10.6 HE2 LYS 73 - HD3 LYS 43 far 5 99 5 - 3.9-10.9 HE3 LYS 39 - HD2 LYS 43 far 5 96 5 - 3.2-10.9 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 4.3-9.6 HE2 LYS 39 - HD2 LYS 43 far 0 97 0 - 4.7-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 5.2-10.6 HE2 LYS 73 - HD2 LYS 43 far 0 95 0 - 5.3-12.5 HE3 LYS 43 - HD3 LYS 73 far 0 100 0 - 5.6-11.9 HE3 LYS 73 - HD2 LYS 43 far 0 97 0 - 5.7-11.1 HB2 ASN 24 - HD2 LYS 20 far 0 89 0 - 6.2-12.3 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 6.4-11.0 HE2 LYS 40 - HD2 LYS 43 far 0 89 0 - 6.5-10.5 HB2 ASN 24 - HD3 LYS 20 far 0 90 0 - 6.8-12.4 HE3 LYS 40 - HD2 LYS 43 far 0 84 0 - 6.8-10.7 HE3 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-11.9 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 6.9-10.8 HB3 ASN 24 - HD2 LYS 20 far 0 89 0 - 7.0-13.2 HE2 LYS 40 - HD3 LYS 43 far 0 94 0 - 7.0-10.8 HE3 LYS 73 - HG12 ILE 71 far 0 78 0 - 7.3-11.3 HB3 ASN 24 - HD3 LYS 20 far 0 90 0 - 7.7-13.6 HE2 LYS 73 - HG12 ILE 71 far 0 75 0 - 8.0-10.8 HE3 LYS 40 - HD3 LYS 43 far 0 90 0 - 8.3-11.3 HE2 LYS 43 - HG12 ILE 71 far 0 77 0 - 9.4-13.7 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.6-16.1 HD3 ARG 118 - HD2 LYS 20 far 0 96 0 - 9.7-16.4 HE3 LYS 39 - HD3 LYS 73 far 0 99 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5194 from cnoeabs.peaks (4.29, 2.98, 41.78 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 73 + HE2 LYS 73 OK 100 100 100 100 4.3-6.5 5128/3.8=95, 6.5=88...(68) HA LYS 73 + HE3 LYS 73 OK 97 97 100 100 4.4-6.2 5128/3.8=95, 6.5=88...(67) HA GLN 100 - HE2 LYS 73 far 3 61 5 - 7.7-17.1 HA GLN 100 - HE3 LYS 73 far 0 57 0 - 9.0-16.7 HA LYS 73 - HE2 LYS 43 far 0 100 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 5195 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.44 A): 8 out of 51 assignments used, quality = 1.00: HB3 LYS 43 + HE2 LYS 43 OK 97 98 100 99 1.9-4.6 4.7=40, 3.0/3884=31...(78) HB2 LYS 73 + HE3 LYS 73 OK 92 97 95 100 3.5-5.0 4.9=35, 2.9/5198=32...(79) HB3 LYS 73 + HE3 LYS 73 OK 92 97 95 100 3.8-5.1 4.9=35, 2.9/5198=32...(77) HB3 LYS 43 + HE3 LYS 43 OK 89 89 100 99 2.5-4.5 4.7=40, 3.0/3884=30...(76) HB3 LYS 73 + HE2 LYS 73 OK 85 100 85 100 3.8-5.1 4.9=35, 2.9/5198=33...(79) * HB2 LYS 73 + HE2 LYS 73 OK 75 100 75 100 2.6-5.5 4.9=35, 2.9/5198=33...(81) HB2 LYS 43 + HE2 LYS 43 OK 73 86 85 100 3.4-5.4 4.7=40, 3.0/3884=31...(84) HB2 LYS 43 + HE3 LYS 43 OK 68 76 90 99 3.0-5.2 4.7=40, 3.0/3884=30...(82) HB3 LYS 43 - HE3 LYS 39 far 15 98 15 - 3.6-10.4 HB3 LYS 43 - HE2 LYS 39 far 10 97 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 39 far 8 85 10 - 3.6-9.3 HB2 LYS 43 - HE2 LYS 40 far 5 48 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 87 30 3 3.5-9.3 6081/1257=1 HB3 LYS 43 - HE2 LYS 40 far 0 59 0 - 5.3-8.5 HB3 LYS 44 - HE2 LYS 40 far 0 50 0 - 5.6-9.2 HB2 LYS 44 - HE2 LYS 40 far 0 39 0 - 6.2-9.0 HB2 LEU 45 - HE2 LYS 43 far 0 93 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 89 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 89 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 73 0 - 6.6-11.0 HG LEU 45 - HE2 LYS 43 far 0 83 0 - 6.7-10.5 HB2 LYS 44 - HE2 LYS 39 far 0 71 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 94 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 98 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 84 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 89 0 - 7.4-11.0 HB2 LYS 44 - HE3 LYS 39 far 0 73 0 - 7.5-12.8 HB3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 82 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 73 0 - 7.7-11.0 HB2 LYS 43 - HE2 LYS 73 far 0 87 0 - 7.8-14.1 QE MET 67 - HE3 LYS 39 far 0 77 0 - 7.8-11.4 HB3 LYS 73 - HE2 LYS 43 far 0 100 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 100 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 97 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 78 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 94 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 88 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 63 0 - 8.2-10.5 QE MET 67 - HE2 LYS 39 far 0 75 0 - 8.2-12.1 HB3 LYS 44 - HE3 LYS 43 far 0 79 0 - 8.6-10.7 HG LEU 45 - HE2 LYS 73 far 0 84 0 - 8.6-14.9 QE MET 67 - HE2 LYS 43 far 0 76 0 - 8.6-11.0 QE MET 67 - HE2 LYS 40 far 0 41 0 - 8.8-11.2 QE MET 67 - HE3 LYS 43 far 0 67 0 - 9.2-12.1 HG LEU 45 - HE3 LYS 39 far 0 84 0 - 9.4-14.4 HG LEU 45 - HE2 LYS 39 far 0 82 0 - 9.4-14.8 HG LEU 45 - HE2 LYS 40 far 0 46 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 84 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5196 from cnoeabs.peaks (1.89, 2.98, 41.78 ppm; 3.44 A): 8 out of 51 assignments used, quality = 1.00: HB3 LYS 43 + HE2 LYS 43 OK 96 96 100 99 1.9-4.6 4.7=40, 3.0/3884=31...(78) HB3 LYS 73 + HE3 LYS 73 OK 92 97 95 100 3.8-5.1 4.9=35, 2.9/5198=32...(77) HB2 LYS 73 + HE3 LYS 73 OK 92 97 95 100 3.5-5.0 4.9=35, 2.9/5198=32...(79) HB3 LYS 43 + HE3 LYS 43 OK 87 88 100 99 2.5-4.5 4.7=40, 3.0/3884=30...(76) * HB3 LYS 73 + HE2 LYS 73 OK 85 100 85 100 3.8-5.1 4.9=35, 2.9/5198=33...(79) HB2 LYS 73 + HE2 LYS 73 OK 75 100 75 100 2.6-5.5 4.9=35, 2.9/5198=33...(81) HB2 LYS 43 + HE2 LYS 43 OK 70 83 85 100 3.4-5.4 4.7=40, 3.0/3884=31...(84) HB2 LYS 43 + HE3 LYS 43 OK 66 73 90 99 3.0-5.2 4.7=40, 3.0/3884=30...(82) HB3 LYS 43 - HE3 LYS 39 far 15 97 15 - 3.6-10.4 HB3 LYS 43 - HE2 LYS 39 far 10 96 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 39 far 8 82 10 - 3.6-9.3 HB2 LYS 43 - HE2 LYS 40 far 5 46 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 84 30 3 3.5-9.3 6081/1257=1 HB3 LYS 43 - HE2 LYS 40 far 0 58 0 - 5.3-8.5 HB3 LYS 44 - HE2 LYS 40 far 0 48 0 - 5.6-9.2 HB2 LYS 44 - HE2 LYS 40 far 0 36 0 - 6.2-9.0 HB2 LEU 45 - HE2 LYS 43 far 0 91 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 87 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 87 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 69 0 - 6.6-11.0 HG LEU 45 - HE2 LYS 43 far 0 86 0 - 6.7-10.5 HB2 LYS 44 - HE2 LYS 39 far 0 68 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 93 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 97 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 82 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 86 0 - 7.4-11.0 HB2 LYS 44 - HE3 LYS 39 far 0 69 0 - 7.5-12.8 HB3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 78 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 76 0 - 7.7-11.0 HB2 LYS 43 - HE2 LYS 73 far 0 84 0 - 7.8-14.1 QE MET 67 - HE3 LYS 39 far 0 80 0 - 7.8-11.4 HB3 LYS 73 - HE2 LYS 43 far 0 100 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 100 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 97 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 82 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 92 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 85 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 60 0 - 8.2-10.5 QE MET 67 - HE2 LYS 39 far 0 79 0 - 8.2-12.1 HB3 LYS 44 - HE3 LYS 43 far 0 76 0 - 8.6-10.7 HG LEU 45 - HE2 LYS 73 far 0 87 0 - 8.6-14.9 QE MET 67 - HE2 LYS 43 far 0 80 0 - 8.6-11.0 QE MET 67 - HE2 LYS 40 far 0 44 0 - 8.8-11.2 QE MET 67 - HE3 LYS 43 far 0 70 0 - 9.2-12.1 HG LEU 45 - HE3 LYS 39 far 0 87 0 - 9.4-14.4 HG LEU 45 - HE2 LYS 39 far 0 85 0 - 9.4-14.8 HG LEU 45 - HE2 LYS 40 far 0 48 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 82 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5197 from cnoeabs.peaks (1.60, 2.98, 41.78 ppm; 3.08 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 73 + HE2 LYS 73 OK 100 100 100 100 2.2-3.9 3.8=54, 1.8/5198=38...(101) HG2 LYS 73 + HE3 LYS 73 OK 97 97 100 99 2.2-3.9 3.8=54, 1.8/5198=37...(92) HG2 LYS 44 - HE2 LYS 40 far 0 41 0 - 4.6-9.0 HG2 LYS 73 - HE2 LYS 43 far 0 100 0 - 5.9-11.8 HG2 LYS 44 - HE3 LYS 39 far 0 77 0 - 6.2-12.9 HG2 LYS 73 - HE3 LYS 43 far 0 93 0 - 6.4-11.9 HG2 LYS 44 - HE2 LYS 39 far 0 75 0 - 6.6-12.0 HG2 LYS 44 - HE3 LYS 43 far 0 67 0 - 6.9-10.1 HG2 LYS 44 - HE2 LYS 43 far 0 76 0 - 7.0-9.7 HG2 LYS 73 - HE3 LYS 39 far 0 100 0 - 9.6-16.8 HG2 LYS 44 - HE3 LYS 73 far 0 72 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 5198 from cnoeabs.peaks (1.48, 2.98, 41.78 ppm; 2.85 A): 2 out of 17 assignments used, quality = 1.00: * HG3 LYS 73 + HE2 LYS 73 OK 99 100 100 99 2.2-3.9 3.8=43, 1.8/5197=30...(70) HG3 LYS 73 + HE3 LYS 73 OK 96 97 100 99 2.1-3.7 3.8=43, 1.8/5207=30...(61) HB2 LEU 74 - HE3 LYS 73 far 0 82 0 - 4.6-10.6 HB2 LEU 74 - HE2 LYS 73 far 0 87 0 - 5.2-10.5 HG3 LYS 73 - HE2 LYS 43 far 0 100 0 - 7.0-11.9 HB3 LEU 38 - HE3 LYS 39 far 0 69 0 - 7.5-9.9 HB3 LEU 38 - HE2 LYS 39 far 0 68 0 - 7.5-10.0 HG3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.8-11.8 HB2 LEU 74 - HE3 LYS 43 far 0 76 0 - 7.9-12.7 HB3 LEU 45 - HE2 LYS 43 far 0 95 0 - 8.0-12.0 HB3 LEU 45 - HE3 LYS 73 far 0 91 0 - 8.2-14.9 HB3 LEU 38 - HE2 LYS 40 far 0 36 0 - 8.6-11.4 HB2 LEU 74 - HE2 LYS 43 far 0 86 0 - 8.6-12.5 HB3 LEU 38 - HE2 LYS 43 far 0 69 0 - 8.8-11.9 HB3 LEU 45 - HE3 LYS 43 far 0 86 0 - 8.8-12.0 HB3 LEU 45 - HE2 LYS 73 far 0 96 0 - 9.4-15.8 HB3 LEU 38 - HE3 LYS 43 far 0 60 0 - 9.6-12.6 Violated in 1 structures by 0.02 A. Peak 5199 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 12 out of 55 assignments used, quality = 1.00: * HD2 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.5-3.0 2.9=56, 3.0/5198=16...(41) HD3 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.3-3.0 2.9=56, 3.0/5198=16...(41) HD3 LYS 43 + HE2 LYS 43 OK 89 100 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD2 LYS 73 + HE3 LYS 73 OK 88 97 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(39) HD3 LYS 73 + HE3 LYS 73 OK 88 97 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(39) HD2 LYS 43 + HE2 LYS 43 OK 87 98 100 89 2.5-3.0 3.0=52, 2.9/3884=15...(43) HD3 LYS 43 + HE3 LYS 43 OK 82 93 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 43 + HE3 LYS 43 OK 79 89 100 88 2.3-3.0 3.0=52, 2.9/3884=15...(41) HD2 LYS 40 + HE2 LYS 40 OK 56 62 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE2 LYS 40 OK 55 61 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HG3 LYS 39 + HE2 LYS 39 OK 54 79 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(41) HG3 LYS 39 + HE3 LYS 39 OK 45 80 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD3 LYS 40 - HE3 LYS 39 poor 20 99 20 - 2.3-7.6 HG LEU 74 - HE3 LYS 73 poor 17 57 30 - 2.1-9.7 HG LEU 74 - HE2 LYS 73 poor 15 61 25 - 3.1-10.2 HD2 LYS 40 - HE3 LYS 39 far 15 100 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 99 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 5 100 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 5 98 5 - 3.2-10.9 HD3 LYS 40 - HE2 LYS 39 lone 1 98 25 4 2.7-7.3 3701/5.0=1 HD3 LYS 43 - HE2 LYS 73 far 0 100 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 44 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 97 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 92 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 97 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 99 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 92 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 80 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 34 0 - 5.1-10.7 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 70 0 - 5.2-9.2 HD2 LYS 43 - HE2 LYS 73 far 0 98 0 - 5.3-12.5 HD2 LYS 40 - HE2 LYS 43 far 0 99 0 - 5.4-9.4 HD3 LYS 73 - HE3 LYS 43 far 0 93 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 94 0 - 5.7-11.1 HD2 LYS 44 - HE2 LYS 40 far 0 39 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 52 0 - 6.1-10.6 HD3 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 59 0 - 6.5-10.5 HG LEU 74 - HE2 LYS 43 far 0 61 0 - 6.6-10.4 HD2 LYS 73 - HE3 LYS 43 far 0 93 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 63 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 64 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 65 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 89 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 94 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 73 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 73 0 - 8.2-15.0 HD2 LYS 44 - HE2 LYS 39 far 0 71 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 56 0 - 8.6-11.5 HD3 LYS 44 - HE2 LYS 43 far 0 65 0 - 8.7-12.0 HD2 LYS 44 - HE3 LYS 43 far 0 63 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 93 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 100 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5200 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 12 out of 51 assignments used, quality = 1.00: * HD3 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.3-3.0 2.9=56, 3.0/5198=16...(41) HD2 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.5-3.0 2.9=56, 3.0/5198=16...(41) HD3 LYS 43 + HE2 LYS 43 OK 89 100 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD3 LYS 73 + HE3 LYS 73 OK 88 97 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(39) HD2 LYS 73 + HE3 LYS 73 OK 88 97 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(39) HD2 LYS 43 + HE2 LYS 43 OK 88 98 100 90 2.5-3.0 3.0=52, 2.9/3884=15...(44) HD3 LYS 43 + HE3 LYS 43 OK 82 93 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 43 + HE3 LYS 43 OK 80 91 100 88 2.3-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 40 + HE2 LYS 40 OK 57 62 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE2 LYS 40 OK 56 62 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HG3 LYS 39 + HE2 LYS 39 OK 51 75 80 86 2.5-4.2 3.6=30, 1.8/3642=22...(41) HG3 LYS 39 + HE3 LYS 39 OK 43 77 65 86 2.1-4.2 3.6=30, 1.8/3642=22...(41) HD3 LYS 40 - HE3 LYS 39 poor 20 100 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 15 100 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 99 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 5 100 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 5 99 5 - 3.2-10.9 HD3 LYS 40 - HE2 LYS 39 lone 1 99 25 4 2.7-7.3 3701/5.0=1 HD3 LYS 43 - HE2 LYS 73 far 0 100 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 41 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 97 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 92 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 98 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 99 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 93 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 76 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 31 0 - 5.1-10.7 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 67 0 - 5.2-9.2 HD2 LYS 43 - HE2 LYS 73 far 0 99 0 - 5.3-12.5 HD2 LYS 40 - HE2 LYS 43 far 0 100 0 - 5.4-9.4 HD3 LYS 73 - HE3 LYS 43 far 0 93 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 95 0 - 5.7-11.1 HD2 LYS 44 - HE2 LYS 40 far 0 36 0 - 6.1-10.7 HD3 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 60 0 - 6.5-10.5 HD2 LYS 73 - HE3 LYS 43 far 0 93 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 100 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 63 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 60 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 61 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 87 0 - 7.3-11.3 HG12 ILE 71 - HE2 LYS 73 far 0 92 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 69 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 69 0 - 8.2-15.0 HD2 LYS 44 - HE2 LYS 39 far 0 68 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 52 0 - 8.6-11.5 HD3 LYS 44 - HE2 LYS 43 far 0 61 0 - 8.7-12.0 HD2 LYS 44 - HE3 LYS 43 far 0 60 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 91 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 100 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5201 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 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 64 assignments used, quality = 1.00: HB3 LYS 43 + HE3 LYS 43 OK 96 98 100 99 2.5-4.5 4.7=37, 3.0/3884=28...(77) HB3 LYS 43 + HE2 LYS 43 OK 96 97 100 99 1.9-4.6 4.7=37, 3.0/3884=29...(78) * HB2 LYS 73 + HE3 LYS 73 OK 94 100 95 99 3.5-5.0 4.9=32, 2.9/5207=31...(79) HB3 LYS 73 + HE3 LYS 73 OK 84 100 85 99 3.8-5.1 4.9=32, 2.9/5207=31...(77) HB3 LYS 73 + HE2 LYS 73 OK 82 97 85 99 3.8-5.1 4.9=32, 2.9/5207=30...(79) HB2 LYS 73 + HE2 LYS 73 OK 73 97 75 99 2.6-5.5 4.9=32, 2.9/5207=30...(81) HB2 LYS 43 + HE3 LYS 43 OK 72 86 85 99 3.0-5.2 4.7=37, 3.0/3884=28...(83) HB2 LYS 43 + HE2 LYS 43 OK 72 85 85 99 3.4-5.4 4.7=37, 3.0/3884=29...(84) HB3 LYS 20 + HE2 LYS 20 OK 62 65 95 99 2.2-5.1 4.8=33, 2.9/3071=20...(104) HB2 LYS 20 + HE2 LYS 20 OK 58 65 90 99 2.4-5.5 4.8=33, 2.9/3070=20...(104) HB2 LYS 20 + HE3 LYS 20 OK 58 65 90 99 3.2-5.1 4.8=33, 2.9/3070=20...(104) HB3 LYS 20 + HE3 LYS 20 OK 52 65 80 99 2.1-5.1 4.8=33, 2.9/3071=20...(104) HB3 LYS 43 - HE3 LYS 39 far 14 96 15 - 3.6-10.4 HB3 LYS 43 - HE2 LYS 39 far 10 98 10 - 4.2-10.6 HB3 LYS 16 - HE2 LYS 20 poor 10 48 20 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 39 far 9 86 10 - 3.6-9.3 HB3 LYS 16 - HE3 LYS 20 far 7 48 15 - 3.5-10.4 HB2 LYS 43 - HE2 LYS 40 far 7 70 10 - 4.5-7.3 HB2 LYS 16 - HE3 LYS 20 far 7 45 15 - 3.1-10.7 HB2 LYS 16 - HE2 LYS 20 far 7 45 15 - 3.3-10.6 HB2 LYS 43 - HE3 LYS 39 lone 1 83 25 3 3.5-9.3 6081/1257=1 HB2 LYS 43 - HE3 LYS 40 far 0 62 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 83 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 74 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 72 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 64 0 - 5.8-9.9 HB2 LYS 44 - HE2 LYS 40 far 0 57 0 - 6.2-9.0 HB2 LYS 44 - HE3 LYS 40 far 0 50 0 - 6.3-9.4 HB2 LEU 45 - HE2 LYS 43 far 0 92 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 86 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 94 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 71 0 - 6.6-11.0 HG LEU 45 - HE2 LYS 43 far 0 82 0 - 6.7-10.5 HB2 LYS 44 - HE2 LYS 39 far 0 73 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 98 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 94 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 93 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 88 0 - 7.4-11.0 HB2 LYS 44 - HE3 LYS 39 far 0 70 0 - 7.5-12.8 HB3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 87 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 83 0 - 7.7-11.0 HB2 LYS 43 - HE2 LYS 73 far 0 82 0 - 7.8-14.1 QE MET 67 - HE3 LYS 39 far 0 74 0 - 7.8-11.4 HB3 LYS 73 - HE2 LYS 43 far 0 99 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 97 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 100 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 84 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 89 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 89 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 73 0 - 8.2-10.5 QE MET 67 - HE2 LYS 39 far 0 76 0 - 8.2-12.1 HB3 LYS 44 - HE3 LYS 43 far 0 89 0 - 8.6-10.7 HG LEU 45 - HE2 LYS 73 far 0 78 0 - 8.6-14.9 QE MET 67 - HE2 LYS 43 far 0 75 0 - 8.6-11.0 QE MET 67 - HE2 LYS 40 far 0 61 0 - 8.8-11.2 QE MET 67 - HE3 LYS 43 far 0 76 0 - 9.2-12.1 QE MET 67 - HE3 LYS 40 far 0 53 0 - 9.4-12.1 HG LEU 45 - HE3 LYS 39 far 0 80 0 - 9.4-14.4 HG LEU 45 - HE2 LYS 39 far 0 83 0 - 9.4-14.8 HG LEU 45 - HE2 LYS 40 far 0 67 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 90 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5206 from cnoeabs.peaks (1.89, 2.98, 41.78 ppm; 3.34 A): 12 out of 64 assignments used, quality = 1.00: HB3 LYS 43 + HE3 LYS 43 OK 95 96 100 99 2.5-4.5 4.7=37, 3.0/3884=28...(77) HB3 LYS 43 + HE2 LYS 43 OK 95 96 100 99 1.9-4.6 4.7=37, 3.0/3884=29...(78) HB2 LYS 73 + HE3 LYS 73 OK 94 100 95 99 3.5-5.0 4.9=32, 2.9/5207=31...(79) * HB3 LYS 73 + HE3 LYS 73 OK 84 100 85 99 3.8-5.1 4.9=32, 2.9/5207=31...(77) HB3 LYS 73 + HE2 LYS 73 OK 82 97 85 99 3.8-5.1 4.9=32, 2.9/5207=30...(79) HB2 LYS 73 + HE2 LYS 73 OK 73 97 75 99 2.6-5.5 4.9=32, 2.9/5207=30...(81) HB2 LYS 43 + HE3 LYS 43 OK 70 83 85 99 3.0-5.2 4.7=37, 3.0/3884=28...(83) HB2 LYS 43 + HE2 LYS 43 OK 69 82 85 99 3.4-5.4 4.7=37, 3.0/3884=29...(84) HB3 LYS 20 + HE2 LYS 20 OK 63 66 95 99 2.2-5.1 4.8=33, 2.9/3071=20...(104) HB2 LYS 20 + HE2 LYS 20 OK 59 66 90 99 2.4-5.5 4.8=33, 2.9/3070=20...(104) HB2 LYS 20 + HE3 LYS 20 OK 59 66 90 99 3.2-5.1 4.8=33, 2.9/3070=20...(104) HB3 LYS 20 + HE3 LYS 20 OK 53 66 80 99 2.1-5.1 4.8=33, 2.9/3071=20...(104) HB3 LYS 43 - HE3 LYS 39 far 14 94 15 - 3.6-10.4 HB3 LYS 16 - HE2 LYS 20 poor 10 50 20 - 4.2-10.6 HB3 LYS 43 - HE2 LYS 39 far 10 96 10 - 4.2-10.6 HB2 LYS 43 - HE2 LYS 39 far 8 83 10 - 3.6-9.3 HB3 LYS 16 - HE3 LYS 20 far 8 50 15 - 3.5-10.4 HB2 LYS 16 - HE3 LYS 20 far 7 48 15 - 3.1-10.7 HB2 LYS 16 - HE2 LYS 20 far 7 48 15 - 3.3-10.6 HB2 LYS 43 - HE2 LYS 40 far 7 67 10 - 4.5-7.3 HB2 LYS 43 - HE3 LYS 39 lone 1 80 25 3 3.5-9.3 6081/1257=1 HB2 LYS 43 - HE3 LYS 40 far 0 59 0 - 5.2-7.5 HB3 LYS 43 - HE2 LYS 40 far 0 81 0 - 5.3-8.5 HB3 LYS 43 - HE3 LYS 40 far 0 72 0 - 5.4-8.7 HB3 LYS 44 - HE2 LYS 40 far 0 70 0 - 5.6-9.2 HB3 LYS 44 - HE3 LYS 40 far 0 62 0 - 5.8-9.9 HB2 LYS 44 - HE2 LYS 40 far 0 54 0 - 6.2-9.0 HB2 LYS 44 - HE3 LYS 40 far 0 47 0 - 6.3-9.4 HB2 LEU 45 - HE2 LYS 43 far 0 90 0 - 6.3-10.4 HB3 LYS 44 - HE3 LYS 39 far 0 83 0 - 6.4-14.0 HB2 LEU 45 - HE3 LYS 73 far 0 92 0 - 6.6-13.4 HB2 LYS 44 - HE2 LYS 43 far 0 68 0 - 6.6-11.0 HG LEU 45 - HE2 LYS 43 far 0 85 0 - 6.7-10.5 HB2 LYS 44 - HE2 LYS 39 far 0 69 0 - 6.8-12.9 HB3 LYS 43 - HE3 LYS 73 far 0 97 0 - 6.9-12.6 HB2 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.9-13.1 HB3 LYS 43 - HE2 LYS 73 far 0 93 0 - 6.9-13.8 HB2 LEU 45 - HE3 LYS 43 far 0 91 0 - 7.1-10.3 HB3 LYS 44 - HE2 LYS 43 far 0 85 0 - 7.4-11.0 HB2 LYS 44 - HE3 LYS 39 far 0 66 0 - 7.5-12.8 HB3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.6-12.8 HB2 LYS 43 - HE3 LYS 73 far 0 84 0 - 7.7-13.1 HG LEU 45 - HE3 LYS 43 far 0 86 0 - 7.7-11.0 HB2 LYS 43 - HE2 LYS 73 far 0 78 0 - 7.8-14.1 QE MET 67 - HE3 LYS 39 far 0 77 0 - 7.8-11.4 HB3 LYS 73 - HE2 LYS 43 far 0 99 0 - 7.8-12.2 HB ILE 71 - HE2 LYS 73 far 0 97 0 - 7.8-10.9 HB ILE 71 - HE3 LYS 73 far 0 100 0 - 7.8-11.1 HG LEU 45 - HE3 LYS 73 far 0 87 0 - 7.9-14.0 HB2 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.9-13.6 HB2 LEU 45 - HE2 LYS 73 far 0 87 0 - 8.0-14.3 HB3 LYS 44 - HE2 LYS 39 far 0 86 0 - 8.1-13.8 HB2 LYS 44 - HE3 LYS 43 far 0 69 0 - 8.2-10.5 QE MET 67 - HE2 LYS 39 far 0 80 0 - 8.2-12.1 HB3 LYS 44 - HE3 LYS 43 far 0 86 0 - 8.6-10.7 HG LEU 45 - HE2 LYS 73 far 0 82 0 - 8.6-14.9 QE MET 67 - HE2 LYS 43 far 0 79 0 - 8.6-11.0 QE MET 67 - HE2 LYS 40 far 0 64 0 - 8.8-11.2 QE MET 67 - HE3 LYS 43 far 0 80 0 - 9.2-12.1 QE MET 67 - HE3 LYS 40 far 0 56 0 - 9.4-12.1 HG LEU 45 - HE3 LYS 39 far 0 83 0 - 9.4-14.4 HG LEU 45 - HE2 LYS 39 far 0 86 0 - 9.4-14.8 HG LEU 45 - HE2 LYS 40 far 0 70 0 - 10.0-12.3 HB3 LYS 44 - HE3 LYS 73 far 0 87 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 5207 from cnoeabs.peaks (1.60, 2.98, 41.78 ppm; 2.95 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.2-3.9 3.8=47, 1.8/5198=32...(68) HG2 LYS 73 + HE2 LYS 73 OK 97 97 100 99 2.2-3.9 3.8=47, 1.8/5198=33...(77) HD3 LYS 19 - HE3 LYS 20 far 3 67 5 - 3.7-11.8 HD2 LYS 19 - HE3 LYS 20 far 3 67 5 - 4.4-13.0 HG3 LYS 19 - HE3 LYS 20 far 0 68 0 - 4.6-11.7 HG2 LYS 44 - HE2 LYS 40 far 0 61 0 - 4.6-9.0 HD3 LYS 19 - HE2 LYS 20 far 0 67 0 - 4.8-11.5 HG2 LYS 44 - HE3 LYS 40 far 0 53 0 - 4.9-9.1 HG3 LYS 19 - HE2 LYS 20 far 0 68 0 - 5.3-11.8 HD2 LYS 19 - HE2 LYS 20 far 0 67 0 - 5.6-12.5 HG2 LYS 73 - HE2 LYS 43 far 0 99 0 - 5.9-11.8 HG2 LYS 44 - HE3 LYS 39 far 0 74 0 - 6.2-12.9 HG2 LYS 73 - HE3 LYS 43 far 0 100 0 - 6.4-11.9 HG2 LYS 44 - HE2 LYS 39 far 0 76 0 - 6.6-12.0 HG2 LYS 44 - HE3 LYS 43 far 0 76 0 - 6.9-10.1 HG2 LYS 44 - HE2 LYS 43 far 0 75 0 - 7.0-9.7 HG2 LYS 73 - HE3 LYS 39 far 0 99 0 - 9.6-16.8 HG2 LYS 44 - HE3 LYS 73 far 0 77 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 5208 from cnoeabs.peaks (1.48, 2.98, 41.78 ppm; 2.86 A): 4 out of 22 assignments used, quality = 1.00: * HG3 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.1-3.7 3.8=43, 1.8/5207=32...(61) HG3 LYS 73 + HE2 LYS 73 OK 96 97 100 99 2.2-3.9 3.8=43, 1.8/5207=31...(70) HG3 LYS 20 + HE3 LYS 20 OK 66 68 100 97 2.1-4.2 3.9=40, 3079/3.0=25...(56) HG3 LYS 20 + HE2 LYS 20 OK 66 68 100 97 2.3-4.2 3.9=40, 3079/3.0=25...(56) HB2 LEU 74 - HE3 LYS 73 far 0 87 0 - 4.6-10.6 HB2 LEU 74 - HE2 LYS 73 far 0 82 0 - 5.2-10.5 HG3 LYS 73 - HE2 LYS 43 far 0 99 0 - 7.0-11.9 HB3 LEU 38 - HE3 LYS 39 far 0 66 0 - 7.5-9.9 HB3 LEU 38 - HE2 LYS 39 far 0 69 0 - 7.5-10.0 HG3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.8-11.8 HB2 LEU 74 - HE3 LYS 43 far 0 86 0 - 7.9-12.7 HB3 LEU 45 - HE2 LYS 43 far 0 94 0 - 8.0-12.0 HB3 LEU 45 - HE3 LYS 73 far 0 96 0 - 8.2-14.9 HB3 LEU 38 - HE2 LYS 40 far 0 54 0 - 8.6-11.4 HB2 LEU 74 - HE2 LYS 43 far 0 85 0 - 8.6-12.5 HB3 LEU 38 - HE2 LYS 43 far 0 68 0 - 8.8-11.9 HB3 LEU 38 - HE3 LYS 40 far 0 47 0 - 8.8-12.3 HB3 LEU 45 - HE3 LYS 43 far 0 95 0 - 8.8-12.0 HG3 ARG 118 - HE3 LYS 20 far 0 65 0 - 8.9-17.6 HB3 LEU 45 - HE2 LYS 73 far 0 91 0 - 9.4-15.8 HG3 ARG 118 - HE2 LYS 20 far 0 65 0 - 9.4-17.5 HB3 LEU 38 - HE3 LYS 43 far 0 69 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 5209 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 18 out of 72 assignments used, quality = 1.00: * HD2 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(39) HD3 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(39) HD2 LYS 73 + HE2 LYS 73 OK 89 97 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(41) HD3 LYS 73 + HE2 LYS 73 OK 89 97 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(41) HD3 LYS 43 + HE2 LYS 43 OK 89 99 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD3 LYS 43 + HE3 LYS 43 OK 88 100 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 43 + HE2 LYS 43 OK 87 97 100 90 2.5-3.0 3.0=52, 2.9/3884=15...(44) HD2 LYS 43 + HE3 LYS 43 OK 86 98 100 88 2.3-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 40 + HE2 LYS 40 OK 78 86 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE2 LYS 40 OK 78 85 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD2 LYS 40 + HE3 LYS 40 OK 71 77 100 91 2.2-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE3 LYS 40 OK 70 76 100 91 2.6-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 20 + HE3 LYS 20 OK 62 68 100 91 2.4-3.0 3.0=52, 3079/3.9=11...(47) HD3 LYS 20 + HE2 LYS 20 OK 62 68 100 91 2.3-3.0 3.0=52, 3079/3.9=11...(47) HD2 LYS 20 + HE3 LYS 20 OK 61 67 100 91 2.3-3.0 3.0=52, 3079/3.9=11...(47) HD2 LYS 20 + HE2 LYS 20 OK 61 67 100 91 2.4-3.0 3.0=52, 3079/3.9=11...(47) HG3 LYS 39 + HE2 LYS 39 OK 55 80 80 85 2.5-4.2 3.6=30, 1.8/3632=22...(41) HG3 LYS 39 + HE3 LYS 39 OK 43 77 65 85 2.1-4.2 3.6=30, 1.8/3632=22...(41) HD3 LYS 40 - HE3 LYS 39 poor 19 97 20 - 2.3-7.6 HG LEU 74 - HE3 LYS 73 poor 18 61 30 - 2.1-9.7 HD2 LYS 40 - HE3 LYS 39 far 15 98 15 - 2.4-8.7 HG LEU 74 - HE2 LYS 73 poor 14 57 25 - 3.1-10.2 HD2 LYS 40 - HE2 LYS 39 far 10 99 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 5 99 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 5 96 5 - 3.2-10.9 HD3 LYS 40 - HE2 LYS 39 lone 1 99 25 4 2.7-7.3 3701/5.0=1 HG3 LYS 39 - HE3 LYS 40 far 0 56 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 97 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 64 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 100 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 99 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 98 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 98 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 99 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 79 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 50 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 44 0 - 5.2-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 100 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 80 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 66 0 - 5.3-13.1 HD2 LYS 43 - HE2 LYS 73 far 0 94 0 - 5.3-12.5 HD2 LYS 16 - HE2 LYS 20 far 0 68 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 99 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 68 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 100 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 98 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 50 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 57 0 - 6.1-10.7 HG LEU 74 - HE3 LYS 43 far 0 61 0 - 6.1-10.6 HD3 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 83 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 66 0 - 6.5-13.3 HG LEU 74 - HE2 LYS 43 far 0 60 0 - 6.6-10.4 HD2 LYS 43 - HE3 LYS 40 far 0 74 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 100 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 87 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 65 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 62 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 94 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 66 0 - 7.3-11.3 HD2 LYS 17 - HE3 LYS 20 far 0 66 0 - 7.4-11.5 HG12 ILE 71 - HE2 LYS 73 far 0 89 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 71 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 70 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 78 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 73 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 65 0 - 8.6-11.5 HD3 LYS 44 - HE2 LYS 43 far 0 64 0 - 8.7-12.0 HD2 LYS 44 - HE3 LYS 43 far 0 73 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 92 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 99 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5210 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 18 out of 68 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.3-3.0 2.9=56, 3.0/5207=15...(39) * HD3 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.5-3.0 2.9=56, 3.0/5207=15...(39) HD3 LYS 73 + HE2 LYS 73 OK 89 97 100 91 2.3-3.0 2.9=56, 3.0/5198=15...(41) HD2 LYS 73 + HE2 LYS 73 OK 89 97 100 91 2.5-3.0 2.9=56, 3.0/5198=15...(41) HD3 LYS 43 + HE2 LYS 43 OK 89 99 100 89 2.3-3.0 3.0=52, 2.9/3884=15...(44) HD3 LYS 43 + HE3 LYS 43 OK 88 100 100 88 2.5-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 43 + HE2 LYS 43 OK 88 98 100 90 2.5-3.0 3.0=52, 2.9/3884=15...(44) HD2 LYS 43 + HE3 LYS 43 OK 87 98 100 88 2.3-3.0 3.0=52, 2.9/3884=15...(42) HD2 LYS 40 + HE2 LYS 40 OK 79 86 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE2 LYS 40 OK 78 86 100 91 2.3-3.0 3.0=53, 3707/1.8=13...(36) HD2 LYS 40 + HE3 LYS 40 OK 71 78 100 91 2.2-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 40 + HE3 LYS 40 OK 71 77 100 91 2.6-3.0 3.0=53, 3707/1.8=13...(36) HD3 LYS 20 + HE3 LYS 20 OK 61 67 100 91 2.4-3.0 3.0=52, 3079/3.9=11...(47) HD3 LYS 20 + HE2 LYS 20 OK 61 67 100 91 2.3-3.0 3.0=52, 3079/3.9=11...(47) HD2 LYS 20 + HE3 LYS 20 OK 61 66 100 91 2.3-3.0 3.0=52, 3079/3.9=11...(47) HD2 LYS 20 + HE2 LYS 20 OK 60 66 100 91 2.4-3.0 3.0=52, 3079/3.9=11...(47) HG3 LYS 39 + HE2 LYS 39 OK 52 76 80 85 2.5-4.2 3.6=30, 1.8/3632=22...(41) HG3 LYS 39 + HE3 LYS 39 OK 41 74 65 85 2.1-4.2 3.6=30, 1.8/3632=22...(41) HD3 LYS 40 - HE3 LYS 39 poor 20 98 20 - 2.3-7.6 HD2 LYS 40 - HE3 LYS 39 far 15 98 15 - 2.4-8.7 HD2 LYS 40 - HE2 LYS 39 far 10 100 10 - 2.0-8.3 HD3 LYS 43 - HE3 LYS 39 far 5 99 5 - 3.9-10.6 HD2 LYS 43 - HE3 LYS 39 far 5 97 5 - 3.2-10.9 HD3 LYS 40 - HE2 LYS 39 lone 1 99 25 4 2.7-7.3 3701/5.0=1 HG3 LYS 39 - HE3 LYS 40 far 0 53 0 - 3.9-9.0 HD3 LYS 43 - HE2 LYS 73 far 0 97 0 - 3.9-10.9 HG3 LYS 39 - HE2 LYS 40 far 0 61 0 - 4.1-8.5 HD3 LYS 43 - HE3 LYS 73 far 0 100 0 - 4.3-9.6 HD3 LYS 40 - HE3 LYS 43 far 0 99 0 - 4.5-9.0 HD2 LYS 43 - HE2 LYS 39 far 0 98 0 - 4.7-11.4 HD3 LYS 40 - HE2 LYS 43 far 0 99 0 - 4.8-9.6 HD2 LYS 40 - HE3 LYS 43 far 0 100 0 - 4.9-10.4 HG3 LYS 39 - HE2 LYS 43 far 0 75 0 - 5.0-9.1 HD3 LYS 44 - HE2 LYS 40 far 0 47 0 - 5.1-10.7 HD3 LYS 44 - HE3 LYS 40 far 0 41 0 - 5.2-10.4 HD3 LYS 43 - HE2 LYS 39 far 0 100 0 - 5.2-10.6 HG3 LYS 39 - HE3 LYS 43 far 0 76 0 - 5.2-9.2 HD3 LYS 16 - HE2 LYS 20 far 0 65 0 - 5.3-13.1 HD2 LYS 43 - HE2 LYS 73 far 0 95 0 - 5.3-12.5 HD2 LYS 16 - HE2 LYS 20 far 0 68 0 - 5.4-12.9 HD2 LYS 40 - HE2 LYS 43 far 0 99 0 - 5.4-9.4 HD2 LYS 16 - HE3 LYS 20 far 0 68 0 - 5.5-12.4 HD3 LYS 73 - HE3 LYS 43 far 0 100 0 - 5.6-11.9 HD2 LYS 43 - HE3 LYS 73 far 0 99 0 - 5.7-11.1 HD2 LYS 44 - HE3 LYS 40 far 0 47 0 - 5.8-10.8 HD2 LYS 44 - HE2 LYS 40 far 0 54 0 - 6.1-10.7 HD3 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.4-11.0 HD2 LYS 43 - HE2 LYS 40 far 0 84 0 - 6.5-10.5 HD3 LYS 16 - HE3 LYS 20 far 0 65 0 - 6.5-13.3 HD2 LYS 43 - HE3 LYS 40 far 0 75 0 - 6.8-10.7 HD2 LYS 73 - HE3 LYS 43 far 0 100 0 - 6.9-11.9 HD2 LYS 73 - HE2 LYS 43 far 0 99 0 - 6.9-10.8 HD3 LYS 43 - HE2 LYS 40 far 0 87 0 - 7.0-10.8 HD3 LYS 44 - HE2 LYS 39 far 0 61 0 - 7.2-13.9 HD3 LYS 44 - HE3 LYS 39 far 0 58 0 - 7.3-14.6 HG12 ILE 71 - HE3 LYS 73 far 0 92 0 - 7.3-11.3 HD2 LYS 17 - HE2 LYS 20 far 0 67 0 - 7.3-11.3 HD2 LYS 17 - HE3 LYS 20 far 0 67 0 - 7.4-11.5 HG12 ILE 71 - HE2 LYS 73 far 0 87 0 - 8.0-10.8 HD2 LYS 44 - HE2 LYS 43 far 0 68 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 39 far 0 66 0 - 8.2-15.0 HD3 LYS 43 - HE3 LYS 40 far 0 78 0 - 8.3-11.3 HD2 LYS 44 - HE2 LYS 39 far 0 69 0 - 8.4-14.2 HD3 LYS 44 - HE3 LYS 43 far 0 61 0 - 8.6-11.5 HD3 LYS 44 - HE2 LYS 43 far 0 60 0 - 8.7-12.0 HD2 LYS 44 - HE3 LYS 43 far 0 69 0 - 8.8-12.0 HG12 ILE 71 - HE2 LYS 43 far 0 90 0 - 9.4-13.7 HD3 LYS 73 - HE3 LYS 39 far 0 99 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 5211 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 10 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 74 + HA LEU 74 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 73 + HA LEU 74 OK 56 87 65 99 3.0-6.7 ~7671=45, ~456=39...(27) HG LEU 4 - HA LEU 74 far 0 77 0 - 8.7-12.4 HG2 LYS 49 - HA LEU 74 far 0 96 0 - 8.9-16.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5217 from cnoeabs.peaks (1.70, 4.23, 55.20 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 74 + HA LEU 74 OK 100 100 100 100 2.6-3.7 3.7=100 HD2 LYS 73 + HA LEU 74 OK 30 61 55 90 2.5-7.0 ~7671=29, ~456=23...(16) HG12 ILE 71 - HA LEU 74 far 0 92 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 5218 from cnoeabs.peaks (0.82, 4.23, 55.20 ppm; 3.09 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 74 + HA LEU 74 OK 100 100 100 100 2.0-2.6 5249=100, 5248/2.9=35...(14) * QD1 LEU 74 + HA LEU 74 OK 96 100 100 96 2.3-4.0 2.1/5249=67, 4.0=45...(15) QG2 ILE 71 - HA LEU 74 far 0 100 0 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 5219 from cnoeabs.peaks (0.82, 4.23, 55.20 ppm; 3.09 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 74 + HA LEU 74 OK 100 100 100 100 2.0-2.6 5249=100, 5248/2.9=35...(14) QD1 LEU 74 + HA LEU 74 OK 96 100 100 96 2.3-4.0 2.1/5249=67, 4.0=45...(15) QG2 ILE 71 - HA LEU 74 far 0 100 0 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 5220 from cnoeabs.peaks (7.61, 1.47, 41.49 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.1-3.7 3.8=100 H GLU 69 - HB2 LEU 74 far 0 65 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5224 from cnoeabs.peaks (1.70, 1.47, 41.49 ppm; 4.33 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 71 - HB2 LEU 74 poor 18 92 20 - 5.1-8.4 HD2 LYS 73 - HB2 LEU 74 poor 16 61 35 74 4.1-8.5 5217/3.0=15, 5252/3.1=15...(17) HD2 LYS 44 - HB2 LEU 74 far 0 100 0 - 8.8-15.1 HD3 LYS 44 - HB2 LEU 74 far 0 100 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 5225 from cnoeabs.peaks (0.82, 1.47, 41.49 ppm; 3.89 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.1-3.2 3.1=100 QG2 ILE 71 + HB2 LEU 74 OK 88 100 90 98 2.4-5.4 9789=60, 5087/3.0=27...(23) Violated in 0 structures by 0.00 A. Peak 5226 from cnoeabs.peaks (0.82, 1.47, 41.49 ppm; 3.89 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 71 + HB2 LEU 74 OK 88 100 90 98 2.4-5.4 9789=59, 5087/3.0=27...(23) Violated in 0 structures by 0.00 A. Peak 5227 from cnoeabs.peaks (7.61, 1.20, 41.49 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.4-3.6 3.8=100 H GLU 69 - HB3 LEU 74 far 0 65 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5229 from cnoeabs.peaks (1.47, 1.20, 41.49 ppm; 4.59 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 74 + HB3 LEU 74 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HB3 LEU 74 OK 38 87 50 88 3.9-8.0 457/3.8=31, 5215/3.0=24...(16) HG LEU 4 - HB3 LEU 74 far 0 77 0 - 6.1-9.9 HG2 LYS 49 - HB3 LEU 74 far 0 96 0 - 8.3-15.7 HG3 LYS 49 - HB3 LEU 74 far 0 96 0 - 9.9-16.0 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * HG LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 71 + HB3 LEU 74 OK 82 92 90 99 5.8-7.7 3.9/9772=68, ~9789=53...(14) HD2 LYS 73 + HB3 LEU 74 OK 40 61 70 92 4.3-8.4 3.0/5229=26, 5217/3.0=23...(17) HD2 LYS 44 - HB3 LEU 74 far 0 100 0 - 9.4-15.0 Violated in 0 structures by 0.00 A. Peak 5232 from cnoeabs.peaks (0.82, 1.20, 41.49 ppm; 4.24 A): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.2-3.2 3.1=100 QG2 ILE 71 + HB3 LEU 74 OK 99 100 100 99 3.0-4.8 9789/1.8=55, 3.2/9772=35...(19) Violated in 0 structures by 0.00 A. Peak 5233 from cnoeabs.peaks (0.82, 1.20, 41.49 ppm; 4.24 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 71 + HB3 LEU 74 OK 98 100 100 99 3.0-4.8 9789/1.8=55, 3.2/9772=35...(19) Violated in 0 structures by 0.00 A. Peak 5234 from cnoeabs.peaks (7.61, 1.70, 26.27 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + HG LEU 74 OK 100 100 100 100 2.1-4.2 5248/2.1=75, 5241/2.1=69...(16) H GLU 69 - HG LEU 74 far 0 65 0 - 8.3-10.7 Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.6-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 5236 from cnoeabs.peaks (1.47, 1.70, 26.27 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 74 + HG LEU 74 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 73 + HG LEU 74 OK 44 87 65 79 1.9-8.1 5250/2.1=24, 457/5234=23...(16) HG LEU 4 - HG LEU 74 far 0 77 0 - 7.1-10.8 HG2 LYS 49 - HG LEU 74 far 0 96 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 74 + HG LEU 74 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 74 + HG LEU 74 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 71 + HG LEU 74 OK 50 100 55 91 3.6-5.4 9789/3.0=25, 5087=23...(22) Violated in 0 structures by 0.00 A. Peak 5240 from cnoeabs.peaks (0.82, 1.70, 26.27 ppm; 3.21 A): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 74 + HG LEU 74 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 74 + HG LEU 74 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 71 + HG LEU 74 OK 50 100 55 91 3.6-5.4 9789/3.0=25, 5087=23...(22) Violated in 0 structures by 0.00 A. Peak 5241 from cnoeabs.peaks (7.61, 0.82, 25.82 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + QD1 LEU 74 OK 100 100 100 100 2.4-4.3 5248/2.1=80, 5234/2.1=75...(14) H GLU 69 - QD1 LEU 74 far 0 65 0 - 6.6-10.4 Violated in 2 structures by 0.00 A. 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 100 100 100 100 2.3-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 5243 from cnoeabs.peaks (1.47, 0.82, 25.82 ppm; 3.85 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 74 + QD1 LEU 74 OK 100 100 100 100 2.0-3.2 3.1=100 HG3 LYS 73 + QD1 LEU 74 OK 37 87 55 77 1.9-7.2 5250/2.1=22, 457/5241=20...(15) HG LEU 4 - QD1 LEU 74 far 12 77 15 - 5.0-9.6 HG2 LYS 49 - QD1 LEU 74 far 0 96 0 - 7.0-12.2 HG3 LYS 49 - QD1 LEU 74 far 0 96 0 - 8.3-13.3 HB3 LEU 38 - QD1 LEU 74 far 0 99 0 - 8.5-12.9 HB3 LEU 6 - QD1 LEU 74 far 0 96 0 - 9.0-13.5 HG2 LYS 39 - QD1 LEU 74 far 0 94 0 - 9.1-13.4 HG3 ARG 30 - QD1 LEU 74 far 0 81 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 5245 from cnoeabs.peaks (1.70, 0.82, 25.82 ppm; 3.39 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 74 + QD1 LEU 74 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 71 + QD1 LEU 74 OK 23 92 30 85 3.4-8.1 3.9/9819=31, 1.8/5100=20...(18) HD2 LYS 73 - QD1 LEU 74 poor 13 61 35 62 1.9-7.7 5252/2.1=13, 3.0/5243=12...(16) HD2 LYS 44 - QD1 LEU 74 far 0 100 0 - 6.0-11.4 HD3 LYS 44 - QD1 LEU 74 far 0 100 0 - 6.7-11.4 HB ILE 56 - QD1 LEU 74 far 0 77 0 - 7.4-12.4 HD2 LYS 39 - QD1 LEU 74 far 0 100 0 - 8.2-13.9 HD3 LYS 39 - QD1 LEU 74 far 0 100 0 - 9.1-14.2 HG3 LYS 39 - QD1 LEU 74 far 0 99 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + QD2 LEU 74 OK 100 100 100 100 2.4-4.0 2.9/5249=79, 5234/2.1=67...(14) H GLU 69 - QD2 LEU 74 far 0 65 0 - 7.9-10.3 Violated in 2 structures by 0.00 A. Peak 5249 from cnoeabs.peaks (4.23, 0.82, 21.88 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.89: * HA LEU 74 + QD2 LEU 74 OK 89 100 100 89 2.0-2.6 5219=43, 2.9/5248=31...(15) Violated in 0 structures by 0.00 A. Peak 5250 from cnoeabs.peaks (1.47, 0.82, 21.88 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 74 + QD2 LEU 74 OK 100 100 100 100 2.1-3.2 3.1=100 HG3 LYS 73 + QD2 LEU 74 OK 41 87 65 73 1.8-6.3 457/5248=18, 5236/2.1=17...(15) HG LEU 4 - QD2 LEU 74 far 0 77 0 - 6.2-10.2 HG2 LYS 49 - QD2 LEU 74 far 0 96 0 - 6.4-12.7 HG3 LYS 49 - QD2 LEU 74 far 0 96 0 - 7.4-12.0 HB3 LEU 38 - QD2 LEU 74 far 0 99 0 - 9.7-12.7 HG2 LYS 39 - QD2 LEU 74 far 0 94 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 5252 from cnoeabs.peaks (1.70, 0.82, 21.88 ppm; 3.16 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 74 + QD2 LEU 74 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 73 + QD2 LEU 74 OK 22 61 65 56 2.1-7.4 3.0/5250=13, 5093=8...(15) HG12 ILE 71 - QD2 LEU 74 far 0 92 0 - 5.3-8.1 HD2 LYS 44 - QD2 LEU 74 far 0 100 0 - 7.3-11.9 HD3 LYS 44 - QD2 LEU 74 far 0 100 0 - 7.4-11.7 HD2 LYS 39 - QD2 LEU 74 far 0 100 0 - 8.0-14.7 HD3 LYS 39 - QD2 LEU 74 far 0 100 0 - 8.8-14.1 HB ILE 56 - QD2 LEU 74 far 0 77 0 - 9.4-12.6 HG3 LYS 39 - QD2 LEU 74 far 0 99 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA3 GLY 75 + HA2 GLY 75 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 101 - HA2 GLY 75 far 0 100 0 - 7.2-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 5270 from cnoeabs.peaks (4.78, 2.66, 37.96 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.5-3.0 3.0=100 HA PHE 51 - HB2 TYR 76 far 0 57 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.8 2.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 5278 from cnoeabs.peaks (4.78, 2.85, 37.96 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 51 - HB3 TYR 76 far 0 57 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 5279 from cnoeabs.peaks (2.66, 2.85, 37.96 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + HB3 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 84 - HB2 ASN 88 far 0 81 0 - 8.4-11.2 HG2 MET 42 - HB3 TYR 76 far 0 96 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.8 2.5=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.90: * QD TYR 76 + QE TYR 76 OK 90 90 100 100 2.2-2.2 2.2=100 QD TYR 76 - QE TYR 102 far 0 59 0 - 6.6-8.8 Violated in 0 structures by 0.00 A. 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 97 100 100 2.7-3.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 5302 from cnoeabs.peaks (4.78, 6.86, 132.15 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.97: * HA TYR 76 + QD TYR 76 OK 97 97 100 100 1.9-2.1 3.7=100 HA PHE 51 - QD TYR 76 far 3 52 5 - 6.4-8.4 Violated in 0 structures by 0.00 A. Peak 5303 from cnoeabs.peaks (2.66, 6.86, 132.15 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.97: * HB2 TYR 76 + QD TYR 76 OK 97 97 100 100 2.4-2.8 2.5=100 HG2 MET 42 - QD TYR 76 far 0 90 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. 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 97 100 100 2.4-2.8 2.5=100 Violated in 0 structures by 0.00 A. Peak 5307 from cnoeabs.peaks (6.71, 6.86, 132.15 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.97: * QE TYR 76 + QD TYR 76 OK 97 97 100 100 2.2-2.2 2.2=100 QE TYR 102 - QD TYR 76 far 0 97 0 - 6.6-8.8 QD PHE 79 - QD TYR 76 far 0 95 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 LYS 77 + HA LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 77 + HA LYS 77 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 127 - HA LYS 77 far 0 77 0 - 6.9-8.1 HD2 LYS 123 - HA LYS 77 far 0 100 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 5312 from cnoeabs.peaks (1.84, 4.55, 55.07 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 77 + HA LYS 77 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 77 + HA LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 HG LEU 127 - HA LYS 77 far 0 70 0 - 6.9-8.1 HD2 LYS 123 - HA LYS 77 far 0 100 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.9 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 5315 from cnoeabs.peaks (1.62, 4.55, 55.07 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.99: * HD2 LYS 77 + HA LYS 77 OK 88 100 100 88 2.1-4.4 5360=44, 1.8/5370=34...(9) HD3 LYS 77 + HA LYS 77 OK 88 100 100 88 2.1-4.4 5370=44, 1.8/5360=34...(9) HB3 LEU 127 - HA LYS 77 far 0 90 0 - 6.2-8.5 Violated in 0 structures by 0.00 A. Peak 5316 from cnoeabs.peaks (1.62, 4.55, 55.07 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.99: HD2 LYS 77 + HA LYS 77 OK 88 100 100 88 2.1-4.4 5360=44, 1.8/5370=34...(9) * HD3 LYS 77 + HA LYS 77 OK 88 100 100 88 2.1-4.4 5370=44, 1.8/5360=34...(9) HB3 LEU 127 - HA LYS 77 far 0 92 0 - 6.2-8.5 Violated in 0 structures by 0.00 A. Peak 5319 from cnoeabs.peaks (8.29, 1.84, 32.22 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.2-3.2 4.0=100 H LYS 77 + HB3 LYS 77 OK 100 100 100 100 2.2-2.9 4.0=100 H GLU 13 - HB3 LYS 19 far 0 80 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 5320 from cnoeabs.peaks (4.55, 1.84, 32.22 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 77 + HB3 LYS 77 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 79 - HB3 LYS 77 far 0 61 0 - 6.9-8.1 HA PHE 79 - HB2 LYS 77 far 0 61 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.6 3.0=100 HG2 LYS 77 + HB3 LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 77 + HB3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5325 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: * HD2 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.3-3.8 3.6=68, 5315/3.0=20...(10) HD3 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.1-4.2 3.6=68, 5315/3.0=20...(10) HD2 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.2-4.2 3.6=68, 5315/3.0=20...(10) HD3 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.3-3.9 3.6=68, 5315/3.0=20...(10) HB3 LEU 127 - HB2 LYS 77 far 9 90 10 - 3.9-5.9 HB3 LEU 127 - HB3 LYS 77 far 9 89 10 - 3.9-6.0 HG2 LYS 16 - HB3 LYS 19 far 0 79 0 - 5.3-6.7 Violated in 0 structures by 0.00 A. Peak 5326 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.3-3.8 3.6=68, 5316/3.0=20...(10) * HD3 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.1-4.2 3.6=68, 5316/3.0=20...(10) HD2 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.2-4.2 3.6=68, 5316/3.0=20...(10) HD3 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.3-3.9 3.6=68, 5316/3.0=20...(10) HB3 LEU 127 - HB2 LYS 77 far 9 92 10 - 3.9-5.9 HB3 LEU 127 - HB3 LYS 77 far 9 91 10 - 3.9-6.0 HG2 LYS 16 - HB3 LYS 19 far 0 79 0 - 5.3-6.7 Violated in 0 structures by 0.00 A. Peak 5329 from cnoeabs.peaks (8.29, 1.84, 32.22 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 77 + HB3 LYS 77 OK 100 100 100 100 2.2-2.9 4.0=100 H LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.2-3.2 4.0=100 H GLU 13 - HB3 LYS 19 far 0 87 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 5330 from cnoeabs.peaks (4.55, 1.84, 32.22 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 77 + HB3 LYS 77 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 HA PHE 79 - HB3 LYS 77 far 0 61 0 - 6.9-8.1 HA PHE 79 - HB2 LYS 77 far 0 61 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 HG2 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.2-2.6 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5335 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: * HD2 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.2-4.2 3.6=68, 5315/3.0=20...(10) HD3 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.3-3.9 3.6=68, 5315/3.0=20...(10) HD2 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.3-3.8 3.6=68, 5315/3.0=20...(10) HD3 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.1-4.2 3.6=68, 5315/3.0=20...(10) HB3 LEU 127 - HB3 LYS 77 far 9 90 10 - 3.9-6.0 HB3 LEU 127 - HB2 LYS 77 far 9 89 10 - 3.9-5.9 HG2 LYS 16 - HB3 LYS 19 far 0 86 0 - 5.3-6.7 Violated in 0 structures by 0.00 A. Peak 5336 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.2-4.2 3.6=68, 5316/3.0=20...(10) * HD3 LYS 77 + HB3 LYS 77 OK 88 100 100 88 2.3-3.9 3.6=68, 5316/3.0=20...(10) HD2 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.3-3.8 3.6=68, 5316/3.0=20...(10) HD3 LYS 77 + HB2 LYS 77 OK 88 100 100 88 2.1-4.2 3.6=68, 5316/3.0=20...(10) HB3 LEU 127 - HB3 LYS 77 far 9 92 10 - 3.9-6.0 HB3 LEU 127 - HB2 LYS 77 far 9 91 10 - 3.9-5.9 HG2 LYS 16 - HB3 LYS 19 far 0 85 0 - 5.3-6.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.8 5.0=100 Violated in 0 structures by 0.00 A. Peak 5340 from cnoeabs.peaks (4.55, 1.35, 24.49 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 77 + HG2 LYS 77 OK 100 100 100 100 3.4-3.9 4.0=100 HA PHE 79 + HG2 LYS 77 OK 33 61 65 82 6.8-7.7 5.6/9852=51, 7.2/9853=33...(6) HA ASN 88 - HG2 LYS 94 far 0 30 0 - 7.7-11.0 Violated in 0 structures by 0.00 A. Peak 5341 from cnoeabs.peaks (1.84, 1.35, 24.49 ppm; 3.47 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 HG LEU 127 + HG2 LYS 77 OK 62 77 90 89 3.4-5.8 2.1/11287=43...(15) HB2 ARG 105 - HG2 LYS 94 far 0 28 0 - 6.3-10.2 HD2 LYS 123 - HG2 LYS 77 far 0 100 0 - 6.5-8.7 QE MET 121 - HG2 LYS 77 far 0 84 0 - 8.4-12.8 Violated in 0 structures by 0.00 A. Peak 5342 from cnoeabs.peaks (1.84, 1.35, 24.49 ppm; 3.47 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 127 + HG2 LYS 77 OK 56 70 90 89 3.4-5.8 2.1/11287=43...(15) HB2 ARG 105 - HG2 LYS 94 far 0 25 0 - 6.3-10.2 HD2 LYS 123 - HG2 LYS 77 far 0 100 0 - 6.5-8.7 QE MET 121 - HG2 LYS 77 far 0 90 0 - 8.4-12.8 Violated in 0 structures by 0.00 A. Peak 5343 from cnoeabs.peaks (1.35, 1.35, 24.49 ppm; diagonal): 2 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5345 from cnoeabs.peaks (1.62, 1.35, 24.49 ppm; 3.08 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HG2 LYS 77 far 13 90 15 - 3.2-6.1 HB2 LEU 82 - HG2 LYS 94 poor 8 41 20 - 3.9-9.8 HG LEU 90 - HG2 LYS 94 far 4 26 15 - 2.8-9.5 HG LEU 64 - HG2 LYS 94 far 0 21 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 5346 from cnoeabs.peaks (1.62, 1.35, 24.49 ppm; 3.08 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HG2 LYS 77 far 14 92 15 - 3.2-6.1 HB2 LEU 82 - HG2 LYS 94 poor 8 41 20 - 3.9-9.8 HG LEU 90 - HG2 LYS 94 far 4 25 15 - 2.8-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 5348 from cnoeabs.peaks (2.58, 1.35, 24.49 ppm; 5.48 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.1-3.7 3.7=100 HB2 ASP 84 - HG2 LYS 94 far 5 31 15 - 6.1-11.3 HB3 ASP 86 - HG2 LYS 94 far 0 34 0 - 8.7-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.4 5.0=100 Violated in 0 structures by 0.00 A. Peak 5350 from cnoeabs.peaks (4.55, 1.17, 24.49 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.2-3.5 4.0=100 HA PHE 79 + HG3 LYS 77 OK 26 61 70 61 5.3-6.8 5.6/9847=33, 7.2/9848=14...(6) Violated in 0 structures by 0.00 A. Peak 5351 from cnoeabs.peaks (1.84, 1.17, 24.49 ppm; 3.68 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 127 + HG3 LYS 77 OK 22 77 30 96 4.4-7.2 2.1/11289=47, ~11287=36...(17) HD2 LYS 123 - HG3 LYS 77 far 0 100 0 - 6.7-9.0 QE MET 121 - HG3 LYS 77 far 0 84 0 - 8.6-13.2 Violated in 0 structures by 0.00 A. Peak 5352 from cnoeabs.peaks (1.84, 1.17, 24.49 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 127 - HG3 LYS 77 poor 20 70 30 96 4.4-7.2 2.1/11289=47, ~11287=36...(17) HD2 LYS 123 - HG3 LYS 77 far 0 100 0 - 6.7-9.0 QE MET 121 - HG3 LYS 77 far 0 90 0 - 8.6-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD2 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HG3 LYS 77 far 4 90 5 - 4.9-7.7 Violated in 0 structures by 0.00 A. Peak 5356 from cnoeabs.peaks (1.62, 1.17, 24.49 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HG3 LYS 77 far 5 92 5 - 4.9-7.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 5360 from cnoeabs.peaks (4.55, 1.62, 28.20 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.99: * HA LYS 77 + HD2 LYS 77 OK 89 100 100 89 2.1-4.4 5315=47, 5316/1.8=36...(9) HA LYS 77 + HD3 LYS 77 OK 88 100 100 88 2.1-4.4 5315=47, 5315/1.8=36...(9) HA PHE 79 - HD3 LYS 77 poor 15 61 75 33 4.2-7.2 3.7/9851=10, 5350/3.0=8...(5) HA PHE 79 - HD2 LYS 77 poor 7 61 35 33 4.5-6.6 3.7/9851=10, 5350/3.0=8...(5) Violated in 0 structures by 0.00 A. Peak 5361 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 5 out of 10 assignments used, quality = 1.00: * HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.8 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-4.2 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.2-4.2 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HG LEU 127 + HD2 LYS 77 OK 38 77 50 99 3.9-6.8 2.1/11286=30, ~11287=30...(20) HG LEU 127 - HD3 LYS 77 far 12 77 15 - 4.3-6.9 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 5.6-8.2 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 5.6-8.5 QE MET 121 - HD2 LYS 77 far 0 84 0 - 9.1-12.5 QE MET 121 - HD3 LYS 77 far 0 84 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 5362 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 5 out of 10 assignments used, quality = 1.00: * HB3 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.2-4.2 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.8 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-4.2 3.6=100 HG LEU 127 + HD2 LYS 77 OK 34 70 50 99 3.9-6.8 2.1/11286=30, ~11287=30...(20) HG LEU 127 - HD3 LYS 77 far 10 69 15 - 4.3-6.9 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 5.6-8.2 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 5.6-8.5 QE MET 121 - HD2 LYS 77 far 0 90 0 - 9.1-12.5 QE MET 121 - HD3 LYS 77 far 0 89 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5370 from cnoeabs.peaks (4.55, 1.62, 28.20 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 77 + HD2 LYS 77 OK 89 100 100 89 2.1-4.4 5316=47, 5316/1.8=36...(9) * HA LYS 77 + HD3 LYS 77 OK 88 100 100 88 2.1-4.4 5316=47, 5315/1.8=36...(9) HA PHE 79 - HD3 LYS 77 poor 15 61 75 33 4.2-7.2 3.7/9851=10, 5350/3.0=8...(5) HA PHE 79 - HD2 LYS 77 poor 7 61 35 33 4.5-6.6 3.7/9851=10, 5350/3.0=8...(5) Violated in 0 structures by 0.00 A. Peak 5371 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 5 out of 10 assignments used, quality = 1.00: * HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-4.2 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.8 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.2-4.2 3.6=100 HG LEU 127 + HD2 LYS 77 OK 38 77 50 99 3.9-6.8 2.1/11286=30, ~11287=30...(20) HG LEU 127 - HD3 LYS 77 far 12 77 15 - 4.3-6.9 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 5.6-8.2 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 5.6-8.5 QE MET 121 - HD2 LYS 77 far 0 84 0 - 9.1-12.5 QE MET 121 - HD3 LYS 77 far 0 84 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 5372 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 5 out of 10 assignments used, quality = 1.00: * HB3 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.2-4.2 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-4.2 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.8 3.6=100 HG LEU 127 + HD2 LYS 77 OK 34 69 50 99 3.9-6.8 2.1/11286=30, ~11287=30...(20) HG LEU 127 - HD3 LYS 77 far 10 70 15 - 4.3-6.9 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 5.6-8.2 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 5.6-8.5 QE MET 121 - HD2 LYS 77 far 0 89 0 - 9.1-12.5 QE MET 121 - HD3 LYS 77 far 0 90 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5380 from cnoeabs.peaks (4.55, 2.83, 41.93 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 77 + HE2 LYS 77 OK 100 100 100 100 3.7-5.8 6.0=100 HA PHE 79 + HE2 LYS 77 OK 55 61 100 89 4.4-7.4 5.6/10808=64...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.9 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 5385 from cnoeabs.peaks (1.62, 2.83, 41.93 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 77 + HE2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 77 + HE2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HE2 LYS 77 far 0 90 0 - 5.4-8.3 Violated in 0 structures by 0.00 A. Peak 5386 from cnoeabs.peaks (1.62, 2.83, 41.93 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 77 + HE2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 77 + HE2 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HE2 LYS 77 far 0 92 0 - 5.4-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5391 from cnoeabs.peaks (1.84, 2.58, 41.93 ppm; 5.21 A): 4 out of 5 assignments used, quality = 1.00: * HB2 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.1-5.4 4.7=100 HB3 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.3-5.5 4.7=100 HG LEU 127 + HE3 LYS 77 OK 77 77 100 100 2.9-6.0 2.1/11282=74...(13) HD2 LYS 123 + HE3 LYS 77 OK 50 100 70 71 4.4-8.1 11210/10810=53, 11211/10811=38 QE MET 121 - HE3 LYS 77 far 0 84 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 5392 from cnoeabs.peaks (1.84, 2.58, 41.93 ppm; 5.21 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.3-5.5 4.7=100 HB2 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.1-5.4 4.7=100 HG LEU 127 + HE3 LYS 77 OK 69 70 100 100 2.9-6.0 2.1/11282=74...(13) HD2 LYS 123 + HE3 LYS 77 OK 50 100 70 71 4.4-8.1 11210/10810=53, 11211/10811=38 QE MET 121 - HE3 LYS 77 far 0 90 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 5395 from cnoeabs.peaks (1.62, 2.58, 41.93 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HE3 LYS 77 far 13 90 15 - 4.4-7.5 Violated in 0 structures by 0.00 A. Peak 5396 from cnoeabs.peaks (1.62, 2.58, 41.93 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 127 - HE3 LYS 77 far 14 92 15 - 4.4-7.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB VAL 78 + HA VAL 78 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 3 - HA VAL 78 far 0 99 0 - 6.1-7.4 HG LEU 55 - HA VAL 78 far 0 94 0 - 8.2-10.6 HG2 LYS 123 - HA VAL 78 far 0 65 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 5402 from cnoeabs.peaks (0.72, 5.17, 60.23 ppm; 3.84 A): 1 out of 10 assignments used, quality = 1.00: * QG2 VAL 78 + HA VAL 78 OK 100 100 100 100 2.1-2.4 3.2=100 QD2 LEU 6 - HA VAL 78 far 5 92 5 - 5.3-6.5 QD2 LEU 55 - HA VAL 78 far 0 89 0 - 6.6-10.2 QD1 LEU 6 - HA VAL 78 far 0 92 0 - 7.1-7.6 QG1 VAL 117 - HA VAL 78 far 0 99 0 - 7.4-8.5 QD2 LEU 45 - HA VAL 78 far 0 100 0 - 9.0-10.8 QD2 LEU 81 - HA VAL 78 far 0 61 0 - 9.5-10.3 QG2 ILE 7 - HA VAL 78 far 0 61 0 - 9.5-10.3 QD1 ILE 57 - HA VAL 78 far 0 65 0 - 9.5-12.4 QG2 ILE 18 - HA VAL 78 far 0 97 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 5403 from cnoeabs.peaks (0.61, 5.17, 60.23 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 78 + HA VAL 78 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 ILE 5 + HA VAL 78 OK 55 94 80 74 3.0-6.1 494/491=27, 9055/4634=24...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 5405 from cnoeabs.peaks (5.17, 1.56, 34.35 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 78 + HB VAL 78 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 7 - HB VAL 78 far 0 81 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 78 + HB VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 6 + HB VAL 78 OK 46 92 65 78 3.7-5.7 ~11567=31, 5417/2.1=26...(13) QD1 LEU 6 - HB VAL 78 far 0 92 0 - 6.1-6.9 QD2 LEU 55 - HB VAL 78 far 0 90 0 - 7.7-11.5 QD2 LEU 45 - HB VAL 78 far 0 100 0 - 8.7-10.9 QG1 VAL 117 - HB VAL 78 far 0 99 0 - 9.0-9.9 QG2 ILE 7 - HB VAL 78 far 0 61 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 5408 from cnoeabs.peaks (0.61, 1.56, 34.35 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 78 + HB VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 5 - HB VAL 78 far 0 94 0 - 5.3-8.3 Violated in 0 structures by 0.00 A. Peak 5409 from cnoeabs.peaks (7.83, 0.72, 22.14 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + QG2 VAL 78 OK 100 100 100 100 2.6-3.1 1517=100, 1516/2.1=70...(6) Violated in 0 structures by 0.00 A. Peak 5410 from cnoeabs.peaks (5.17, 0.72, 22.14 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 78 + QG2 VAL 78 OK 100 100 100 100 2.1-2.4 3.2=100 HA ILE 7 - QG2 VAL 78 far 0 81 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 5411 from cnoeabs.peaks (1.56, 0.72, 22.14 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 78 + QG2 VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 3 - QG2 VAL 78 far 0 99 0 - 5.5-7.0 HB3 LEU 70 - QG2 VAL 78 far 0 84 0 - 6.6-8.1 HG LEU 55 - QG2 VAL 78 far 0 94 0 - 6.7-9.1 QB ALA 46 - QG2 VAL 78 far 0 97 0 - 8.0-9.4 HG2 LYS 123 - QG2 VAL 78 far 0 65 0 - 9.5-10.7 HG2 LYS 65 - QG2 VAL 78 far 0 96 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 78 + QG2 VAL 78 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 5 + QG2 VAL 78 OK 28 94 55 54 3.6-6.2 494/493=11, 5403/3.2=11...(15) QD1 ILE 18 - QG2 VAL 78 far 0 100 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 5414 from cnoeabs.peaks (7.83, 0.61, 21.11 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 78 + QG1 VAL 78 OK 100 100 100 100 3.7-3.9 4.0=100 H ILE 97 - QG1 VAL 78 far 0 100 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 5415 from cnoeabs.peaks (5.17, 0.61, 21.11 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 78 + QG1 VAL 78 OK 100 100 100 100 2.3-2.5 3.2=100 HA ILE 7 - QG1 VAL 78 far 0 81 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 5416 from cnoeabs.peaks (1.56, 0.61, 21.11 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 78 + QG1 VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 55 - QG1 VAL 78 far 0 94 0 - 6.1-8.1 HB3 LEU 70 - QG1 VAL 78 far 0 84 0 - 7.3-8.9 HG12 ILE 3 - QG1 VAL 78 far 0 99 0 - 7.4-8.4 HG2 LYS 65 - QG1 VAL 78 far 0 96 0 - 9.0-9.9 HG2 LYS 123 - QG1 VAL 78 far 0 65 0 - 9.2-10.1 QB ALA 46 - QG1 VAL 78 far 0 97 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 5417 from cnoeabs.peaks (0.72, 0.61, 21.11 ppm; 2.68 A): 3 out of 12 assignments used, quality = 1.00: * QG2 VAL 78 + QG1 VAL 78 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 6 + QG1 VAL 78 OK 66 92 100 72 2.1-3.3 2.1/11567=29...(11) QD1 LEU 6 + QG1 VAL 78 OK 39 92 60 71 3.9-4.4 2.1/11567=29...(12) QD2 LEU 55 - QG1 VAL 78 far 0 90 0 - 4.7-8.0 QG1 VAL 117 - QG1 VAL 78 far 0 99 0 - 5.9-6.8 QG2 ILE 7 - QG1 VAL 78 far 0 61 0 - 6.6-7.3 QD2 LEU 81 - QG1 VAL 78 far 0 61 0 - 7.1-7.8 QD1 ILE 57 - QG1 VAL 78 far 0 65 0 - 7.1-9.2 QD2 LEU 45 - QG1 VAL 78 far 0 100 0 - 7.3-8.7 QG2 ILE 18 - QG1 VAL 78 far 0 97 0 - 7.6-8.6 QD2 LEU 63 - QG1 VAL 78 far 0 73 0 - 9.0-9.8 QD1 LEU 63 - QG1 VAL 78 far 0 73 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5422 from cnoeabs.peaks (2.08, 4.57, 55.95 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 79 + HA PHE 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 103 + HA PHE 79 OK 75 87 100 86 3.0-5.5 11014=43, 4.0/10687=43...(6) Violated in 0 structures by 0.00 A. Peak 5426 from cnoeabs.peaks (6.72, 4.57, 55.95 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 79 + HA PHE 79 OK 100 100 100 100 3.1-3.2 3.7=100 QE TYR 102 - HA PHE 79 far 0 99 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 5428 from cnoeabs.peaks (4.57, 1.04, 40.18 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 79 + HB2 PHE 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 77 - HB2 PHE 79 far 0 61 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 79 + HB2 PHE 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 103 + HB2 PHE 79 OK 27 87 35 89 3.5-8.1 11014/3.0=43...(7) HB3 MET 121 - HB2 PHE 79 far 0 100 0 - 7.4-9.1 HG2 GLU 119 - HB2 PHE 79 far 0 100 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 5434 from cnoeabs.peaks (6.72, 1.04, 40.18 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 79 + HB2 PHE 79 OK 100 100 100 100 2.3-2.6 2.4=100 QE TYR 102 - HB2 PHE 79 far 0 99 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 5436 from cnoeabs.peaks (4.57, 2.08, 40.18 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 79 + HB3 PHE 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 77 - HB3 PHE 79 far 0 61 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD PHE 79 + HB3 PHE 79 OK 100 100 100 100 2.3-2.6 2.4=100 QE TYR 102 - HB3 PHE 79 far 0 99 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.98: * QD PHE 79 + QE PHE 79 OK 98 98 100 100 2.2-2.2 2.2=100 QE TYR 102 - QE PHE 79 far 0 97 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 5460 from cnoeabs.peaks (4.57, 6.72, 131.81 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 79 + QD PHE 79 OK 100 100 100 100 3.1-3.2 3.7=100 HA LYS 77 + QD PHE 79 OK 57 61 100 93 5.7-6.3 4.9/4634=78, ~4652=27...(7) Violated in 0 structures by 0.00 A. Peak 5461 from cnoeabs.peaks (1.04, 6.72, 131.81 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 79 + QD PHE 79 OK 100 100 100 100 2.3-2.6 2.4=100 HG3 LYS 2 - QD PHE 79 far 0 97 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 5462 from cnoeabs.peaks (2.08, 6.72, 131.81 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 79 + QD PHE 79 OK 100 100 100 100 2.3-2.6 2.4=100 HB2 GLU 103 + QD PHE 79 OK 86 87 100 99 2.6-5.8 10206=73, 1.8/10212=68...(8) HB3 MET 121 - QD PHE 79 far 0 100 0 - 7.0-7.7 HG2 GLU 119 - QD PHE 79 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LEU 80 + HA LEU 80 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 82 - HA LEU 80 far 0 70 0 - 6.2-8.3 HB2 LEU 68 - HA LEU 80 far 0 98 0 - 7.0-8.6 HG3 ARG 105 - HA LEU 80 far 0 100 0 - 7.8-10.3 HB3 LYS 94 - HA LEU 80 far 0 65 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5471 from cnoeabs.peaks (1.44, 5.55, 54.00 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 80 + HA LEU 80 OK 99 100 100 99 2.5-3.8 4.3=81, 2.1/5503=76...(10) HB3 LEU 6 + HA LEU 80 OK 67 70 100 96 2.3-3.1 3.9/9065=48, 3.1/9067=47...(13) HG12 ILE 7 - HA LEU 80 poor 20 65 30 - 4.8-7.1 HB3 LEU 4 - HA LEU 80 far 0 99 0 - 8.3-9.9 HG2 LYS 106 - HA LEU 80 far 0 61 0 - 8.4-12.6 HB2 LEU 4 - HA LEU 80 far 0 99 0 - 8.5-9.7 HG12 ILE 56 - HA LEU 80 far 0 81 0 - 9.2-10.4 HG12 ILE 57 - HA LEU 80 far 0 61 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 5472 from cnoeabs.peaks (0.78, 5.55, 54.00 ppm; 3.46 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 80 + HA LEU 80 OK 98 100 100 98 1.8-4.0 3.9=69, 2.1/5503=60...(11) QD1 LEU 80 + HA LEU 80 OK 97 100 100 97 2.0-3.5 5503=79, 7715/504=46...(11) QD1 ILE 7 - HA LEU 80 poor 17 94 45 40 3.7-6.0 9087/504=32...(4) QD2 LEU 64 - HA LEU 80 lone 12 97 80 15 3.8-7.2 5486/3.0=5...(4) QD1 LEU 82 - HA LEU 80 far 5 100 5 - 4.0-6.6 QD1 LEU 81 - HA LEU 80 far 0 84 0 - 5.6-6.0 QG1 VAL 107 - HA LEU 80 far 0 84 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 5473 from cnoeabs.peaks (0.78, 5.55, 54.00 ppm; 3.46 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 80 + HA LEU 80 OK 98 100 100 98 1.8-4.0 3.9=69, 2.1/5503=60...(11) * QD1 LEU 80 + HA LEU 80 OK 97 100 100 97 2.0-3.5 5503=79, 7715/504=46...(11) QD1 ILE 7 - HA LEU 80 poor 17 96 45 41 3.7-6.0 9087/504=33...(4) QD2 LEU 64 - HA LEU 80 lone 12 96 80 16 3.8-7.2 5486/3.0=5...(4) QD1 LEU 82 - HA LEU 80 far 5 100 5 - 4.0-6.6 QD1 LEU 81 - HA LEU 80 far 0 81 0 - 5.6-6.0 QG1 VAL 107 - HA LEU 80 far 0 87 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 5474 from cnoeabs.peaks (8.60, 1.75, 45.67 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.4-2.9 3.8=100 H LYS 94 - HB2 LEU 80 far 0 99 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5478 from cnoeabs.peaks (1.44, 1.75, 45.67 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 6 + HB2 LEU 80 OK 43 70 75 83 4.0-5.8 5485/1.8=25, 5471/3.0=22...(10) HG2 LYS 106 - HB2 LEU 80 far 0 61 0 - 7.0-11.2 HG12 ILE 7 - HB2 LEU 80 far 0 65 0 - 7.3-9.8 HB3 LEU 4 - HB2 LEU 80 far 0 99 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 5479 from cnoeabs.peaks (0.78, 1.75, 45.67 ppm; 3.35 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 80 + HB2 LEU 80 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 82 + HB2 LEU 80 OK 40 100 50 80 3.7-5.6 ~11395=23, 5493/3.0=14...(19) QD2 LEU 64 - HB2 LEU 80 far 10 97 10 - 4.7-7.5 QD1 ILE 7 - HB2 LEU 80 far 0 94 0 - 5.8-8.2 QD1 LEU 81 - HB2 LEU 80 far 0 84 0 - 6.1-7.2 QG1 VAL 107 - HB2 LEU 80 far 0 84 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 5480 from cnoeabs.peaks (0.78, 1.75, 45.67 ppm; 3.35 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 80 + HB2 LEU 80 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 82 + HB2 LEU 80 OK 40 100 50 80 3.7-5.6 ~11395=23, 5493/3.0=14...(19) QD2 LEU 64 - HB2 LEU 80 far 10 96 10 - 4.7-7.5 QD1 ILE 7 - HB2 LEU 80 far 0 96 0 - 5.8-8.2 QD1 LEU 81 - HB2 LEU 80 far 0 81 0 - 6.1-7.2 QG1 VAL 107 - HB2 LEU 80 far 0 87 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 5481 from cnoeabs.peaks (8.60, 1.29, 45.67 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.7-3.5 3.8=100 H LYS 94 - HB3 LEU 80 far 0 99 0 - 7.9-10.7 H ILE 71 - HB3 LEU 80 far 0 100 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5483 from cnoeabs.peaks (1.75, 1.29, 45.67 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 80 + HB3 LEU 80 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 68 - HB3 LEU 80 far 0 98 0 - 5.9-9.2 HB3 LEU 82 - HB3 LEU 80 far 0 70 0 - 6.2-8.5 HG3 ARG 105 - HB3 LEU 80 far 0 100 0 - 6.5-10.3 HB3 LYS 94 - HB3 LEU 80 far 0 65 0 - 6.7-11.0 Violated in 0 structures by 0.00 A. 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): 2 out of 6 assignments used, quality = 1.00: * HG LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 6 + HB3 LEU 80 OK 53 70 90 84 3.3-5.7 5478/1.8=23, 5471/3.0=22...(11) HG2 LYS 106 - HB3 LEU 80 far 0 61 0 - 6.8-12.7 HG12 ILE 7 - HB3 LEU 80 far 0 65 0 - 7.2-9.6 HB2 LEU 4 - HB3 LEU 80 far 0 99 0 - 9.1-11.9 HB3 LEU 4 - HB3 LEU 80 far 0 99 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 5486 from cnoeabs.peaks (0.78, 1.29, 45.67 ppm; 3.41 A): 4 out of 7 assignments used, quality = 1.00: * QD2 LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 82 + HB3 LEU 80 OK 23 100 30 77 3.5-5.9 ~11395=24, 5493/3.0=14...(15) QD2 LEU 64 + HB3 LEU 80 OK 22 97 75 31 3.4-7.5 ~4778=6, 11270/9921=6...(8) QD1 ILE 7 - HB3 LEU 80 far 0 94 0 - 5.8-8.0 QD1 LEU 81 - HB3 LEU 80 far 0 84 0 - 6.1-7.4 QG1 VAL 107 - HB3 LEU 80 far 0 84 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 5487 from cnoeabs.peaks (0.78, 1.29, 45.67 ppm; 3.41 A): 4 out of 7 assignments used, quality = 1.00: * QD1 LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 82 + HB3 LEU 80 OK 23 100 30 77 3.5-5.9 ~11395=24, 5493/3.0=14...(15) QD2 LEU 64 + HB3 LEU 80 OK 22 96 75 31 3.4-7.5 ~4778=6, 11270/9921=6...(8) QD1 ILE 7 - HB3 LEU 80 far 0 96 0 - 5.8-8.0 QD1 LEU 81 - HB3 LEU 80 far 0 81 0 - 6.1-7.4 QG1 VAL 107 - HB3 LEU 80 far 0 87 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.8 4.3=100 Violated in 0 structures by 0.00 A. Peak 5490 from cnoeabs.peaks (1.75, 1.44, 28.31 ppm; 3.85 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 80 + HG LEU 80 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 82 - HG LEU 80 far 3 70 5 - 4.1-8.0 HB2 LEU 68 - HG LEU 80 far 0 98 0 - 5.6-8.8 HB3 LYS 94 - HG LEU 80 far 0 65 0 - 6.3-10.3 HB2 LEU 55 - HG LEU 4 far 0 68 0 - 6.6-9.9 HG3 ARG 105 - HG LEU 80 far 0 100 0 - 6.7-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 4 out of 12 assignments used, quality = 1.00: * QD2 LEU 80 + HG LEU 80 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 80 + HG LEU 80 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 82 + HG LEU 80 OK 75 100 95 79 1.8-5.0 2.1/11395=46...(14) QD2 LEU 64 + HG LEU 80 OK 25 97 80 32 3.3-5.7 ~4778=8, ~4785=7...(8) QD1 ILE 7 - HG LEU 80 far 0 94 0 - 4.9-8.9 QD1 LEU 81 - HG LEU 80 far 0 84 0 - 5.7-8.1 QG1 VAL 107 - HG LEU 80 far 0 84 0 - 6.6-10.5 QD1 ILE 7 - HG LEU 4 far 0 66 0 - 7.0-9.9 QG2 VAL 32 - HG LEU 4 far 0 57 0 - 8.3-11.1 QD2 LEU 80 - HG LEU 4 far 0 76 0 - 8.6-12.9 QD2 LEU 64 - HG LEU 4 far 0 70 0 - 8.7-12.2 QD1 LEU 80 - HG LEU 4 far 0 75 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 5494 from cnoeabs.peaks (0.78, 1.44, 28.31 ppm; 3.18 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 80 + HG LEU 80 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 80 + HG LEU 80 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 82 + HG LEU 80 OK 75 100 95 79 1.8-5.0 2.1/11395=46...(14) QD2 LEU 64 + HG LEU 80 OK 25 96 80 32 3.3-5.7 ~4778=8, ~4785=7...(7) QD1 ILE 7 - HG LEU 80 far 0 96 0 - 4.9-8.9 QD1 LEU 81 - HG LEU 80 far 0 81 0 - 5.7-8.1 QG1 VAL 107 - HG LEU 80 far 0 87 0 - 6.6-10.5 QD1 ILE 7 - HG LEU 4 far 0 68 0 - 7.0-9.9 QG2 VAL 32 - HG LEU 4 far 0 59 0 - 8.3-11.1 QD2 LEU 80 - HG LEU 4 far 0 75 0 - 8.6-12.9 QD2 LEU 64 - HG LEU 4 far 0 68 0 - 8.7-12.2 QD1 LEU 80 - HG LEU 4 far 0 76 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 5495 from cnoeabs.peaks (8.60, 0.78, 27.66 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 80 + QD2 LEU 80 OK 100 100 100 100 2.9-4.6 4.7=100 H LYS 94 + QD2 LEU 80 OK 81 99 85 97 5.1-9.0 4.4/9938=72...(10) H ILE 71 - QD2 LEU 80 far 5 100 5 - 7.1-11.0 H ALA 124 - QD2 LEU 80 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 5497 from cnoeabs.peaks (1.75, 0.78, 27.66 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 80 + QD2 LEU 80 OK 100 100 100 100 1.9-3.2 3.1=100 HB3 LEU 82 + QD2 LEU 80 OK 41 70 65 91 3.9-7.9 ~11395=27, 3.0/11093=22...(23) HB2 LEU 68 - QD2 LEU 80 far 15 98 15 - 4.3-7.3 HB3 LYS 94 - QD2 LEU 80 far 3 65 5 - 4.3-9.5 HG3 ARG 105 - QD2 LEU 80 far 0 100 0 - 5.9-9.7 HG12 ILE 18 - QD2 LEU 80 far 0 87 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 5499 from cnoeabs.peaks (1.44, 0.78, 27.66 ppm; 3.40 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 80 + QD2 LEU 80 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 6 + QD2 LEU 80 OK 20 70 40 72 1.9-5.9 5506/2.1=23, 5485/3.1=15...(11) HG2 LYS 106 - QD2 LEU 80 far 6 61 10 - 3.9-10.7 HG12 ILE 7 - QD2 LEU 80 far 0 65 0 - 5.2-9.4 HB3 LEU 4 - QD2 LEU 80 far 0 99 0 - 6.6-11.5 HG2 LYS 96 - QD2 LEU 80 far 0 100 0 - 6.9-9.8 HB2 LEU 4 - QD2 LEU 80 far 0 99 0 - 7.0-11.3 HB3 LYS 61 - QD2 LEU 80 far 0 94 0 - 7.2-9.5 HG12 ILE 56 - QD2 LEU 80 far 0 81 0 - 7.8-11.8 HB3 LEU 63 - QD2 LEU 80 far 0 77 0 - 8.0-11.0 HG12 ILE 57 - QD2 LEU 80 far 0 61 0 - 8.5-12.2 HG LEU 4 - QD2 LEU 80 far 0 92 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H LEU 80 + QD1 LEU 80 OK 100 100 100 100 3.6-4.7 4.7=92, 3.0/5503=78...(11) H LYS 94 - QD1 LEU 80 far 10 99 10 - 5.7-8.1 H ILE 71 - QD1 LEU 80 far 0 100 0 - 7.5-11.4 H THR 108 - QD1 LEU 80 far 0 100 0 - 9.7-13.6 Violated in 4 structures by 0.02 A. Peak 5503 from cnoeabs.peaks (5.55, 0.78, 25.50 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 80 + QD1 LEU 80 OK 99 100 100 99 2.0-3.5 3.9=88, 504/7715=54...(13) Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (1.75, 0.78, 25.50 ppm; 3.67 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 80 + QD1 LEU 80 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 80 OK 46 98 55 86 4.4-7.6 3.1/9925=47, ~9922=28...(14) HB3 LEU 82 + QD1 LEU 80 OK 26 70 40 92 3.8-7.1 ~11395=27, 3.0/5578=20...(22) HB3 LYS 94 - QD1 LEU 80 far 0 65 0 - 5.5-8.7 HG3 ARG 105 - QD1 LEU 80 far 0 100 0 - 5.7-9.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 5506 from cnoeabs.peaks (1.44, 0.78, 25.50 ppm; 3.06 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 80 + QD1 LEU 80 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 6 + QD1 LEU 80 OK 45 70 90 71 2.3-5.2 1.8/10953=17...(13) HG12 ILE 7 - QD1 LEU 80 far 0 65 0 - 5.3-8.0 HG2 LYS 106 - QD1 LEU 80 far 0 61 0 - 6.1-10.2 HB3 LYS 61 - QD1 LEU 80 far 0 94 0 - 6.7-9.6 HG2 LYS 96 - QD1 LEU 80 far 0 100 0 - 7.1-9.3 HB3 LEU 4 - QD1 LEU 80 far 0 99 0 - 7.7-10.5 HB2 LEU 4 - QD1 LEU 80 far 0 99 0 - 8.1-10.9 HB3 LEU 63 - QD1 LEU 80 far 0 77 0 - 8.1-11.1 HG12 ILE 57 - QD1 LEU 80 far 0 61 0 - 8.3-11.2 HG12 ILE 56 - QD1 LEU 80 far 0 81 0 - 8.5-11.1 HG LEU 4 - QD1 LEU 80 far 0 92 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 LEU 81 + HA LEU 81 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 115 - HA LEU 81 far 0 94 0 - 9.6-11.4 HG2 MET 121 - HA LEU 81 far 0 100 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 5512 from cnoeabs.peaks (1.36, 5.27, 53.06 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 81 + HA LEU 81 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 81 + HA LEU 81 OK 92 92 100 100 2.6-3.0 2.1/5538=84, 4.3=79...(19) HG2 LYS 94 - HA LEU 81 far 0 84 0 - 7.2-11.2 Violated in 0 structures by 0.00 A. Peak 5513 from cnoeabs.peaks (1.35, 5.27, 53.06 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 81 + HA LEU 81 OK 100 100 100 100 2.6-3.0 2.1/5538=84, 4.3=79...(19) HB3 LEU 81 + HA LEU 81 OK 92 92 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (0.79, 5.27, 53.06 ppm; 3.59 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 81 + HA LEU 81 OK 100 100 100 100 2.6-2.8 5538=100, 7720/511=54...(16) QD2 LEU 80 + HA LEU 81 OK 56 84 75 89 3.1-5.8 ~7715=28, 1539/3.0=20...(23) QD1 LEU 80 + HA LEU 81 OK 34 81 50 84 2.8-6.0 7715/3.0=38, ~506=19...(19) QD1 LEU 82 + HA LEU 81 OK 20 90 35 65 3.0-5.6 4.6/511=39, 2.1/10972=12...(7) QD2 LEU 64 - HA LEU 81 far 0 98 0 - 6.6-9.0 QD1 LEU 114 - HA LEU 81 far 0 73 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 5515 from cnoeabs.peaks (0.71, 5.27, 53.06 ppm; 4.62 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + HA LEU 81 OK 100 100 100 100 3.9-4.0 3.9=100 QG1 VAL 117 + HA LEU 81 OK 65 77 100 84 5.0-5.8 5529/3.0=33, 5522/3.0=33...(6) QD1 LEU 6 - HA LEU 81 far 9 94 10 - 5.7-7.2 QG2 ILE 18 - HA LEU 81 far 0 87 0 - 7.2-8.5 QG2 ILE 56 - HA LEU 81 far 0 87 0 - 9.5-10.9 QD1 ILE 57 - HA LEU 81 far 0 100 0 - 9.8-11.2 QG2 VAL 78 - HA LEU 81 far 0 61 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.4 3.8=100 Violated in 0 structures by 0.00 A. Peak 5517 from cnoeabs.peaks (5.27, 1.92, 45.78 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 81 + HB2 LEU 81 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 83 - HB2 LEU 81 far 0 94 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 LEU 81 + HB2 LEU 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 81 + HB2 LEU 81 OK 92 92 100 100 2.7-3.0 3.0=100 HG2 LYS 94 - HB2 LEU 81 far 0 84 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 81 + HB2 LEU 81 OK 92 92 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5521 from cnoeabs.peaks (0.79, 1.92, 45.78 ppm; 3.85 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 81 + HB2 LEU 81 OK 100 100 100 100 1.9-3.1 3.1=100 QD2 LEU 80 + HB2 LEU 81 OK 27 84 40 82 4.0-6.7 5.0/1536=34, 4.7/9943=20...(12) QD1 LEU 80 + HB2 LEU 81 OK 27 81 40 84 4.4-6.5 7715/1536=35...(13) QD1 LEU 82 - HB2 LEU 81 far 9 90 10 - 4.8-7.4 QD2 LEU 64 - HB2 LEU 81 far 0 98 0 - 7.0-8.7 QD1 LEU 114 - HB2 LEU 81 far 0 73 0 - 8.5-9.9 QG1 VAL 29 - HB2 LEU 81 far 0 90 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 5522 from cnoeabs.peaks (0.71, 1.92, 45.78 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + HB2 LEU 81 OK 100 100 100 100 2.2-2.7 3.1=100 QG1 VAL 117 + HB2 LEU 81 OK 72 77 100 93 2.8-3.9 ~11639=33, 5529/1.8=32...(15) QG2 ILE 18 - HB2 LEU 81 far 9 87 10 - 5.3-7.0 QD1 LEU 6 - HB2 LEU 81 far 5 94 5 - 4.6-6.7 QD1 ILE 57 - HB2 LEU 81 far 0 100 0 - 7.4-9.7 QG2 ILE 56 - HB2 LEU 81 far 0 87 0 - 8.0-9.9 QG2 VAL 78 - HB2 LEU 81 far 0 61 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.1 3.8=100 Violated in 0 structures by 0.00 A. Peak 5524 from cnoeabs.peaks (5.27, 1.36, 45.78 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 81 + HB3 LEU 81 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 83 - HB3 LEU 81 far 0 94 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 5525 from cnoeabs.peaks (1.92, 1.36, 45.78 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 81 + HB3 LEU 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 121 - HB3 LEU 81 far 0 100 0 - 8.7-11.4 HB2 LYS 115 - HB3 LEU 81 far 0 94 0 - 9.3-11.2 HB3 LYS 115 - HB3 LEU 81 far 0 77 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 81 + HB3 LEU 81 OK 100 100 100 100 2.0-3.1 3.1=100 QD1 LEU 80 + HB3 LEU 81 OK 22 81 40 69 4.0-6.4 7715/3.8=30...(11) QD2 LEU 80 - HB3 LEU 81 poor 19 84 35 63 4.0-6.6 5.0/1537=16, 5514/3.0=15...(11) QD1 LEU 82 - HB3 LEU 81 far 4 90 5 - 4.7-7.1 QD2 LEU 64 - HB3 LEU 81 far 0 98 0 - 6.4-9.6 QD1 LEU 114 - HB3 LEU 81 far 0 73 0 - 8.6-9.8 QG1 VAL 29 - HB3 LEU 81 far 0 90 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (0.71, 1.36, 45.78 ppm; 3.68 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + HB3 LEU 81 OK 100 100 100 100 2.0-2.7 3.1=100 QG1 VAL 117 + HB3 LEU 81 OK 68 77 100 88 3.1-4.0 ~11639=29, 5522/1.8=29...(13) QD1 LEU 6 - HB3 LEU 81 poor 19 94 20 - 5.0-5.8 QG2 ILE 18 - HB3 LEU 81 far 13 87 15 - 4.9-6.3 QD1 ILE 57 - HB3 LEU 81 far 0 100 0 - 7.5-8.7 QG2 ILE 56 - HB3 LEU 81 far 0 87 0 - 7.6-8.9 QG2 VAL 78 - HB3 LEU 81 far 0 61 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 5531 from cnoeabs.peaks (5.27, 1.35, 27.36 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 81 + HG LEU 81 OK 100 100 100 100 2.6-3.0 4.3=97, 5538/2.1=91...(19) HA GLN 83 + HG LEU 81 OK 55 94 95 62 5.2-5.9 10305/11457=33...(4) Violated in 0 structures by 0.00 A. Peak 5532 from cnoeabs.peaks (1.92, 1.35, 27.36 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 81 + HG LEU 81 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 115 - HG LEU 81 far 0 94 0 - 8.3-9.8 HB3 LYS 115 - HG LEU 81 far 0 77 0 - 8.8-10.2 HB3 LYS 17 - HG LEU 81 far 0 100 0 - 9.5-11.9 HG2 MET 121 - HG LEU 81 far 0 100 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * QD1 LEU 81 + HG LEU 81 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 82 - HG LEU 81 far 9 90 10 - 4.4-6.6 QD1 LEU 80 - HG LEU 81 far 0 81 0 - 4.7-7.7 QD2 LEU 80 - HG LEU 81 far 0 84 0 - 5.0-7.7 QD1 LEU 114 - HG LEU 81 far 0 73 0 - 7.7-8.7 QD2 LEU 64 - HG LEU 81 far 0 98 0 - 7.9-9.8 QG1 VAL 29 - HG LEU 81 far 0 90 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 5536 from cnoeabs.peaks (0.71, 1.35, 27.36 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 81 + HG LEU 81 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 117 + HG LEU 81 OK 57 77 80 92 4.5-5.5 2.1/11639=61...(11) QG2 ILE 18 - HG LEU 81 far 0 87 0 - 5.8-7.3 QD1 LEU 6 - HG LEU 81 far 0 94 0 - 6.5-7.9 QD1 ILE 57 - HG LEU 81 far 0 100 0 - 8.7-10.3 QG2 ILE 56 - HG LEU 81 far 0 87 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 5537 from cnoeabs.peaks (9.06, 0.79, 24.93 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + QD1 LEU 81 OK 100 100 100 100 4.4-4.6 3.0/5538=83, 4.8=81...(15) Violated in 19 structures by 0.09 A. Peak 5538 from cnoeabs.peaks (5.27, 0.79, 24.93 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 81 + QD1 LEU 81 OK 99 100 100 99 2.6-2.8 3.9=60, 511/7720=46...(16) HA GLN 83 - QD1 LEU 81 far 0 94 0 - 5.0-6.3 Violated in 0 structures by 0.00 A. Peak 5539 from cnoeabs.peaks (1.92, 0.79, 24.93 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 81 + QD1 LEU 81 OK 100 100 100 100 1.9-3.1 3.1=100 HB2 LYS 115 - QD1 LEU 81 far 0 94 0 - 5.3-6.6 HB3 LYS 115 - QD1 LEU 81 far 0 77 0 - 5.7-6.9 HG2 MET 121 - QD1 LEU 81 far 0 100 0 - 6.3-9.7 HB3 LYS 17 - QD1 LEU 81 far 0 100 0 - 7.9-10.2 HB2 LYS 123 - QD1 LEU 81 far 0 77 0 - 8.3-10.2 HB3 LYS 123 - QD1 LEU 81 far 0 99 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 5540 from cnoeabs.peaks (1.36, 0.79, 24.93 ppm; 2.79 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 81 + QD1 LEU 81 OK 94 100 100 94 2.0-3.1 3.1=70, 3.0/5538=37...(13) HG LEU 81 + QD1 LEU 81 OK 92 92 100 100 2.1-2.1 2.1=100 HG2 LYS 94 - QD1 LEU 81 far 0 84 0 - 8.0-11.6 Violated in 0 structures by 0.00 A. Peak 5541 from cnoeabs.peaks (1.35, 0.79, 24.93 ppm; 2.79 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 81 + QD1 LEU 81 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 81 + QD1 LEU 81 OK 87 92 100 94 2.0-3.1 3.1=70, 3.0/5538=37...(13) Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + QD1 LEU 81 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 117 + QD1 LEU 81 OK 43 77 95 59 2.5-4.2 ~11639=14, 5536/2.1=10...(14) QG2 ILE 18 - QD1 LEU 81 far 0 87 0 - 4.3-6.0 QD1 LEU 6 - QD1 LEU 81 far 0 94 0 - 6.3-7.3 QD1 ILE 57 - QD1 LEU 81 far 0 100 0 - 7.8-9.1 QG2 ILE 56 - QD1 LEU 81 far 0 87 0 - 8.7-9.8 QG2 VAL 78 - QD1 LEU 81 far 0 61 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.5 4.8=100 Violated in 0 structures by 0.00 A. Peak 5545 from cnoeabs.peaks (5.27, 0.71, 25.86 ppm; 5.66 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 81 + QD2 LEU 81 OK 100 100 100 100 3.9-4.0 3.9=100 HA GLN 83 + QD2 LEU 81 OK 67 94 100 71 5.6-6.5 5531/2.1=35...(5) Violated in 0 structures by 0.00 A. Peak 5546 from cnoeabs.peaks (1.92, 0.71, 25.86 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 81 + QD2 LEU 81 OK 100 100 100 100 2.2-2.7 3.1=100 HB3 LYS 17 - QD2 LEU 81 far 0 100 0 - 6.4-8.3 HB3 LYS 115 - QD2 LEU 81 far 0 77 0 - 6.5-7.8 HB2 LYS 115 - QD2 LEU 81 far 0 94 0 - 6.5-7.5 HG2 MET 121 - QD2 LEU 81 far 0 100 0 - 6.8-9.4 HB ILE 15 - QD2 LEU 81 far 0 99 0 - 7.6-9.3 HB2 LYS 123 - QD2 LEU 81 far 0 77 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 5547 from cnoeabs.peaks (1.36, 0.71, 25.86 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 81 + QD2 LEU 81 OK 100 100 100 100 2.0-2.7 3.1=100 HG LEU 81 + QD2 LEU 81 OK 92 92 100 100 2.1-2.1 2.1=100 HG2 LYS 94 - QD2 LEU 81 far 0 84 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 81 + QD2 LEU 81 OK 92 92 100 100 2.0-2.7 3.1=100 Violated in 0 structures by 0.00 A. Peak 5549 from cnoeabs.peaks (0.79, 0.71, 25.86 ppm; 2.74 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 81 + QD2 LEU 81 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 80 - QD2 LEU 81 far 0 81 0 - 5.0-7.0 QD2 LEU 80 - QD2 LEU 81 far 0 84 0 - 5.0-7.2 QD1 LEU 82 - QD2 LEU 81 far 0 90 0 - 5.3-6.9 QD1 LEU 114 - QD2 LEU 81 far 0 73 0 - 5.4-6.2 QG1 VAL 29 - QD2 LEU 81 far 0 90 0 - 6.8-9.2 QD2 LEU 64 - QD2 LEU 81 far 0 98 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 LEU 82 + HA LEU 82 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 90 - HA LEU 82 far 0 65 0 - 6.7-8.9 HB ILE 116 - HA LEU 82 far 0 94 0 - 7.3-7.8 HB3 LEU 64 - HA LEU 82 far 0 96 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 5554 from cnoeabs.peaks (1.74, 4.91, 53.13 ppm; 4.85 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 82 + HA LEU 82 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 ARG 105 - HA LEU 82 far 4 73 5 - 6.3-10.4 HB2 LEU 80 - HA LEU 82 far 0 70 0 - 6.7-7.9 HB3 LEU 90 - HA LEU 82 far 0 81 0 - 7.1-10.3 HB3 LYS 94 - HA LEU 82 far 0 100 0 - 7.5-11.8 HG12 ILE 15 - HA LEU 82 far 0 92 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 5555 from cnoeabs.peaks (1.60, 4.91, 53.13 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 82 + HA LEU 82 OK 100 100 100 100 2.8-4.3 4.3=100 HG12 ILE 116 - HA LEU 82 far 0 81 0 - 7.5-9.8 HG LEU 68 - HA LEU 82 far 0 92 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 5556 from cnoeabs.peaks (0.82, 4.91, 53.13 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 82 + HA LEU 82 OK 100 100 100 100 1.8-3.4 5580=100, 522/518=59...(15) QD1 LEU 64 - HA LEU 82 poor 10 90 35 32 4.3-7.1 10448/10751=12...(7) QG2 ILE 57 - HA LEU 82 far 0 77 0 - 6.7-9.2 QG2 ILE 5 - HA LEU 82 far 0 73 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (0.78, 4.91, 53.13 ppm; 3.89 A): 5 out of 9 assignments used, quality = 1.00: * QD1 LEU 82 + HA LEU 82 OK 100 100 100 100 3.3-4.0 3.9=100 QD1 LEU 81 + HA LEU 82 OK 58 90 75 87 4.9-5.5 7720/2.9=55, ~516=29...(8) QD2 LEU 80 + HA LEU 82 OK 54 100 70 78 3.5-7.4 5585/5580=20...(14) QD1 LEU 80 + HA LEU 82 OK 50 100 65 78 3.4-6.7 5585/5580=17, ~9964=16...(15) QG1 VAL 107 + HA LEU 82 OK 38 77 100 49 4.2-5.0 523/518=26, 11186/3.0=15...(4) QD1 ILE 7 - HA LEU 82 far 0 90 0 - 5.8-7.5 QD2 LEU 64 - HA LEU 82 far 0 99 0 - 5.8-7.4 QD2 LEU 14 - HA LEU 82 far 0 77 0 - 6.6-8.1 QD1 ILE 15 - HA LEU 82 far 0 81 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 5559 from cnoeabs.peaks (4.91, 1.62, 44.22 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 82 + HB2 LEU 82 OK 100 100 100 100 2.6-3.0 3.0=100 HA ARG 105 + HB2 LEU 82 OK 64 99 85 76 5.0-8.8 1542/1543=28...(9) HA ILE 57 - HB2 LEU 82 far 0 100 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB3 LEU 82 + HB2 LEU 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 94 - HB2 LEU 82 far 10 100 10 - 4.8-10.1 HG3 ARG 105 - HB2 LEU 82 far 7 73 10 - 4.8-10.1 HB3 LEU 90 - HB2 LEU 82 far 0 81 0 - 5.1-9.5 HB2 LEU 80 - HB2 LEU 82 far 0 70 0 - 5.5-8.0 HB2 LEU 68 - HB2 LEU 82 far 0 90 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 5562 from cnoeabs.peaks (1.60, 1.62, 44.22 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 82 + HB2 LEU 82 OK 100 100 100 100 2.3-2.6 3.0=100 HG12 ILE 116 - HB2 LEU 82 far 0 81 0 - 7.3-10.4 HG LEU 68 - HB2 LEU 82 far 0 92 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 5563 from cnoeabs.peaks (0.82, 1.62, 44.22 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 82 + HB2 LEU 82 OK 100 100 100 100 2.5-3.2 3.1=100 QD1 LEU 64 - HB2 LEU 82 far 9 90 10 - 4.9-7.8 QG2 ILE 57 - HB2 LEU 82 far 0 77 0 - 7.8-11.6 QG2 ILE 5 - HB2 LEU 82 far 0 73 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 5564 from cnoeabs.peaks (0.78, 1.62, 44.22 ppm; 3.69 A): 4 out of 8 assignments used, quality = 1.00: * QD1 LEU 82 + HB2 LEU 82 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 80 + HB2 LEU 82 OK 79 100 85 93 2.9-7.8 ~11395=28, 2.1/9964=25...(23) QD1 LEU 80 + HB2 LEU 82 OK 61 100 65 94 2.4-6.7 ~11395=28, 2.1/9964=25...(23) QG1 VAL 107 + HB2 LEU 82 OK 39 77 85 60 4.2-5.6 11186=21, 523/519=19...(9) QD1 LEU 81 - HB2 LEU 82 far 0 90 0 - 5.4-6.6 QD2 LEU 64 - HB2 LEU 82 far 0 99 0 - 5.8-8.3 QD1 ILE 7 - HB2 LEU 82 far 0 90 0 - 7.2-9.2 QD2 LEU 14 - HB2 LEU 82 far 0 77 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 5566 from cnoeabs.peaks (4.91, 1.74, 44.22 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 82 + HB3 LEU 82 OK 100 100 100 100 2.3-2.7 3.0=100 HA ARG 105 - HB3 LEU 82 far 0 99 0 - 6.5-9.0 HA ILE 57 - HB3 LEU 82 far 0 100 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 5567 from cnoeabs.peaks (1.62, 1.74, 44.22 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 82 + HB3 LEU 82 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 90 - HB3 LEU 82 poor 16 65 25 - 4.3-8.1 HB3 LEU 64 - HB3 LEU 82 far 0 96 0 - 6.1-9.8 HB ILE 116 - HB3 LEU 82 far 0 94 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG LEU 82 + HB3 LEU 82 OK 100 100 100 100 2.5-3.0 3.0=100 HG12 ILE 116 - HB3 LEU 82 far 0 81 0 - 8.1-10.7 HG LEU 68 - HB3 LEU 82 far 0 92 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 5570 from cnoeabs.peaks (0.82, 1.74, 44.22 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 82 + HB3 LEU 82 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 64 - HB3 LEU 82 poor 8 90 35 26 3.4-7.5 5556/3.0=7, 5577/3.0=5...(8) QG2 ILE 57 - HB3 LEU 82 far 0 77 0 - 7.8-11.2 QG2 ILE 5 - HB3 LEU 82 far 0 73 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 5571 from cnoeabs.peaks (0.78, 1.74, 44.22 ppm; 3.87 A): 4 out of 9 assignments used, quality = 1.00: * QD1 LEU 82 + HB3 LEU 82 OK 100 100 100 100 2.2-3.2 3.1=100 QD2 LEU 80 + HB3 LEU 82 OK 75 100 80 94 3.9-7.9 ~11395=31, 11093/3.0=25...(23) QD1 LEU 80 + HB3 LEU 82 OK 42 100 45 94 3.8-7.1 ~11395=31, 5578/3.0=22...(23) QG1 VAL 107 + HB3 LEU 82 OK 41 77 95 56 4.4-5.6 11186/1.8=19, 523/520=18...(7) QD2 LEU 64 - HB3 LEU 82 far 5 99 5 - 4.4-8.4 QD1 LEU 81 - HB3 LEU 82 far 0 90 0 - 6.1-6.9 QD1 ILE 7 - HB3 LEU 82 far 0 90 0 - 7.6-9.6 QD2 LEU 14 - HB3 LEU 82 far 0 77 0 - 7.8-9.2 QD1 ILE 15 - HB3 LEU 82 far 0 81 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.9 5.0=100 Violated in 0 structures by 0.00 A. Peak 5573 from cnoeabs.peaks (4.91, 1.60, 26.76 ppm; 5.95 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 82 + HG LEU 82 OK 100 100 100 100 2.8-4.3 4.3=100 HA ARG 105 + HG LEU 82 OK 81 99 95 85 6.1-7.5 5587/2.1=42...(5) HA ILE 57 - HG LEU 82 far 0 100 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 5574 from cnoeabs.peaks (1.62, 1.60, 26.76 ppm; 2.40 A): 1 out of 4 assignments used, quality = 0.73: * HB2 LEU 82 + HG LEU 82 OK 73 100 100 73 2.3-2.6 3.0=52, 4.0/1545=17...(8) HG LEU 90 - HG LEU 82 far 0 65 0 - 6.2-9.1 HB3 LEU 64 - HG LEU 82 far 0 96 0 - 6.8-8.0 HB ILE 116 - HG LEU 82 far 0 94 0 - 8.2-9.8 Violated in 18 structures by 0.11 A. Peak 5575 from cnoeabs.peaks (1.74, 1.60, 26.76 ppm; 3.10 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 82 + HG LEU 82 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 80 - HG LEU 82 far 10 70 15 - 4.2-6.6 HB3 LYS 94 - HG LEU 82 far 0 100 0 - 5.4-8.7 HG3 ARG 105 - HG LEU 82 far 0 73 0 - 6.2-9.7 HB3 LEU 90 - HG LEU 82 far 0 81 0 - 7.0-9.5 HB2 LEU 68 - HG LEU 82 far 0 90 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QD2 LEU 82 + HG LEU 82 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 64 - HG LEU 82 lone 6 90 40 17 3.8-5.8 4785/5578=3, ~4791=3...(8) QG2 ILE 5 - HG LEU 82 far 0 73 0 - 7.9-10.0 QG2 ILE 57 - HG LEU 82 far 0 77 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 5578 from cnoeabs.peaks (0.78, 1.60, 26.76 ppm; 3.14 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 82 + HG LEU 82 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 80 + HG LEU 82 OK 79 100 95 84 1.8-4.7 ~11395=26, 5585/2.1=18...(22) QD2 LEU 80 + HG LEU 82 OK 78 100 90 87 1.7-5.6 ~11395=26, 5585/2.1=22...(23) QD2 LEU 64 - HG LEU 82 far 15 99 15 - 4.2-7.0 QG1 VAL 107 - HG LEU 82 far 0 77 0 - 5.6-6.9 QD1 LEU 81 - HG LEU 82 far 0 90 0 - 5.7-7.1 QD1 ILE 7 - HG LEU 82 far 0 90 0 - 6.0-9.4 QD2 LEU 14 - HG LEU 82 far 0 77 0 - 9.1-10.5 QD1 ILE 15 - HG LEU 82 far 0 81 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 5579 from cnoeabs.peaks (8.86, 0.82, 23.86 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + QD2 LEU 82 OK 100 100 100 100 1.7-4.1 1546=100, 1545/2.1=94...(10) Violated in 0 structures by 0.00 A. Peak 5580 from cnoeabs.peaks (4.91, 0.82, 23.86 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 82 + QD2 LEU 82 OK 99 100 100 99 1.8-3.4 5556=71, 518/522=51...(15) HA ARG 105 - QD2 LEU 82 far 5 99 5 - 4.8-7.8 HA ILE 57 - QD2 LEU 82 far 0 100 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 5581 from cnoeabs.peaks (1.62, 0.82, 23.86 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 82 + QD2 LEU 82 OK 100 100 100 100 2.5-3.2 3.1=100 HG LEU 90 - QD2 LEU 82 far 3 65 5 - 4.3-7.5 HB3 LEU 64 - QD2 LEU 82 far 0 96 0 - 4.7-8.1 HB ILE 116 - QD2 LEU 82 far 0 94 0 - 6.4-8.6 HG LEU 63 - QD2 LEU 82 far 0 100 0 - 9.8-13.5 Violated in 18 structures by 0.04 A. Peak 5582 from cnoeabs.peaks (1.74, 0.82, 23.86 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 82 + QD2 LEU 82 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LYS 94 - QD2 LEU 82 far 5 100 5 - 5.0-8.1 HB3 LEU 90 - QD2 LEU 82 far 4 81 5 - 5.1-7.8 HB2 LEU 80 - QD2 LEU 82 far 3 70 5 - 5.1-6.9 HG3 ARG 105 - QD2 LEU 82 far 0 73 0 - 5.3-9.3 HB2 LEU 68 - QD2 LEU 82 far 0 90 0 - 7.7-10.6 HG12 ILE 15 - QD2 LEU 82 far 0 92 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 5583 from cnoeabs.peaks (1.60, 0.82, 23.86 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 82 + QD2 LEU 82 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 68 - QD2 LEU 82 far 0 92 0 - 6.8-9.8 HG12 ILE 116 - QD2 LEU 82 far 0 81 0 - 7.2-10.2 Violated in 0 structures by 0.00 A. 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): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 82 + QD2 LEU 82 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 80 + QD2 LEU 82 OK 58 100 90 65 2.3-5.9 2.1/11395=22...(15) QD1 LEU 80 + QD2 LEU 82 OK 48 100 75 64 2.0-4.5 2.1/11395=22...(17) QD2 LEU 64 - QD2 LEU 82 poor 9 99 25 36 3.3-7.3 11393/9970=10...(9) QG1 VAL 107 - QD2 LEU 82 far 8 77 10 - 3.2-6.0 QD1 LEU 81 - QD2 LEU 82 far 0 90 0 - 4.4-6.3 QD1 ILE 7 - QD2 LEU 82 far 0 90 0 - 5.7-8.4 QD2 LEU 14 - QD2 LEU 82 far 0 77 0 - 6.8-8.3 QD1 ILE 15 - QD2 LEU 82 far 0 81 0 - 7.4-10.6 QG2 VAL 32 - QD2 LEU 82 far 0 77 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-4.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 5587 from cnoeabs.peaks (4.91, 0.78, 26.01 ppm; 5.32 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 82 + QD1 LEU 82 OK 100 100 100 100 3.3-4.0 3.9=100 HA ARG 105 + QD1 LEU 82 OK 87 99 100 88 4.5-6.0 669/10280=32...(9) HA ILE 57 - QD1 LEU 82 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 5588 from cnoeabs.peaks (1.62, 0.78, 26.01 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 82 + QD1 LEU 82 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 90 - QD1 LEU 82 poor 11 65 40 41 3.7-7.0 ~10973=14, ~9967=10...(8) HB3 LEU 64 - QD1 LEU 82 far 0 96 0 - 6.0-8.1 HB ILE 116 - QD1 LEU 82 far 0 94 0 - 6.0-9.0 Violated in 0 structures by 0.00 A. Peak 5589 from cnoeabs.peaks (1.74, 0.78, 26.01 ppm; 3.36 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 82 + QD1 LEU 82 OK 100 100 100 100 2.2-3.2 3.1=100 HB3 LYS 94 + QD1 LEU 82 OK 44 100 50 89 2.7-6.7 1620/10100=39, 10980=38...(7) HB2 LEU 80 + QD1 LEU 82 OK 27 70 50 77 3.7-5.6 ~11395=24, 3.0/5493=14...(18) HB3 LEU 90 - QD1 LEU 82 poor 16 81 20 - 4.2-7.5 HG3 ARG 105 - QD1 LEU 82 far 0 73 0 - 5.6-7.8 HB2 LEU 68 - QD1 LEU 82 far 0 90 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 5590 from cnoeabs.peaks (1.60, 0.78, 26.01 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 82 + QD1 LEU 82 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 68 - QD1 LEU 82 far 0 92 0 - 6.7-8.5 HG12 ILE 116 - QD1 LEU 82 far 0 81 0 - 6.9-10.3 Violated in 0 structures by 0.00 A. Peak 5591 from cnoeabs.peaks (0.82, 0.78, 26.01 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 82 + QD1 LEU 82 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 64 - QD1 LEU 82 poor 18 90 20 - 3.4-5.8 QG2 ILE 5 - QD1 LEU 82 far 0 73 0 - 6.8-9.3 QG2 ILE 57 - QD1 LEU 82 far 0 77 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 83 + HA GLN 83 OK 100 100 100 100 2.9-2.9 3.0=100 H ASN 10 - HA GLN 83 far 5 100 5 - 5.9-7.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5596 from cnoeabs.peaks (1.42, 5.26, 54.59 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + HA GLN 83 OK 100 100 100 100 2.3-2.6 3.0=100 QB ALA 113 + HA GLN 83 OK 84 92 100 92 3.4-4.4 5604/3.0=32, 5628/3.9=26...(13) HG3 LYS 106 - HA GLN 83 far 0 65 0 - 5.9-8.0 Violated in 0 structures by 0.00 A. Peak 5597 from cnoeabs.peaks (2.34, 5.26, 54.59 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 83 + HA GLN 83 OK 100 100 100 100 2.3-3.2 3.9=100 HG3 GLU 112 - HA GLN 83 far 0 100 0 - 6.4-9.9 HG2 GLU 112 - HA GLN 83 far 0 100 0 - 6.5-10.0 Violated in 0 structures by 0.00 A. Peak 5598 from cnoeabs.peaks (2.12, 5.26, 54.59 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + HA GLN 83 OK 100 100 100 100 2.8-3.7 3.9=100 HB VAL 107 + HA GLN 83 OK 100 100 100 100 3.7-5.1 2.1/10305=77...(12) Violated in 0 structures by 0.00 A. Peak 5601 from cnoeabs.peaks (8.44, 2.21, 29.87 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 83 + HB2 GLN 83 OK 100 100 100 100 2.7-3.0 4.0=100 H ASN 10 + HB2 GLN 83 OK 97 100 100 97 3.5-5.0 4.7/9995=49, 43/9991=48...(8) Violated in 0 structures by 0.00 A. Peak 5602 from cnoeabs.peaks (5.26, 2.21, 29.87 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 83 + HB2 GLN 83 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 81 - HB2 GLN 83 far 0 94 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + HB2 GLN 83 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 113 + HB2 GLN 83 OK 78 92 100 85 2.9-4.1 5628/3.0=22, 5620/3.0=21...(16) HG3 LYS 106 - HB2 GLN 83 far 0 65 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 5605 from cnoeabs.peaks (2.34, 2.21, 29.87 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 83 + HB2 GLN 83 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 112 - HB2 GLN 83 far 0 100 0 - 7.6-11.1 HG2 GLU 112 - HB2 GLN 83 far 0 100 0 - 7.9-11.0 Violated in 0 structures by 0.00 A. Peak 5606 from cnoeabs.peaks (2.12, 2.21, 29.87 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + HB2 GLN 83 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 107 - HB2 GLN 83 far 0 100 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 5609 from cnoeabs.peaks (8.44, 1.42, 29.87 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 83 + HB3 GLN 83 OK 100 100 100 100 3.1-3.6 4.0=100 H ASN 10 + HB3 GLN 83 OK 89 100 95 93 5.1-6.7 9130/1.8=48...(6) Violated in 0 structures by 0.00 A. Peak 5610 from cnoeabs.peaks (5.26, 1.42, 29.87 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 83 + HB3 GLN 83 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 81 - HB3 GLN 83 far 0 94 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 GLN 83 + HB3 GLN 83 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 112 - HB3 GLN 83 far 0 100 0 - 5.9-9.6 HG2 GLU 112 - HB3 GLN 83 far 0 100 0 - 6.2-9.9 Violated in 0 structures by 0.00 A. Peak 5614 from cnoeabs.peaks (2.12, 1.42, 29.87 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 83 + HB3 GLN 83 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 107 + HB3 GLN 83 OK 84 100 85 99 4.1-5.6 10315=47, 2.1/10899=42...(19) HB2 GLU 111 - HB3 GLN 83 far 0 65 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.6 4.4=100 HE22 GLN 83 + HB3 GLN 83 OK 100 100 100 100 4.2-5.3 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-5.3 4.4=100 HE21 GLN 83 + HB3 GLN 83 OK 100 100 100 100 3.8-4.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 5618 from cnoeabs.peaks (5.26, 2.34, 33.72 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 83 + HG2 GLN 83 OK 100 100 100 100 2.3-3.2 3.9=100 HA LEU 81 - HG2 GLN 83 far 0 94 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5620 from cnoeabs.peaks (1.42, 2.34, 33.72 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + HG2 GLN 83 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 113 + HG2 GLN 83 OK 87 92 100 95 2.9-4.6 5628/1.8=37...(15) HG3 LYS 106 - HG2 GLN 83 far 0 65 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 GLN 83 + HG2 GLN 83 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 107 - HG2 GLN 83 far 5 100 5 - 4.4-7.1 HB2 GLU 111 - HG2 GLN 83 far 0 65 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.7 3.5=100 HE22 GLN 83 + HG2 GLN 83 OK 100 100 100 100 3.4-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 5624 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 100 100 100 100 2.1-2.7 3.5=100 * HE22 GLN 83 + HG2 GLN 83 OK 100 100 100 100 3.4-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 5625 from cnoeabs.peaks (8.44, 2.12, 33.72 ppm; 5.61 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 83 + HG3 GLN 83 OK 100 100 100 100 4.0-5.1 5.0=100 H ASN 10 + HG3 GLN 83 OK 77 100 90 86 4.5-7.3 9130/3.0=61...(3) Violated in 0 structures by 0.00 A. Peak 5626 from cnoeabs.peaks (5.26, 2.12, 33.72 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 83 + HG3 GLN 83 OK 100 100 100 100 2.8-3.7 3.9=100 HA LEU 81 - HG3 GLN 83 far 0 94 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5628 from cnoeabs.peaks (1.42, 2.12, 33.72 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 83 + HG3 GLN 83 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 113 + HG3 GLN 83 OK 87 92 100 95 1.9-4.2 11518/11007=45...(17) HG3 LYS 106 - HG3 GLN 83 far 0 65 0 - 8.9-11.2 HG3 LYS 17 - HG3 GLN 83 far 0 94 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 5629 from cnoeabs.peaks (2.34, 2.12, 33.72 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 83 + HG3 GLN 83 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 112 - HG3 GLN 83 far 0 100 0 - 5.6-10.7 HG3 GLU 112 - HG3 GLN 83 far 0 100 0 - 5.6-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.5 3.5=100 HE22 GLN 83 + HG3 GLN 83 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 5632 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 100 100 100 100 2.4-3.5 3.5=100 * HE22 GLN 83 + HG3 GLN 83 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 5633 from cnoeabs.peaks (8.21, 4.50, 54.02 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + HA ASP 84 OK 100 100 100 100 2.9-2.9 2.9=100 H GLU 89 - HA ASP 84 far 0 73 0 - 7.5-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5636 from cnoeabs.peaks (2.66, 4.50, 54.02 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 84 + HA ASP 84 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 61 - HA ASP 84 far 0 92 0 - 7.9-14.1 HB3 ASP 110 - HA ASP 84 far 0 70 0 - 8.3-11.9 Violated in 0 structures by 0.00 A. Peak 5637 from cnoeabs.peaks (8.21, 2.59, 43.77 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + HB2 ASP 84 OK 100 100 100 100 2.6-3.7 4.1=100 H GLU 89 - HB2 ASP 84 poor 12 73 60 26 5.2-7.5 10069/11701=15...(3) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 ASP 84 + HB2 ASP 84 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 61 - HB2 ASP 84 far 0 92 0 - 7.1-14.1 Violated in 0 structures by 0.00 A. Peak 5641 from cnoeabs.peaks (8.21, 2.66, 43.77 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + HB3 ASP 84 OK 100 100 100 100 2.8-3.9 4.1=100 H GLU 89 - HB3 ASP 84 poor 10 73 60 23 5.5-7.9 11577/11570=15, 5637/1.8=8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 85 + HA GLN 85 OK 100 100 100 100 2.8-2.9 3.0=100 H THR 108 - HA GLN 85 far 0 84 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5648 from cnoeabs.peaks (2.04, 4.33, 56.59 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 85 + HA GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 87 - HA GLN 85 far 0 100 0 - 6.2-8.8 HB2 GLU 89 - HA GLN 85 far 0 100 0 - 7.1-10.5 HB3 GLU 89 - HA GLN 85 far 0 100 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 5649 from cnoeabs.peaks (2.41, 4.33, 56.59 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 85 + HA GLN 85 OK 100 100 100 100 2.2-4.0 3.9=88, 1.8/5678=38...(29) HG3 GLN 85 + HA GLN 85 OK 100 100 100 100 2.3-3.7 3.9=88, 1.8/5670=38...(29) HB2 ASP 110 - HA GLN 85 far 0 94 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 5650 from cnoeabs.peaks (2.40, 4.33, 56.59 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 85 + HA GLN 85 OK 100 100 100 100 2.3-3.7 3.9=88, 1.8/5670=38...(29) HG2 GLN 85 + HA GLN 85 OK 100 100 100 100 2.2-4.0 3.9=88, 1.8/5678=38...(29) HB2 ASP 110 - HA GLN 85 far 0 90 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 5653 from cnoeabs.peaks (8.62, 2.17, 29.33 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.2-3.6 1562=100, 1563/1.8=85...(11) H LYS 94 - HB2 GLU 98 far 0 76 0 - 6.3-8.4 H THR 108 - HB2 GLN 85 far 0 84 0 - 8.0-9.1 H LEU 80 - HB2 GLU 98 far 0 61 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 5654 from cnoeabs.peaks (4.33, 2.17, 29.33 ppm; 3.16 A): 3 out of 4 assignments used, quality = 1.00: * HA GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 98 + HB2 GLU 98 OK 90 90 100 100 2.3-3.0 2.9=100 HA SER 99 + HB2 GLU 98 OK 48 81 80 73 3.8-5.6 2.9/630=36, ~7812=26...(7) HA PHE 93 - HB2 GLU 98 far 0 87 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB3 GLN 85 + HB2 GLN 85 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 98 + HB2 GLU 98 OK 71 71 100 100 1.8-1.8 1.8=100 HB3 GLN 100 - HB2 GLU 98 far 0 83 0 - 6.2-8.6 HB2 GLU 89 - HB2 GLN 85 far 0 100 0 - 7.0-10.4 HB3 GLU 87 - HB2 GLN 85 far 0 100 0 - 7.8-10.0 HB3 GLU 89 - HB2 GLN 85 far 0 100 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 5657 from cnoeabs.peaks (2.41, 2.17, 29.33 ppm; 2.92 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=93, 5672/1.8=32...(26) HG3 GLN 85 + HB2 GLN 85 OK 99 100 100 100 2.3-3.0 3.0=93, 5680/1.8=32...(26) HG2 GLU 91 - HB2 GLU 98 far 0 79 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 5658 from cnoeabs.peaks (2.40, 2.17, 29.33 ppm; 2.92 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=93, 5680/1.8=32...(26) HG2 GLN 85 + HB2 GLN 85 OK 99 100 100 100 2.3-3.0 3.0=93, 5672/1.8=32...(26) HG2 GLU 91 - HB2 GLU 98 far 0 74 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 5661 from cnoeabs.peaks (8.62, 2.04, 29.33 ppm; 3.35 A): 1 out of 16 assignments used, quality = 1.00: * H GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.2-3.6 1563=100, 1562/1.8=63...(12) H GLN 85 - HB2 GLU 89 far 0 98 0 - 5.4-9.2 H LYS 94 - HB3 GLU 98 far 0 51 0 - 5.4-7.0 H THR 108 - HB3 GLU 87 far 0 54 0 - 6.5-10.8 H LYS 94 - HB3 GLU 89 far 0 85 0 - 6.6-9.1 H GLN 85 - HB3 GLU 89 far 0 98 0 - 6.7-9.4 H ILE 71 - HB2 GLU 66 far 0 59 0 - 6.7-8.8 H THR 108 - HB3 GLN 85 far 0 84 0 - 6.7-8.9 H LYS 94 - HB2 GLU 89 far 0 85 0 - 6.8-8.3 H GLN 85 - HB3 GLU 87 far 0 73 0 - 7.3-9.6 H ILE 71 - HB3 GLN 100 far 0 44 0 - 7.8-10.3 H LEU 80 - HB3 GLN 100 far 0 54 0 - 8.4-10.6 H LEU 80 - HB3 GLU 98 far 0 39 0 - 8.4-10.9 H LYS 94 - HB3 GLN 100 far 0 68 0 - 9.2-12.2 H LYS 94 - HB3 GLU 87 far 0 59 0 - 9.5-10.7 H THR 108 - HB2 GLU 89 far 0 80 0 - 9.8-14.3 Violated in 8 structures by 0.07 A. Peak 5662 from cnoeabs.peaks (4.33, 2.04, 29.33 ppm; 3.07 A): 2 out of 12 assignments used, quality = 1.00: * HA GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 98 + HB3 GLU 98 OK 63 63 100 100 2.7-3.0 2.9=100 HA GLU 98 - HB3 GLN 100 far 0 82 0 - 4.7-6.7 HA SER 99 - HB3 GLU 98 far 0 55 0 - 4.7-5.5 HA SER 99 - HB3 GLN 100 far 0 73 0 - 5.4-6.6 HA GLN 85 - HB3 GLU 87 far 0 73 0 - 6.2-8.8 HA PHE 93 - HB3 GLU 89 far 0 95 0 - 6.5-9.9 HA GLN 85 - HB2 GLU 89 far 0 98 0 - 7.1-10.5 HA PHE 93 - HB3 GLU 98 far 0 59 0 - 7.1-8.1 HA PHE 93 - HB2 GLU 89 far 0 95 0 - 7.6-9.4 HA PHE 93 - HB3 GLN 100 far 0 78 0 - 8.3-11.3 HA GLN 85 - HB3 GLU 89 far 0 98 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 5663 from cnoeabs.peaks (2.17, 2.04, 29.33 ppm; 2.40 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLN 85 + HB3 GLN 85 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 66 + HB2 GLU 66 OK 75 78 100 97 2.4-3.0 3.0=52, 4910/1.8=42...(23) HB2 GLU 98 + HB3 GLU 98 OK 59 59 100 100 1.8-1.8 1.8=100 HB2 GLN 62 - HB2 GLU 66 far 0 96 0 - 4.7-7.0 HB3 GLN 62 - HB2 GLU 66 far 0 96 0 - 5.1-8.5 HB2 GLU 98 - HB3 GLN 100 far 0 78 0 - 6.2-8.6 HB2 MET 42 - HB2 GLU 66 far 0 63 0 - 6.8-9.3 HB2 GLN 85 - HB2 GLU 89 far 0 98 0 - 7.0-10.4 HB2 GLN 85 - HB3 GLU 87 far 0 73 0 - 7.8-10.0 HB2 GLN 85 - HB3 GLU 89 far 0 98 0 - 8.2-10.3 HB3 GLU 37 - HB2 GLU 66 far 0 99 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. 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 18 assignments used, quality = 1.00: * HG2 GLN 85 + HB3 GLN 85 OK 98 100 100 98 2.4-3.0 3.0=79, 5657/1.8=30...(24) HG3 GLN 85 + HB3 GLN 85 OK 98 100 100 98 2.3-3.0 3.0=79, 5657/1.8=30...(24) HG2 GLU 66 + HB2 GLU 66 OK 71 71 100 100 2.3-3.0 3.0=80, 1.8/4909=64...(27) HG3 GLN 62 - HB2 GLU 66 far 10 97 10 - 3.6-7.6 HG3 MET 67 - HB2 GLU 66 far 8 84 10 - 4.1-7.8 HG2 GLN 62 - HB2 GLU 66 far 5 96 5 - 4.3-8.9 HG2 GLU 91 - HB3 GLU 87 far 3 62 5 - 4.1-7.3 HG3 GLN 85 - HB2 GLU 89 far 0 98 0 - 6.2-11.8 HG2 GLU 91 - HB2 GLU 89 far 0 88 0 - 6.8-9.4 HG2 GLN 85 - HB2 GLU 89 far 0 98 0 - 7.3-12.1 HG3 GLN 85 - HB3 GLU 89 far 0 98 0 - 7.4-11.6 HG2 GLU 91 - HB3 GLU 89 far 0 88 0 - 7.7-9.6 HG3 GLN 85 - HB3 GLU 87 far 0 73 0 - 7.8-11.5 HG2 GLN 85 - HB3 GLU 87 far 0 73 0 - 7.8-10.8 HG2 GLU 91 - HB3 GLU 98 far 0 53 0 - 7.8-10.7 HG2 GLN 85 - HB3 GLU 89 far 0 98 0 - 8.4-11.9 HB2 ASP 110 - HB3 GLN 85 far 0 94 0 - 9.7-12.9 HG3 MET 67 - HB3 GLN 100 far 0 65 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 5666 from cnoeabs.peaks (2.40, 2.04, 29.33 ppm; 2.78 A): 3 out of 18 assignments used, quality = 1.00: * HG3 GLN 85 + HB3 GLN 85 OK 98 100 100 98 2.3-3.0 3.0=79, 5658/1.8=30...(24) HG2 GLN 85 + HB3 GLN 85 OK 98 100 100 98 2.4-3.0 3.0=79, 5658/1.8=30...(24) HG2 GLU 66 + HB2 GLU 66 OK 78 78 100 100 2.3-3.0 3.0=80, 1.8/4909=64...(27) HG3 GLN 62 - HB2 GLU 66 far 9 95 10 - 3.6-7.6 HG3 MET 67 - HB2 GLU 66 far 9 89 10 - 4.1-7.8 HG2 GLN 62 - HB2 GLU 66 far 5 93 5 - 4.3-8.9 HG2 GLU 91 - HB3 GLU 87 far 3 57 5 - 4.1-7.3 HG3 GLN 85 - HB2 GLU 89 far 0 98 0 - 6.2-11.8 HG2 GLU 91 - HB2 GLU 89 far 0 83 0 - 6.8-9.4 HG2 GLN 85 - HB2 GLU 89 far 0 98 0 - 7.3-12.1 HG3 GLN 85 - HB3 GLU 89 far 0 98 0 - 7.4-11.6 HG2 GLU 91 - HB3 GLU 89 far 0 83 0 - 7.7-9.6 HG3 GLN 85 - HB3 GLU 87 far 0 73 0 - 7.8-11.5 HG2 GLN 85 - HB3 GLU 87 far 0 73 0 - 7.8-10.8 HG2 GLU 91 - HB3 GLU 98 far 0 48 0 - 7.8-10.7 HG2 GLN 85 - HB3 GLU 89 far 0 98 0 - 8.4-11.9 HB2 ASP 110 - HB3 GLN 85 far 0 90 0 - 9.7-12.9 HG3 MET 67 - HB3 GLN 100 far 0 71 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 5669 from cnoeabs.peaks (8.62, 2.41, 33.72 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 85 + HG2 GLN 85 OK 99 100 100 99 2.1-4.5 1563/3.0=65, 1562/3.0=60...(13) H GLN 85 + HG3 GLN 85 OK 99 100 100 99 2.0-4.2 1563/3.0=65, 1562/3.0=60...(13) H THR 108 - HG2 GLN 85 far 0 84 0 - 5.7-9.4 H ALA 124 - HG2 GLN 122 far 0 55 0 - 5.8-7.0 H THR 108 - HG3 GLN 85 far 0 83 0 - 6.6-9.0 Violated in 3 structures by 0.01 A. Peak 5670 from cnoeabs.peaks (4.33, 2.41, 33.72 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.2-4.0 3.9=83, 5650/1.8=36...(29) HA GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.3-3.7 3.9=83, 5649/1.8=36...(29) HB THR 9 - HG3 GLN 85 far 0 83 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 5671 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.73 A): 6 out of 11 assignments used, quality = 1.00: * HB2 GLN 85 + HG2 GLN 85 OK 98 100 100 98 2.3-3.0 3.0=76, 5658/1.8=30...(22) HB2 GLN 85 + HG3 GLN 85 OK 98 100 100 98 2.3-3.0 3.0=76, 5657/1.8=30...(22) HB2 GLN 62 + HG3 GLN 62 OK 84 94 100 89 2.3-2.6 3.0=76, 3.0/4674=15...(10) HB3 GLN 62 + HG3 GLN 62 OK 84 94 100 89 2.3-3.0 3.0=76, 3.0/4674=15...(10) HB3 GLN 62 + HG2 GLN 62 OK 82 92 100 89 2.3-3.0 3.0=76, 3.0/4674=15...(10) HB2 GLN 62 + HG2 GLN 62 OK 82 92 100 89 2.3-3.0 3.0=76, 3.0/4674=15...(10) HG3 GLU 66 - HG3 GLN 62 far 11 75 15 - 3.4-7.1 HG3 GLU 66 - HG2 GLN 62 far 0 73 0 - 4.3-7.9 HB3 GLU 37 - HG3 GLN 62 far 0 97 0 - 9.4-13.2 HB3 GLU 13 - HG3 GLN 85 far 0 83 0 - 9.6-15.6 HB3 GLU 37 - HG2 GLN 62 far 0 95 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5672 from cnoeabs.peaks (2.04, 2.41, 33.72 ppm; 3.00 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 66 - HG2 GLN 62 far 10 96 10 - 4.3-8.9 HB2 GLU 66 - HG3 GLN 62 lone 2 97 30 8 3.6-7.6 8111/11046=5, 11060/11406=3 HB2 GLU 89 - HG3 GLN 85 far 0 100 0 - 6.2-11.8 HB2 GLN 25 - HG2 GLN 122 far 0 45 0 - 6.4-10.3 HB2 GLU 89 - HG2 GLN 85 far 0 100 0 - 7.3-12.1 HB3 GLU 89 - HG3 GLN 85 far 0 100 0 - 7.4-11.6 HB3 MET 67 - HG3 GLN 62 far 0 89 0 - 7.6-12.8 HB3 GLU 87 - HG3 GLN 85 far 0 100 0 - 7.8-11.5 HB3 MET 67 - HG2 GLN 62 far 0 87 0 - 7.8-12.3 HB3 GLU 87 - HG2 GLN 85 far 0 100 0 - 7.8-10.8 HB VAL 117 - HG2 GLN 122 far 0 78 0 - 7.8-8.5 HB3 GLU 89 - HG2 GLN 85 far 0 100 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. 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): 4 out of 12 assignments used, quality = 1.00: * HE21 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.1-3.4 3.5=100 H LEU 64 + HG2 GLN 62 OK 34 95 50 71 4.7-6.2 2081/3.9=38, 384/7609=22...(6) H LEU 64 + HG3 GLN 62 OK 28 97 40 72 4.8-7.4 2081/3.9=38, 384/7609=22...(6) HD21 ASN 10 - HG3 GLN 85 far 0 69 0 - 7.3-13.2 H ASP 34 - HG3 GLN 62 far 0 91 0 - 7.7-11.1 H ASP 34 - HG2 GLN 62 far 0 89 0 - 7.8-10.5 HD21 ASN 10 - HG2 GLN 62 far 0 62 0 - 8.5-13.4 HD21 ASN 10 - HG2 GLN 85 far 0 70 0 - 8.7-13.6 H GLU 69 - HG3 GLN 62 far 0 97 0 - 8.8-12.1 H GLU 69 - HG2 GLN 62 far 0 95 0 - 9.9-12.0 HD21 ASN 10 - HG3 GLN 62 far 0 64 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 5676 from cnoeabs.peaks (6.89, 2.41, 33.72 ppm; 4.07 A): 4 out of 5 assignments used, quality = 1.00: * HE22 GLN 85 + HG2 GLN 85 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 100 100 100 100 3.4-4.0 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 95 95 100 100 3.5-4.1 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 93 93 100 100 3.5-4.1 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 2 45 5 - 4.1-10.8 Violated in 0 structures by 0.00 A. Peak 5677 from cnoeabs.peaks (8.62, 2.40, 33.72 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 85 + HG3 GLN 85 OK 99 100 100 99 2.0-4.2 1563/3.0=65, 1562/3.0=60...(13) H GLN 85 + HG2 GLN 85 OK 99 100 100 99 2.1-4.5 1563/3.0=65, 1562/3.0=60...(13) H THR 108 - HG2 GLN 85 far 0 83 0 - 5.7-9.4 H ALA 124 - HG2 GLN 122 far 0 55 0 - 5.8-7.0 H THR 108 - HG3 GLN 85 far 0 84 0 - 6.6-9.0 Violated in 3 structures by 0.01 A. Peak 5678 from cnoeabs.peaks (4.33, 2.40, 33.72 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.3-3.7 3.9=83, 5649/1.8=36...(29) HA GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.2-4.0 3.9=83, 5650/1.8=36...(29) HB THR 9 - HG3 GLN 85 far 0 84 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 5679 from cnoeabs.peaks (2.17, 2.40, 33.72 ppm; 2.73 A): 6 out of 11 assignments used, quality = 1.00: * HB2 GLN 85 + HG3 GLN 85 OK 98 100 100 98 2.3-3.0 3.0=76, 5657/1.8=30...(22) HB2 GLN 85 + HG2 GLN 85 OK 98 100 100 98 2.3-3.0 3.0=76, 5658/1.8=30...(22) HB2 GLN 62 + HG3 GLN 62 OK 80 89 100 89 2.3-2.6 3.0=76, 3.0/4674=15...(10) HB3 GLN 62 + HG3 GLN 62 OK 80 89 100 89 2.3-3.0 3.0=76, 3.0/4674=15...(10) HB3 GLN 62 + HG2 GLN 62 OK 77 86 100 89 2.3-3.0 3.0=76, 3.0/4674=15...(10) HB2 GLN 62 + HG2 GLN 62 OK 77 86 100 89 2.3-3.0 3.0=76, 3.0/4674=15...(10) HG3 GLU 66 - HG3 GLN 62 far 11 70 15 - 3.4-7.1 HG3 GLU 66 - HG2 GLN 62 far 0 67 0 - 4.3-7.9 HB3 GLU 37 - HG3 GLN 62 far 0 93 0 - 9.4-13.2 HB3 GLU 13 - HG3 GLN 85 far 0 84 0 - 9.6-15.6 HB3 GLU 37 - HG2 GLN 62 far 0 90 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5680 from cnoeabs.peaks (2.04, 2.40, 33.72 ppm; 3.00 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 66 - HG2 GLN 62 far 9 90 10 - 4.3-8.9 HB2 GLU 66 - HG3 GLN 62 lone 2 93 30 8 3.6-7.6 8111/11046=5, 11060/11406=3 HB2 GLU 89 - HG3 GLN 85 far 0 100 0 - 6.2-11.8 HB2 GLN 25 - HG2 GLN 122 far 0 45 0 - 6.4-10.3 HB2 GLU 89 - HG2 GLN 85 far 0 100 0 - 7.3-12.1 HB3 GLU 89 - HG3 GLN 85 far 0 100 0 - 7.4-11.6 HB3 MET 67 - HG3 GLN 62 far 0 84 0 - 7.6-12.8 HB3 GLU 87 - HG3 GLN 85 far 0 100 0 - 7.8-11.5 HB3 MET 67 - HG2 GLN 62 far 0 81 0 - 7.8-12.3 HB3 GLU 87 - HG2 GLN 85 far 0 100 0 - 7.8-10.8 HB VAL 117 - HG2 GLN 122 far 0 78 0 - 7.8-8.5 HB3 GLU 89 - HG2 GLN 85 far 0 100 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. 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): 4 out of 12 assignments used, quality = 1.00: * HE21 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.1-3.4 3.5=100 HE21 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.1-3.6 3.5=100 H LEU 64 + HG2 GLN 62 OK 32 90 50 71 4.7-6.2 2081/3.9=38, 2082/5.2=22...(6) H LEU 64 + HG3 GLN 62 OK 26 93 40 71 4.8-7.4 2081/3.9=38, 2082/5.2=22...(6) HD21 ASN 10 - HG3 GLN 85 far 0 70 0 - 7.3-13.2 H ASP 34 - HG3 GLN 62 far 0 86 0 - 7.7-11.1 H ASP 34 - HG2 GLN 62 far 0 83 0 - 7.8-10.5 HD21 ASN 10 - HG2 GLN 62 far 0 57 0 - 8.5-13.4 HD21 ASN 10 - HG2 GLN 85 far 0 69 0 - 8.7-13.6 H GLU 69 - HG3 GLN 62 far 0 92 0 - 8.8-12.1 H GLU 69 - HG2 GLN 62 far 0 89 0 - 9.9-12.0 HD21 ASN 10 - HG3 GLN 62 far 0 60 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 5684 from cnoeabs.peaks (6.89, 2.40, 33.72 ppm; 4.07 A): 4 out of 5 assignments used, quality = 1.00: * HE22 GLN 85 + HG3 GLN 85 OK 100 100 100 100 3.4-4.0 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 91 91 100 100 3.5-4.1 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 87 87 100 100 3.5-4.1 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 2 45 5 - 4.1-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5689 from cnoeabs.peaks (8.69, 2.93, 40.96 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 86 + HB2 ASP 86 OK 100 100 100 100 2.5-3.8 1570=100, 1571/1.8=90...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5693 from cnoeabs.peaks (8.69, 2.57, 40.96 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 86 + HB3 ASP 86 OK 100 100 100 100 2.3-3.0 1571=100, 1570/1.8=87...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.2-2.7 3.0=100 HB3 GLU 92 - HA GLU 87 far 0 84 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 5700 from cnoeabs.peaks (2.04, 4.04, 58.52 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 89 - HA GLU 87 far 0 100 0 - 5.0-7.3 HB3 GLU 89 - HA GLU 87 far 0 100 0 - 6.6-7.3 HB2 GLU 92 - HA GLU 87 far 0 84 0 - 7.3-10.2 HB3 GLN 85 - HA GLU 87 far 0 100 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 5701 from cnoeabs.peaks (2.29, 4.04, 58.52 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.9-4.2 4.0=70, 3.0/5704=67...(30) * HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 3.0-3.8 4.0=70, 3.0/5704=67...(30) HG3 GLU 91 - HA GLU 87 lone 15 96 80 19 3.6-6.2 11569/11493=12...(3) HG3 GLU 89 - HA GLU 87 far 4 73 5 - 4.8-7.3 Violated in 0 structures by 0.00 A. Peak 5702 from cnoeabs.peaks (2.29, 4.04, 58.52 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.9-4.2 4.0=70, 3.0/5704=67...(30) HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 3.0-3.8 4.0=70, 3.0/5704=67...(30) HG3 GLU 91 - HA GLU 87 lone 15 96 80 19 3.6-6.2 11569/11493=12...(3) HG3 GLU 89 - HA GLU 87 far 4 73 5 - 4.8-7.3 Violated in 0 structures by 0.00 A. Peak 5703 from cnoeabs.peaks (8.64, 2.09, 29.57 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HB2 GLU 87 OK 100 100 100 100 3.2-3.6 1574=100, 1575/1.8=90...(11) Violated in 0 structures by 0.00 A. Peak 5704 from cnoeabs.peaks (4.04, 2.09, 29.57 ppm; 2.80 A): 1 out of 2 assignments used, quality = 0.98: * HA GLU 87 + HB2 GLU 87 OK 98 100 100 98 2.2-2.7 3.0=83, 3.0/1574=35...(22) HA GLU 92 - HB2 GLU 87 far 0 100 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 GLU 87 + HB2 GLU 87 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 89 - HB2 GLU 87 far 0 100 0 - 6.9-8.9 HB2 GLU 92 - HB2 GLU 87 far 0 84 0 - 7.9-11.1 HB3 GLU 89 - HB2 GLU 87 far 0 100 0 - 8.1-9.1 HB3 GLN 85 - HB2 GLU 87 far 0 100 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 5707 from cnoeabs.peaks (2.29, 2.09, 29.57 ppm; 2.68 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + HB2 GLU 87 OK 98 100 100 98 2.3-3.0 3.0=71, 5714/1.8=32...(20) * HG2 GLU 87 + HB2 GLU 87 OK 98 100 100 98 2.6-3.0 3.0=71, 5714/1.8=32...(20) HG3 GLU 91 - HB2 GLU 87 lone 3 96 50 6 2.9-6.1 552/550=4, 5701/5704=2 HG3 GLU 89 - HB2 GLU 87 far 0 73 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 5708 from cnoeabs.peaks (2.29, 2.09, 29.57 ppm; 2.68 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 87 + HB2 GLU 87 OK 98 100 100 98 2.3-3.0 3.0=71, 5714/1.8=32...(20) HG2 GLU 87 + HB2 GLU 87 OK 98 100 100 98 2.6-3.0 3.0=71, 5714/1.8=32...(20) HG3 GLU 91 - HB2 GLU 87 lone 3 96 50 6 2.9-6.1 552/550=4, 5701/5704=2 HG3 GLU 89 - HB2 GLU 87 far 0 73 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 5709 from cnoeabs.peaks (8.64, 2.04, 29.57 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.2-3.3 1575=100, 1574/1.8=69...(12) H VAL 104 - HB3 GLU 98 poor 15 50 30 - 3.4-6.6 H GLU 87 - HB3 GLN 85 far 0 73 0 - 5.7-7.8 Violated in 0 structures by 0.00 A. Peak 5710 from cnoeabs.peaks (4.04, 2.04, 29.57 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 87 - HB3 GLN 85 far 0 73 0 - 7.3-8.6 HA GLU 92 - HB3 GLU 98 far 0 58 0 - 7.4-9.4 HA GLU 92 - HB3 GLU 87 far 0 100 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 5711 from cnoeabs.peaks (2.09, 2.04, 29.57 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 103 - HB3 GLU 98 far 0 54 0 - 7.4-10.3 HB2 GLU 87 - HB3 GLN 85 far 0 73 0 - 8.3-10.6 HB3 GLU 92 - HB3 GLU 98 far 0 43 0 - 9.2-11.0 HB3 GLU 92 - HB3 GLU 87 far 0 84 0 - 9.3-11.9 HB3 GLU 112 - HB3 GLN 85 far 0 59 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 5712 from cnoeabs.peaks (2.04, 2.04, 29.57 ppm; diagonal): 3 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 8 assignments used, quality = 1.00: * HG2 GLU 87 + HB3 GLU 87 OK 97 100 100 97 2.3-3.0 3.0=68, 5707/1.8=31...(22) HG3 GLU 87 + HB3 GLU 87 OK 97 100 100 97 2.3-3.0 3.0=68, 5707/1.8=31...(21) HG3 GLU 91 - HB3 GLU 87 far 0 96 0 - 4.5-6.7 HG3 GLU 89 - HB3 GLU 87 far 0 73 0 - 6.4-8.8 HG2 GLU 87 - HB3 GLN 85 far 0 73 0 - 6.8-11.5 HG3 GLU 89 - HB3 GLN 85 far 0 46 0 - 6.8-10.0 HG3 GLU 87 - HB3 GLN 85 far 0 73 0 - 7.4-11.4 HG3 GLU 91 - HB3 GLU 98 far 0 52 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 5714 from cnoeabs.peaks (2.29, 2.04, 29.57 ppm; 2.65 A): 2 out of 8 assignments used, quality = 1.00: HG2 GLU 87 + HB3 GLU 87 OK 97 100 100 97 2.3-3.0 3.0=68, 5707/1.8=31...(22) * HG3 GLU 87 + HB3 GLU 87 OK 97 100 100 97 2.3-3.0 3.0=68, 5707/1.8=31...(21) HG3 GLU 91 - HB3 GLU 87 far 0 96 0 - 4.5-6.7 HG3 GLU 89 - HB3 GLU 87 far 0 73 0 - 6.4-8.8 HG2 GLU 87 - HB3 GLN 85 far 0 73 0 - 6.8-11.5 HG3 GLU 89 - HB3 GLN 85 far 0 46 0 - 6.8-10.0 HG3 GLU 87 - HB3 GLN 85 far 0 73 0 - 7.4-11.4 HG3 GLU 91 - HB3 GLU 98 far 0 52 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 5715 from cnoeabs.peaks (8.64, 2.29, 36.01 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: H GLU 87 + HG3 GLU 87 OK 100 100 100 100 1.9-4.4 1575/3.0=69, 1574/3.0=65...(13) * H GLU 87 + HG2 GLU 87 OK 100 100 100 100 1.8-3.9 1575/3.0=69, 1574/3.0=65...(13) Violated in 0 structures by 0.00 A. Peak 5716 from cnoeabs.peaks (4.04, 2.29, 36.01 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 87 + HG3 GLU 87 OK 99 100 100 99 2.9-4.2 5704/3.0=51, 4.0=45...(30) * HA GLU 87 + HG2 GLU 87 OK 99 100 100 99 3.0-3.8 5704/3.0=51, 4.0=45...(29) HA LYS 40 - HG2 GLU 47 far 0 50 0 - 4.6-8.6 HA GLU 92 - HG3 GLU 87 far 0 100 0 - 8.4-11.9 HA GLU 92 - HG2 GLU 87 far 0 100 0 - 8.8-12.2 HA GLU 13 - HG2 GLU 111 far 0 81 0 - 8.9-13.0 Violated in 15 structures by 0.18 A. Peak 5717 from cnoeabs.peaks (2.09, 2.29, 36.01 ppm; 2.40 A): 4 out of 10 assignments used, quality = 1.00: HB2 GLU 87 + HG3 GLU 87 OK 91 100 100 91 2.3-3.0 3.0=51, 1.8/5713=26...(15) * HB2 GLU 87 + HG2 GLU 87 OK 91 100 100 91 2.6-3.0 3.0=51, 1.8/5713=26...(15) HB2 GLU 111 + HG2 GLU 111 OK 60 87 100 69 2.3-3.0 3.0=51, 3.0/6595=13...(6) HB3 GLU 47 + HG2 GLU 47 OK 30 42 100 72 2.3-3.0 3.0=51, 3.0/4042=23...(4) HB2 GLU 112 - HG2 GLU 111 far 8 78 10 - 3.5-7.2 HB3 GLU 112 - HG2 GLU 111 far 0 76 0 - 4.2-8.3 HG2 GLU 21 - HG2 GLU 111 far 0 73 0 - 6.2-12.1 HG3 GLU 21 - HG2 GLU 111 far 0 78 0 - 6.6-10.9 HB3 GLU 92 - HG3 GLU 87 far 0 84 0 - 8.2-11.5 HB3 GLU 92 - HG2 GLU 87 far 0 84 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 5718 from cnoeabs.peaks (2.04, 2.29, 36.01 ppm; 2.48 A): 4 out of 15 assignments used, quality = 1.00: HB3 GLU 87 + HG3 GLU 87 OK 93 100 100 93 2.3-3.0 3.0=56, 5713/1.8=28...(15) * HB3 GLU 87 + HG2 GLU 87 OK 93 100 100 93 2.3-3.0 3.0=56, 5713/1.8=28...(15) HB3 GLU 111 + HG2 GLU 111 OK 41 57 100 72 2.3-3.0 3.0=56, 3.0/6595=14...(6) HB2 GLU 47 + HG2 GLU 47 OK 32 42 100 76 2.5-3.0 3.0=56, 3.0/4042=25...(4) HB2 GLU 48 - HG2 GLU 47 far 0 68 0 - 5.5-8.0 HB2 GLU 89 - HG3 GLU 87 far 0 100 0 - 6.3-8.6 HB3 GLU 48 - HG2 GLU 47 far 0 68 0 - 6.4-8.2 HB2 GLU 89 - HG2 GLU 87 far 0 100 0 - 6.5-9.0 HB3 GLN 85 - HG2 GLU 87 far 0 100 0 - 6.8-11.5 HB3 GLU 89 - HG3 GLU 87 far 0 100 0 - 7.2-9.9 HB3 GLN 85 - HG3 GLU 87 far 0 100 0 - 7.4-11.4 HB3 GLU 89 - HG2 GLU 87 far 0 100 0 - 7.8-9.5 HB2 GLU 92 - HG3 GLU 87 far 0 84 0 - 7.8-12.8 HB2 GLU 92 - HG2 GLU 87 far 0 84 0 - 8.0-12.9 HB VAL 117 - HG2 GLU 111 far 0 85 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 87 + HG3 GLU 87 OK 100 100 100 100 1.9-4.4 1575/3.0=69, 1574/3.0=65...(13) H GLU 87 + HG2 GLU 87 OK 100 100 100 100 1.8-3.9 1575/3.0=69, 1574/3.0=65...(13) Violated in 0 structures by 0.00 A. Peak 5722 from cnoeabs.peaks (4.04, 2.29, 36.01 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 87 + HG3 GLU 87 OK 99 100 100 99 2.9-4.2 5704/3.0=51, 4.0=45...(30) HA GLU 87 + HG2 GLU 87 OK 99 100 100 99 3.0-3.8 5704/3.0=51, 4.0=45...(29) HA LYS 40 - HG2 GLU 47 far 0 50 0 - 4.6-8.6 HA GLU 92 - HG3 GLU 87 far 0 100 0 - 8.4-11.9 HA GLU 92 - HG2 GLU 87 far 0 100 0 - 8.8-12.2 HA GLU 13 - HG2 GLU 111 far 0 81 0 - 8.9-13.0 Violated in 15 structures by 0.18 A. Peak 5723 from cnoeabs.peaks (2.09, 2.29, 36.01 ppm; 2.40 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLU 87 + HG3 GLU 87 OK 91 100 100 91 2.3-3.0 3.0=51, 1.8/5713=26...(15) HB2 GLU 87 + HG2 GLU 87 OK 91 100 100 91 2.6-3.0 3.0=51, 1.8/5713=26...(15) HB2 GLU 111 + HG2 GLU 111 OK 60 87 100 69 2.3-3.0 3.0=51, 3.0/6595=13...(6) HB3 GLU 47 + HG2 GLU 47 OK 30 42 100 72 2.3-3.0 3.0=51, 3.0/4042=23...(4) HB2 GLU 112 - HG2 GLU 111 far 8 78 10 - 3.5-7.2 HB3 GLU 112 - HG2 GLU 111 far 0 76 0 - 4.2-8.3 HG2 GLU 21 - HG2 GLU 111 far 0 73 0 - 6.2-12.1 HG3 GLU 21 - HG2 GLU 111 far 0 78 0 - 6.6-10.9 HB3 GLU 92 - HG3 GLU 87 far 0 84 0 - 8.2-11.5 HB3 GLU 92 - HG2 GLU 87 far 0 84 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (2.04, 2.29, 36.01 ppm; 2.48 A): 4 out of 15 assignments used, quality = 1.00: * HB3 GLU 87 + HG3 GLU 87 OK 93 100 100 93 2.3-3.0 3.0=56, 5713/1.8=28...(15) HB3 GLU 87 + HG2 GLU 87 OK 93 100 100 93 2.3-3.0 3.0=56, 5713/1.8=28...(15) HB3 GLU 111 + HG2 GLU 111 OK 41 57 100 72 2.3-3.0 3.0=56, 3.0/6595=14...(6) HB2 GLU 47 + HG2 GLU 47 OK 32 42 100 76 2.5-3.0 3.0=56, 3.0/4042=25...(4) HB2 GLU 48 - HG2 GLU 47 far 0 68 0 - 5.5-8.0 HB2 GLU 89 - HG3 GLU 87 far 0 100 0 - 6.3-8.6 HB3 GLU 48 - HG2 GLU 47 far 0 68 0 - 6.4-8.2 HB2 GLU 89 - HG2 GLU 87 far 0 100 0 - 6.5-9.0 HB3 GLN 85 - HG2 GLU 87 far 0 100 0 - 6.8-11.5 HB3 GLU 89 - HG3 GLU 87 far 0 100 0 - 7.2-9.9 HB3 GLN 85 - HG3 GLU 87 far 0 100 0 - 7.4-11.4 HB3 GLU 89 - HG2 GLU 87 far 0 100 0 - 7.8-9.5 HB2 GLU 92 - HG3 GLU 87 far 0 84 0 - 7.8-12.8 HB2 GLU 92 - HG2 GLU 87 far 0 84 0 - 8.0-12.9 HB VAL 117 - HG2 GLU 111 far 0 85 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 5730 from cnoeabs.peaks (2.90, 4.56, 55.64 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 88 + HA ASN 88 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 94 - HA ASN 88 far 0 87 0 - 6.8-11.2 Violated in 0 structures by 0.00 A. Peak 5733 from cnoeabs.peaks (8.53, 2.85, 38.17 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + HB2 ASN 88 OK 100 100 100 100 2.2-3.5 1580=100, 1581/1.8=89...(9) Violated in 0 structures by 0.00 A. Peak 5734 from cnoeabs.peaks (4.56, 2.85, 38.17 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 88 + HB2 ASN 88 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 77 - HB3 TYR 76 far 3 61 5 - 4.8-5.3 HA PHE 79 - HB3 TYR 76 far 0 77 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 ASN 88 + HB2 ASN 88 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 94 - HB2 ASN 88 far 0 87 0 - 9.0-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 5739 from cnoeabs.peaks (8.53, 2.90, 38.17 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + HB3 ASN 88 OK 100 100 100 100 2.2-3.0 1581=100, 1580/1.8=88...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.4 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 5745 from cnoeabs.peaks (8.22, 4.15, 58.25 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 89 + HA GLU 89 OK 100 100 100 100 2.8-2.9 3.0=100 H ASP 84 - HA GLU 89 far 0 73 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-3.0 3.0=95, 3.0/5749=25...(33) HB3 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-2.6 3.0=95, 3.0/5749=25...(32) HB2 GLU 92 + HA GLU 89 OK 55 84 75 87 2.4-5.3 8180=46, 1.8/8182=42...(12) HB3 GLU 87 - HA GLU 89 far 0 100 0 - 7.2-8.5 HB3 GLN 85 - HA GLU 89 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 5748 from cnoeabs.peaks (2.04, 4.15, 58.25 ppm; 2.96 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-3.0 3.0=95, 3.0/5749=25...(33) * HB3 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-2.6 3.0=95, 3.0/5749=25...(32) HB2 GLU 92 + HA GLU 89 OK 55 84 75 87 2.4-5.3 8180=46, 1.8/8182=42...(12) HB3 GLU 87 - HA GLU 89 far 0 100 0 - 7.2-8.5 HB3 GLN 85 - HA GLU 89 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 5749 from cnoeabs.peaks (2.26, 4.15, 58.25 ppm; 3.02 A): 2 out of 2 assignments used, quality = 0.99: * HG2 GLU 89 + HA GLU 89 OK 96 100 100 96 2.4-4.2 3.8=51, 1.8/5750=27...(19) HG3 GLU 92 + HA GLU 89 OK 80 100 90 89 2.5-5.7 5858/8180=44...(9) Violated in 4 structures by 0.01 A. Peak 5750 from cnoeabs.peaks (2.31, 4.15, 58.25 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 89 + HA GLU 89 OK 100 100 100 100 2.7-3.8 3.8=86, 5769/3.0=56...(20) HG2 GLU 92 + HA GLU 89 OK 91 99 95 97 2.4-5.2 3.0/8180=56...(12) HG2 GLU 87 - HA GLU 89 far 0 73 0 - 6.9-8.9 HG3 GLU 87 - HA GLU 89 far 0 73 0 - 7.1-9.2 Violated in 0 structures by 0.00 A. Peak 5751 from cnoeabs.peaks (8.22, 2.04, 29.24 ppm; 3.31 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 89 + HB2 GLU 89 OK 98 100 100 98 2.4-3.6 4.0=55, 5769/3.0=47...(18) H GLU 89 + HB3 GLU 89 OK 98 100 100 98 2.4-3.6 4.0=55, 5769/3.0=47...(16) H ASP 84 - HB3 GLN 85 far 0 69 0 - 5.8-7.1 H ASP 84 - HB2 GLU 89 far 0 73 0 - 6.0-10.3 H LEU 38 - HB2 GLU 66 far 0 65 0 - 6.9-9.5 H ASP 84 - HB3 GLU 89 far 0 73 0 - 6.9-10.5 H GLU 89 - HB3 GLN 85 far 0 98 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 5752 from cnoeabs.peaks (4.15, 2.04, 29.24 ppm; 2.95 A): 4 out of 8 assignments used, quality = 1.00: * HA GLU 89 + HB2 GLU 89 OK 100 100 100 100 2.4-3.0 3.0=94, 5748/1.8=26...(32) HA GLU 89 + HB3 GLU 89 OK 100 100 100 100 2.4-2.6 3.0=94, 5747/1.8=26...(31) HA LEU 63 + HB2 GLU 66 OK 53 84 75 84 2.3-5.4 8113/1.8=34, 8111=27...(10) HA ARG 95 + HB3 GLU 98 OK 40 50 100 80 1.8-3.6 8219/1.8=47, 8221=34...(6) HA LEU 70 - HB2 GLU 66 far 0 80 0 - 6.4-9.3 HA ARG 95 - HB3 GLN 100 far 0 89 0 - 7.3-9.9 HA LEU 70 - HB3 GLN 100 far 0 67 0 - 9.4-12.1 HA GLU 89 - HB3 GLN 85 far 0 98 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 5753 from cnoeabs.peaks (2.04, 2.04, 29.24 ppm; diagonal): 6 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): 6 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 11 assignments used, quality = 1.00: * HG2 GLU 89 + HB2 GLU 89 OK 93 100 100 93 2.3-3.0 3.0=66, 5873/1.8=20...(23) HG2 GLU 89 + HB3 GLU 89 OK 93 100 100 93 2.3-3.0 3.0=66, 5873/1.8=20...(23) HG2 GLU 69 - HB2 GLU 66 far 5 92 5 - 3.8-8.9 HG3 GLU 92 - HB3 GLU 89 far 0 100 0 - 4.5-6.8 HG3 GLU 92 - HB2 GLU 89 far 0 100 0 - 4.9-7.3 HG2 GLU 69 - HB3 GLN 100 far 0 78 0 - 5.2-9.3 HG2 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.6-10.2 HG2 GLU 103 - HB3 GLU 98 far 0 46 0 - 6.7-10.7 HG2 GLU 103 - HB3 GLN 100 far 0 84 0 - 8.7-12.8 HG3 GLU 92 - HB3 GLU 98 far 0 51 0 - 9.1-11.7 HB3 ASN 8 - HB2 GLU 66 far 0 92 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 5756 from cnoeabs.peaks (2.31, 2.04, 29.24 ppm; 2.68 A): 2 out of 14 assignments used, quality = 1.00: * HG3 GLU 89 + HB2 GLU 89 OK 96 100 100 96 2.3-3.0 3.0=71, 5769/4.0=21...(24) HG3 GLU 89 + HB3 GLU 89 OK 96 100 100 96 2.6-3.0 3.0=71, 5769/4.0=21...(24) HG2 GLU 92 - HB2 GLU 89 far 5 99 5 - 4.0-8.1 HG2 GLU 92 - HB3 GLU 89 far 0 99 0 - 4.3-7.4 HG3 GLU 87 - HB2 GLU 89 far 0 73 0 - 6.3-8.6 HG3 GLU 103 - HB3 GLU 98 far 0 39 0 - 6.4-9.9 HG2 GLU 87 - HB2 GLU 89 far 0 73 0 - 6.5-9.0 HG2 GLU 87 - HB3 GLN 85 far 0 69 0 - 6.8-11.5 HG3 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.8-10.0 HG3 GLU 87 - HB3 GLU 89 far 0 73 0 - 7.2-9.9 HG3 GLU 87 - HB3 GLN 85 far 0 69 0 - 7.4-11.4 HG2 GLU 87 - HB3 GLU 89 far 0 73 0 - 7.8-9.5 HG3 GLU 103 - HB3 GLN 100 far 0 73 0 - 9.5-11.7 HG2 GLU 92 - HB3 GLU 98 far 0 49 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5757 from cnoeabs.peaks (8.22, 2.04, 29.24 ppm; 3.31 A): 2 out of 7 assignments used, quality = 1.00: H GLU 89 + HB2 GLU 89 OK 98 100 100 98 2.4-3.6 4.0=55, 5769/3.0=47...(18) * H GLU 89 + HB3 GLU 89 OK 98 100 100 98 2.4-3.6 4.0=55, 5769/3.0=47...(16) H ASP 84 - HB3 GLN 85 far 0 69 0 - 5.8-7.1 H ASP 84 - HB2 GLU 89 far 0 73 0 - 6.0-10.3 H LEU 38 - HB2 GLU 66 far 0 65 0 - 6.9-9.5 H ASP 84 - HB3 GLU 89 far 0 73 0 - 6.9-10.5 H GLU 89 - HB3 GLN 85 far 0 98 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 5758 from cnoeabs.peaks (4.15, 2.04, 29.24 ppm; 2.95 A): 4 out of 8 assignments used, quality = 1.00: HA GLU 89 + HB2 GLU 89 OK 100 100 100 100 2.4-3.0 3.0=94, 5748/1.8=26...(32) * HA GLU 89 + HB3 GLU 89 OK 100 100 100 100 2.4-2.6 3.0=94, 5747/1.8=26...(31) HA LEU 63 + HB2 GLU 66 OK 53 84 75 84 2.3-5.4 8113/1.8=34, 8111=27...(10) HA ARG 95 + HB3 GLU 98 OK 40 50 100 80 1.8-3.6 8219/1.8=47, 8221=34...(6) HA LEU 70 - HB2 GLU 66 far 0 80 0 - 6.4-9.3 HA ARG 95 - HB3 GLN 100 far 0 89 0 - 7.3-9.9 HA LEU 70 - HB3 GLN 100 far 0 67 0 - 9.4-12.1 HA GLU 89 - HB3 GLN 85 far 0 98 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 5759 from cnoeabs.peaks (2.04, 2.04, 29.24 ppm; diagonal): 6 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): 6 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 11 assignments used, quality = 1.00: HG2 GLU 89 + HB2 GLU 89 OK 93 100 100 93 2.3-3.0 3.0=66, 5873/1.8=20...(23) * HG2 GLU 89 + HB3 GLU 89 OK 93 100 100 93 2.3-3.0 3.0=66, 5873/1.8=20...(23) HG2 GLU 69 - HB2 GLU 66 far 5 92 5 - 3.8-8.9 HG3 GLU 92 - HB3 GLU 89 far 0 100 0 - 4.5-6.8 HG3 GLU 92 - HB2 GLU 89 far 0 100 0 - 4.9-7.3 HG2 GLU 69 - HB3 GLN 100 far 0 78 0 - 5.2-9.3 HG2 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.6-10.2 HG2 GLU 103 - HB3 GLU 98 far 0 46 0 - 6.7-10.7 HG2 GLU 103 - HB3 GLN 100 far 0 84 0 - 8.7-12.8 HG3 GLU 92 - HB3 GLU 98 far 0 51 0 - 9.1-11.7 HB3 ASN 8 - HB2 GLU 66 far 0 92 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 5762 from cnoeabs.peaks (2.31, 2.04, 29.24 ppm; 2.68 A): 2 out of 14 assignments used, quality = 1.00: HG3 GLU 89 + HB2 GLU 89 OK 96 100 100 96 2.3-3.0 3.0=71, 5769/4.0=21...(24) * HG3 GLU 89 + HB3 GLU 89 OK 96 100 100 96 2.6-3.0 3.0=71, 5769/4.0=21...(24) HG2 GLU 92 - HB2 GLU 89 far 5 99 5 - 4.0-8.1 HG2 GLU 92 - HB3 GLU 89 far 0 99 0 - 4.3-7.4 HG3 GLU 87 - HB2 GLU 89 far 0 73 0 - 6.3-8.6 HG3 GLU 103 - HB3 GLU 98 far 0 39 0 - 6.4-9.9 HG2 GLU 87 - HB2 GLU 89 far 0 73 0 - 6.5-9.0 HG2 GLU 87 - HB3 GLN 85 far 0 69 0 - 6.8-11.5 HG3 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.8-10.0 HG3 GLU 87 - HB3 GLU 89 far 0 73 0 - 7.2-9.9 HG3 GLU 87 - HB3 GLN 85 far 0 69 0 - 7.4-11.4 HG2 GLU 87 - HB3 GLU 89 far 0 73 0 - 7.8-9.5 HG3 GLU 103 - HB3 GLN 100 far 0 73 0 - 9.5-11.7 HG2 GLU 92 - HB3 GLU 98 far 0 49 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5763 from cnoeabs.peaks (8.22, 2.26, 36.01 ppm; 3.71 A): 4 out of 5 assignments used, quality = 1.00: * H GLU 89 + HG2 GLU 89 OK 99 100 100 99 1.9-3.5 5769/1.8=77, 1588=47...(13) H GLU 111 + HG3 GLU 111 OK 87 89 100 98 2.0-4.3 6597/3.0=56, 6603/3.0=55...(8) H GLU 112 + HG3 GLU 111 OK 71 76 100 93 1.9-5.2 706/3.0=48, 7870/3.0=40...(11) H GLU 89 + HG3 GLU 92 OK 45 100 50 90 4.6-8.1 3.0/5749=32, 1588=30...(13) H ASP 84 - HG2 GLU 89 far 0 73 0 - 8.2-11.3 Violated in 0 structures by 0.00 A. Peak 5764 from cnoeabs.peaks (4.15, 2.26, 36.01 ppm; 3.64 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 89 + HG2 GLU 89 OK 100 100 100 100 2.4-4.2 3.8=89, 5750/1.8=39...(19) HA GLU 89 + HG3 GLU 92 OK 88 100 90 98 2.5-5.7 8180/5858=63...(9) HA LEU 70 - HG2 GLU 69 far 3 60 5 - 4.2-6.4 HA LEU 63 - HG2 GLU 69 far 0 63 0 - 7.2-11.1 HA ARG 95 - HG3 GLU 92 far 0 99 0 - 8.2-9.6 HA ALA 124 - HG2 GLU 103 far 0 63 0 - 8.7-11.7 HA ARG 95 - HG2 GLU 103 far 0 63 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 5765 from cnoeabs.peaks (2.04, 2.26, 36.01 ppm; 2.51 A): 4 out of 16 assignments used, quality = 1.00: * HB2 GLU 89 + HG2 GLU 89 OK 92 100 100 92 2.3-3.0 3.0=58, 1.8/5755=29...(18) HB3 GLU 89 + HG2 GLU 89 OK 92 100 100 92 2.3-3.0 3.0=58, 1.8/5755=29...(18) HB2 GLU 92 + HG3 GLU 92 OK 81 83 100 98 2.3-3.0 5858=67, 1.8/5864=54...(22) HB3 GLU 111 + HG3 GLU 111 OK 46 62 100 73 2.3-3.0 3.0=58, 3.0/6596=14...(6) HB2 GLU 66 - HG2 GLU 69 far 4 83 5 - 3.8-8.9 HB3 GLU 89 - HG3 GLU 92 far 0 100 0 - 4.5-6.8 HB2 GLU 92 - HG2 GLU 89 far 0 84 0 - 4.7-8.3 HB2 GLU 89 - HG3 GLU 92 far 0 100 0 - 4.9-7.3 HB3 GLN 100 - HG2 GLU 69 far 0 75 0 - 5.2-9.3 HB3 MET 67 - HG2 GLU 69 far 0 73 0 - 6.1-9.5 HB3 GLN 85 - HG2 GLU 89 far 0 100 0 - 6.6-10.2 HB3 GLU 98 - HG2 GLU 103 far 0 47 0 - 6.7-10.7 HB3 GLU 87 - HG2 GLU 89 far 0 100 0 - 6.8-9.1 HB3 GLU 87 - HG3 GLU 92 far 0 100 0 - 8.0-12.0 HB3 GLN 100 - HG2 GLU 103 far 0 57 0 - 8.7-12.8 HB3 GLU 98 - HG3 GLU 92 far 0 83 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 5766 from cnoeabs.peaks (2.04, 2.26, 36.01 ppm; 2.51 A): 4 out of 16 assignments used, quality = 1.00: HB2 GLU 89 + HG2 GLU 89 OK 92 100 100 92 2.3-3.0 3.0=58, 1.8/5755=29...(18) * HB3 GLU 89 + HG2 GLU 89 OK 92 100 100 92 2.3-3.0 3.0=58, 1.8/5755=29...(18) HB2 GLU 92 + HG3 GLU 92 OK 81 83 100 98 2.3-3.0 5858=67, 1.8/5864=54...(22) HB3 GLU 111 + HG3 GLU 111 OK 46 62 100 73 2.3-3.0 3.0=58, 3.0/6596=14...(6) HB2 GLU 66 - HG2 GLU 69 far 4 83 5 - 3.8-8.9 HB3 GLU 89 - HG3 GLU 92 far 0 100 0 - 4.5-6.8 HB2 GLU 92 - HG2 GLU 89 far 0 84 0 - 4.7-8.3 HB2 GLU 89 - HG3 GLU 92 far 0 100 0 - 4.9-7.3 HB3 GLN 100 - HG2 GLU 69 far 0 75 0 - 5.2-9.3 HB3 MET 67 - HG2 GLU 69 far 0 73 0 - 6.1-9.5 HB3 GLN 85 - HG2 GLU 89 far 0 100 0 - 6.6-10.2 HB3 GLU 98 - HG2 GLU 103 far 0 47 0 - 6.7-10.7 HB3 GLU 87 - HG2 GLU 89 far 0 100 0 - 6.8-9.1 HB3 GLU 87 - HG3 GLU 92 far 0 100 0 - 8.0-12.0 HB3 GLN 100 - HG2 GLU 103 far 0 57 0 - 8.7-12.8 HB3 GLU 98 - HG3 GLU 92 far 0 83 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * HG3 GLU 89 + HG2 GLU 89 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 92 + HG3 GLU 92 OK 98 98 100 100 1.8-1.8 1.8=100 HG3 GLU 103 + HG2 GLU 103 OK 49 49 100 100 1.8-1.8 1.8=100 HG2 GLU 92 - HG2 GLU 89 far 0 99 0 - 4.4-8.4 HG3 GLU 89 - HG3 GLU 92 far 0 100 0 - 5.2-8.7 HG3 GLU 87 - HG2 GLU 89 far 0 73 0 - 6.3-9.2 HG2 GLU 87 - HG2 GLU 89 far 0 73 0 - 6.4-8.9 HG2 GLU 87 - HG3 GLU 92 far 0 73 0 - 7.2-12.9 HG3 GLU 87 - HG3 GLU 92 far 0 73 0 - 7.3-12.0 HG3 GLU 13 - HG3 GLU 111 far 0 96 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. Peak 5769 from cnoeabs.peaks (8.22, 2.31, 36.01 ppm; 3.59 A): 1 out of 5 assignments used, quality = 0.97: * H GLU 89 + HG3 GLU 89 OK 97 100 100 97 2.0-3.4 1588/1.8=37...(15) H GLU 89 - HG2 GLU 92 far 5 97 5 - 5.0-7.3 H ILE 15 - HG3 GLU 13 far 0 69 0 - 5.9-7.4 H ASP 84 - HG3 GLU 89 far 0 73 0 - 7.6-10.5 H GLU 111 - HG3 GLU 13 far 0 95 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 5770 from cnoeabs.peaks (4.15, 2.31, 36.01 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 89 + HG3 GLU 89 OK 100 100 100 100 2.7-3.8 3.8=100 HA GLU 89 + HG2 GLU 92 OK 96 97 100 98 2.4-5.2 8180/3.0=62...(12) HA LEU 45 - HG3 GLU 48 lone 0 90 60 0 3.1-6.9 HA ARG 95 - HG2 GLU 92 far 0 97 0 - 8.2-10.1 HA ARG 95 - HG3 GLU 103 far 0 46 0 - 8.8-11.6 HA ALA 124 - HG3 GLU 103 far 0 46 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 5771 from cnoeabs.peaks (2.04, 2.31, 36.01 ppm; 2.40 A): 5 out of 18 assignments used, quality = 1.00: * HB2 GLU 89 + HG3 GLU 89 OK 91 100 100 91 2.3-3.0 3.0=51, 5755/1.8=27...(19) HB3 GLU 89 + HG3 GLU 89 OK 91 100 100 91 2.6-3.0 3.0=51, 5755/1.8=27...(19) HB2 GLU 92 + HG2 GLU 92 OK 75 78 100 96 2.3-3.0 3.0=51, 1.8/5863=47...(19) HB3 GLU 48 + HG3 GLU 48 OK 67 90 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 48 + HG3 GLU 48 OK 67 90 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 47 - HG3 GLU 48 far 0 60 0 - 4.0-7.6 HB2 GLU 89 - HG2 GLU 92 far 0 97 0 - 4.0-8.1 HB3 GLU 89 - HG2 GLU 92 far 0 97 0 - 4.3-7.4 HB2 GLU 92 - HG3 GLU 89 far 0 84 0 - 5.1-8.5 HB3 GLU 87 - HG3 GLU 89 far 0 100 0 - 6.4-8.8 HB3 GLU 98 - HG3 GLU 103 far 0 33 0 - 6.4-9.9 HB3 GLN 85 - HG3 GLU 89 far 0 100 0 - 6.8-10.0 HG3 GLU 52 - HG3 GLU 48 far 0 89 0 - 7.2-14.0 HB3 GLU 87 - HG2 GLU 92 far 0 97 0 - 8.8-11.1 HB2 MET 1 - HG3 GLU 48 far 0 78 0 - 9.1-17.6 HB3 GLU 111 - HG3 GLU 13 far 0 69 0 - 9.4-13.1 HB3 GLN 100 - HG3 GLU 103 far 0 41 0 - 9.5-11.7 HB3 GLU 98 - HG2 GLU 92 far 0 78 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5772 from cnoeabs.peaks (2.04, 2.31, 36.01 ppm; 2.40 A): 5 out of 18 assignments used, quality = 1.00: HB2 GLU 89 + HG3 GLU 89 OK 91 100 100 91 2.3-3.0 3.0=51, 5755/1.8=27...(19) * HB3 GLU 89 + HG3 GLU 89 OK 91 100 100 91 2.6-3.0 3.0=51, 5755/1.8=27...(19) HB2 GLU 92 + HG2 GLU 92 OK 75 78 100 96 2.3-3.0 3.0=51, 1.8/5863=47...(19) HB3 GLU 48 + HG3 GLU 48 OK 67 90 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 48 + HG3 GLU 48 OK 67 90 100 74 2.3-3.0 3.0=51, 4089/1.8=23...(5) HB2 GLU 47 - HG3 GLU 48 far 0 60 0 - 4.0-7.6 HB2 GLU 89 - HG2 GLU 92 far 0 97 0 - 4.0-8.1 HB3 GLU 89 - HG2 GLU 92 far 0 97 0 - 4.3-7.4 HB2 GLU 92 - HG3 GLU 89 far 0 84 0 - 5.1-8.5 HB3 GLU 87 - HG3 GLU 89 far 0 100 0 - 6.4-8.8 HB3 GLU 98 - HG3 GLU 103 far 0 33 0 - 6.4-9.9 HB3 GLN 85 - HG3 GLU 89 far 0 100 0 - 6.8-10.0 HG3 GLU 52 - HG3 GLU 48 far 0 89 0 - 7.2-14.0 HB3 GLU 87 - HG2 GLU 92 far 0 97 0 - 8.8-11.1 HB2 MET 1 - HG3 GLU 48 far 0 78 0 - 9.1-17.6 HB3 GLU 111 - HG3 GLU 13 far 0 69 0 - 9.4-13.1 HB3 GLN 100 - HG3 GLU 103 far 0 41 0 - 9.5-11.7 HB3 GLU 98 - HG2 GLU 92 far 0 78 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5773 from cnoeabs.peaks (2.26, 2.31, 36.01 ppm; 2.40 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 89 + HG3 GLU 89 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 92 + HG2 GLU 92 OK 97 97 100 100 1.8-1.8 1.8=100 HG2 GLU 103 + HG3 GLU 103 OK 42 42 100 100 1.8-1.8 1.8=100 HG2 GLU 89 - HG2 GLU 92 far 0 97 0 - 4.4-8.4 HG3 GLU 92 - HG3 GLU 89 far 0 100 0 - 5.2-8.7 HG3 GLU 111 - HG3 GLU 13 far 0 98 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. Peak 5774 from cnoeabs.peaks (2.31, 2.31, 36.01 ppm; diagonal): 5 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5778 from cnoeabs.peaks (1.72, 4.21, 56.94 ppm; 3.84 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + HA LEU 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 106 + HA LEU 90 OK 24 96 40 62 3.4-7.2 5785/3.0=19...(11) HB2 LYS 106 + HA LEU 90 OK 21 98 35 61 3.8-8.7 5813/5781=18...(11) HB3 LEU 82 - HA LEU 90 poor 12 81 60 24 4.3-7.0 9965/5811=13, 9965/3.9=9 HB3 LYS 94 - HA LEU 90 far 0 84 0 - 5.4-7.2 Violated in 0 structures by 0.00 A. Peak 5779 from cnoeabs.peaks (1.64, 4.21, 56.94 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 90 + HA LEU 90 OK 100 100 100 100 2.8-3.8 2.1/5804=87, 2.1/5781=87...(18) HB2 LEU 82 - HA LEU 90 poor 7 65 35 29 4.2-7.4 5814/5781=16...(3) HD3 LYS 65 - HA LEU 90 far 0 87 0 - 9.9-15.7 Violated in 0 structures by 0.00 A. Peak 5780 from cnoeabs.peaks (0.90, 4.21, 56.94 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + HA LEU 90 OK 100 100 100 100 1.9-3.8 5804=100, 2.1/5811=62...(19) QG2 VAL 104 - HA LEU 90 far 0 61 0 - 5.3-8.2 Violated in 10 structures by 0.26 A. Peak 5781 from cnoeabs.peaks (0.88, 4.21, 56.94 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 90 + HA LEU 90 OK 100 100 100 100 1.8-3.9 5811=90, 2.1/5804=65...(22) QG2 VAL 104 - HA LEU 90 far 0 100 0 - 5.3-8.2 QG2 VAL 107 - HA LEU 90 far 0 81 0 - 8.0-10.5 Violated in 8 structures by 0.19 A. Peak 5782 from cnoeabs.peaks (8.05, 1.78, 42.46 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 90 + HB2 LEU 90 OK 100 100 100 100 2.2-3.6 1592=100, 566/568=61...(12) H ASP 109 - HB2 LEU 90 far 0 90 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 5783 from cnoeabs.peaks (4.21, 1.78, 42.46 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 90 + HB2 LEU 90 OK 100 100 100 100 2.5-3.0 3.0=100 HB THR 108 - HB2 LEU 90 far 0 84 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + HB2 LEU 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 106 + HB2 LEU 90 OK 52 96 65 83 2.8-5.3 ~11568=15, 5806/5805=15...(24) HB2 LYS 106 + HB2 LEU 90 OK 37 98 45 83 3.0-6.6 ~11568=15, 5813/3.1=14...(23) HB3 LYS 94 - HB2 LEU 90 far 0 84 0 - 5.8-7.6 HB3 LEU 82 - HB2 LEU 90 far 0 81 0 - 5.8-8.4 Violated in 0 structures by 0.00 A. Peak 5786 from cnoeabs.peaks (1.64, 1.78, 42.46 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 90 + HB2 LEU 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 82 - HB2 LEU 90 far 0 65 0 - 5.9-9.3 Violated in 0 structures by 0.00 A. Peak 5787 from cnoeabs.peaks (0.90, 1.78, 42.46 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + HB2 LEU 90 OK 100 100 100 100 2.2-3.2 3.1=100 QG2 VAL 104 - HB2 LEU 90 far 0 61 0 - 6.1-9.1 Violated in 0 structures by 0.00 A. Peak 5788 from cnoeabs.peaks (0.88, 1.78, 42.46 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 90 + HB2 LEU 90 OK 100 100 100 100 2.1-3.2 3.1=100 QG2 VAL 104 - HB2 LEU 90 far 0 100 0 - 6.1-9.1 QG2 VAL 107 - HB2 LEU 90 far 0 81 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 5789 from cnoeabs.peaks (8.05, 1.72, 42.46 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 90 + HB3 LEU 90 OK 100 100 100 100 2.4-3.6 4.0=100 H ASP 109 - HB3 LEU 90 far 0 90 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 5790 from cnoeabs.peaks (4.21, 1.72, 42.46 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 90 + HB3 LEU 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB THR 108 - HB3 LEU 90 far 0 84 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG LEU 90 + HB3 LEU 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 82 - HB3 LEU 90 far 7 65 10 - 5.1-9.5 Violated in 0 structures by 0.00 A. Peak 5794 from cnoeabs.peaks (0.90, 1.72, 42.46 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + HB3 LEU 90 OK 100 100 100 100 2.2-3.2 3.1=100 QG2 VAL 104 - HB3 LEU 90 far 0 61 0 - 5.2-8.6 Violated in 0 structures by 0.00 A. Peak 5795 from cnoeabs.peaks (0.88, 1.72, 42.46 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 90 + HB3 LEU 90 OK 100 100 100 100 2.1-3.2 3.1=100 QG2 VAL 104 - HB3 LEU 90 far 0 100 0 - 5.2-8.6 QG2 VAL 107 - HB3 LEU 90 far 0 81 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 5796 from cnoeabs.peaks (8.05, 1.64, 26.77 ppm; 3.87 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 90 + HG LEU 90 OK 100 100 100 100 2.3-4.6 1594=81, 1595/2.1=64...(10) H LYS 65 + HG LEU 64 OK 89 92 100 96 3.1-4.6 397/2.1=42, 396/2.1=39...(12) H THR 9 - HG LEU 64 far 0 99 0 - 6.2-8.9 H VAL 22 - HG LEU 114 far 0 62 0 - 6.9-10.0 H ASP 109 - HG LEU 114 far 0 60 0 - 8.0-11.7 H ASP 109 - HG LEU 90 far 0 90 0 - 8.0-10.9 H THR 9 - HG LEU 114 far 0 72 0 - 9.2-12.2 Violated in 4 structures by 0.01 A. Peak 5797 from cnoeabs.peaks (4.21, 1.64, 26.77 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 90 + HG LEU 90 OK 100 100 100 100 2.8-3.8 4.3=100 HB THR 108 - HG LEU 90 far 0 84 0 - 6.5-10.1 Violated in 0 structures by 0.00 A. Peak 5798 from cnoeabs.peaks (1.78, 1.64, 26.77 ppm; 2.93 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 90 + HG LEU 90 OK 100 100 100 100 2.3-3.0 3.0=96, 5805/2.1=57...(15) HB2 LEU 64 + HG LEU 64 OK 82 82 100 100 2.3-3.0 3.0=96, 4781/2.1=39...(19) HG12 ILE 18 + HG LEU 114 OK 22 60 45 83 2.2-5.7 11629/2.1=50...(9) HB VAL 32 - HG LEU 64 far 0 99 0 - 8.2-9.9 HB2 LYS 19 - HG LEU 114 far 0 57 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 5799 from cnoeabs.peaks (1.72, 1.64, 26.77 ppm; 3.12 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LEU 90 + HG LEU 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 106 + HG LEU 90 OK 63 98 75 85 2.5-6.9 ~11568=21, 5813/2.1=17...(17) HB2 LEU 114 + HG LEU 114 OK 55 55 100 100 2.3-3.0 3.0=100 HB3 LYS 106 + HG LEU 90 OK 53 96 65 86 2.2-5.6 ~11568=21, 5806/2.1=18...(17) HB3 LYS 94 - HG LEU 90 far 13 84 15 - 3.9-8.8 HB3 LEU 82 - HG LEU 90 far 4 81 5 - 4.3-8.1 HG2 ARG 118 - HG LEU 114 far 0 68 0 - 5.8-9.4 HB3 LEU 82 - HG LEU 64 far 0 79 0 - 5.9-9.5 HG12 ILE 15 - HG LEU 114 far 0 71 0 - 7.9-11.1 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QD1 LEU 90 + HG LEU 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 104 - HG LEU 90 far 0 61 0 - 5.7-9.6 QG2 VAL 104 - HG LEU 64 far 0 60 0 - 5.9-7.9 QD1 LEU 70 - HG LEU 64 far 0 99 0 - 7.7-9.8 QD1 LEU 90 - HG LEU 64 far 0 99 0 - 7.9-13.1 QD2 LEU 38 - HG LEU 64 far 0 79 0 - 8.4-10.2 QG2 VAL 29 - HG LEU 114 far 0 68 0 - 8.8-12.7 QD2 LEU 70 - HG LEU 64 far 0 99 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 5802 from cnoeabs.peaks (0.88, 1.64, 26.77 ppm; 3.07 A): 1 out of 13 assignments used, quality = 1.00: * QD2 LEU 90 + HG LEU 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 117 - HG LEU 114 poor 11 44 25 - 4.0-5.2 QG2 VAL 107 - HG LEU 114 far 0 52 0 - 5.3-8.9 QG2 THR 9 - HG LEU 114 far 0 38 0 - 5.7-8.6 QG2 VAL 104 - HG LEU 90 far 0 100 0 - 5.7-9.6 QG2 VAL 104 - HG LEU 64 far 0 99 0 - 5.9-7.9 QG2 VAL 107 - HG LEU 90 far 0 81 0 - 6.2-8.5 QG2 THR 9 - HG LEU 64 far 0 60 0 - 6.9-9.4 QG1 VAL 32 - HG LEU 64 far 0 75 0 - 7.8-9.3 QD2 LEU 38 - HG LEU 64 far 0 96 0 - 8.4-10.2 QD2 LEU 90 - HG LEU 64 far 0 99 0 - 8.6-11.5 QG2 VAL 29 - HG LEU 114 far 0 52 0 - 8.8-12.7 QG2 VAL 117 - HG LEU 64 far 0 68 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 5803 from cnoeabs.peaks (8.05, 0.90, 24.86 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 90 + QD1 LEU 90 OK 100 100 100 100 3.6-4.2 1595=100, 3.0/5804=77...(12) H ASP 109 - QD1 LEU 90 far 4 90 5 - 5.4-9.7 H THR 9 - QD1 LEU 90 far 0 100 0 - 8.2-11.6 H LYS 65 - QD1 LEU 90 far 0 94 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 5804 from cnoeabs.peaks (4.21, 0.90, 24.86 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 90 + QD1 LEU 90 OK 100 100 100 100 1.9-3.8 5780=100, 5781/2.1=65...(19) HB THR 108 - QD1 LEU 90 far 8 84 10 - 4.3-9.2 Violated in 10 structures by 0.26 A. Peak 5805 from cnoeabs.peaks (1.78, 0.90, 24.86 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 90 + QD1 LEU 90 OK 100 100 100 100 2.2-3.2 3.1=96, 3.0/5804=45...(16) HB2 LEU 64 - QD1 LEU 90 far 0 84 0 - 8.6-13.1 Violated in 9 structures by 0.03 A. Peak 5806 from cnoeabs.peaks (1.72, 0.90, 24.86 ppm; 2.96 A): 5 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + QD1 LEU 90 OK 99 100 100 99 2.2-3.2 3.1=85, 1.8/5805=64...(12) HB3 LYS 106 + QD1 LEU 90 OK 84 96 100 87 1.8-4.4 2.9/11568=38...(18) HB2 LYS 106 + QD1 LEU 90 OK 72 98 85 87 1.8-5.6 2.9/11568=38...(17) HB3 LEU 82 + QD1 LEU 90 OK 25 81 50 62 1.9-7.5 3.0/10973=16...(11) HB3 LYS 94 + QD1 LEU 90 OK 23 84 40 68 3.0-7.2 3.0/10101=34...(12) Violated in 0 structures by 0.00 A. Peak 5807 from cnoeabs.peaks (1.64, 0.90, 24.86 ppm; 2.90 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 90 + QD1 LEU 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 82 - QD1 LEU 90 poor 16 65 45 53 2.5-6.2 3.0/10973=16...(10) HD3 LYS 65 - QD1 LEU 90 far 0 87 0 - 7.5-16.5 HG LEU 64 - QD1 LEU 90 far 0 100 0 - 7.9-13.1 HB ILE 116 - QD1 LEU 90 far 0 94 0 - 8.2-9.7 HD2 LYS 65 - QD1 LEU 90 far 0 77 0 - 8.2-17.3 HB3 LEU 64 - QD1 LEU 90 far 0 92 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * QD2 LEU 90 + QD1 LEU 90 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 104 - QD1 LEU 90 far 0 100 0 - 3.9-7.9 QG2 VAL 107 - QD1 LEU 90 far 0 81 0 - 4.5-7.3 QG2 THR 9 - QD1 LEU 90 far 0 61 0 - 7.9-10.3 QG2 VAL 117 - QD1 LEU 90 far 0 70 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 5810 from cnoeabs.peaks (8.05, 0.88, 24.74 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 90 + QD2 LEU 90 OK 100 100 100 100 2.7-4.3 1596=100, 3.0/5781=80...(13) H ASP 109 - QD2 LEU 90 far 0 90 0 - 6.4-7.9 H THR 9 - QD2 LEU 90 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 5811 from cnoeabs.peaks (4.21, 0.88, 24.74 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 90 + QD2 LEU 90 OK 100 100 100 100 1.8-3.9 5781=100, 5780/2.1=69...(22) HB THR 108 - QD2 LEU 90 far 0 84 0 - 5.5-7.3 Violated in 8 structures by 0.14 A. Peak 5812 from cnoeabs.peaks (1.78, 0.88, 24.74 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 90 + QD2 LEU 90 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 64 - QD2 LEU 90 far 0 84 0 - 9.9-11.3 Violated in 9 structures by 0.02 A. Peak 5813 from cnoeabs.peaks (1.72, 0.88, 24.74 ppm; 3.04 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + QD2 LEU 90 OK 99 100 100 99 2.1-3.2 3.1=92, 3.0/5781=44...(13) HB3 LYS 106 + QD2 LEU 90 OK 83 96 95 92 2.0-4.6 2.9/10288=23...(21) HB2 LYS 106 + QD2 LEU 90 OK 81 98 90 91 1.9-5.4 2.9/10288=23...(20) HB3 LEU 82 + QD2 LEU 90 OK 42 81 90 58 2.4-5.1 1.8/9967=19...(10) HB3 LYS 94 - QD2 LEU 90 far 4 84 5 - 4.5-6.9 Violated in 0 structures by 0.00 A. Peak 5814 from cnoeabs.peaks (1.64, 0.88, 24.74 ppm; 2.91 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 90 + QD2 LEU 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 82 + QD2 LEU 90 OK 27 65 95 43 2.6-5.8 1.8/9965=11, 9967=9...(9) HB ILE 116 - QD2 LEU 90 far 0 94 0 - 7.8-8.9 HG LEU 64 - QD2 LEU 90 far 0 100 0 - 8.6-11.5 HD3 LYS 65 - QD2 LEU 90 far 0 87 0 - 9.2-14.1 HB3 LEU 64 - QD2 LEU 90 far 0 92 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 5815 from cnoeabs.peaks (0.90, 0.88, 24.74 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + QD2 LEU 90 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 104 - QD2 LEU 90 far 0 61 0 - 4.5-6.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-2.8 2.9=100 HD21 ASN 33 - HA GLU 37 far 0 59 0 - 6.4-9.8 H GLY 101 - HA LYS 96 far 0 67 0 - 7.3-8.2 H GLY 75 - HA LYS 43 far 0 20 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 5818 from cnoeabs.peaks (4.07, 4.07, 59.13 ppm; diagonal): 4 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 8 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.9-3.0 3.0=89, 1.8/5830=64...(15) HG2 GLU 41 - HA GLU 37 poor 13 53 25 - 4.2-6.5 HB2 LEU 38 - HA GLU 37 far 0 48 0 - 5.5-5.6 HB3 GLU 92 - HA GLU 91 far 0 65 0 - 5.6-6.6 HB3 GLU 47 - HA LYS 43 far 0 20 0 - 5.6-6.8 HB3 GLU 92 - HA LYS 96 far 0 39 0 - 6.9-9.2 HG2 GLU 41 - HA LYS 43 far 0 28 0 - 8.3-9.8 HB2 GLU 91 - HA LYS 96 far 0 70 0 - 9.8-10.9 Violated in 20 structures by 0.11 A. Peak 5820 from cnoeabs.peaks (2.07, 4.07, 59.13 ppm; 2.78 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 99 100 100 99 2.4-2.7 5830=81, 3.0/5821=37...(16) HB2 LYS 94 + HA GLU 91 OK 84 100 100 84 1.8-4.0 1.8/8195=34, 8194=26...(14) HB3 GLU 98 - HA LYS 96 far 0 44 0 - 5.2-6.3 HB2 GLU 92 - HA GLU 91 far 0 73 0 - 5.5-6.6 HB3 GLU 98 - HA GLU 91 far 0 73 0 - 6.4-8.2 HB2 GLU 47 - HA LYS 43 far 0 23 0 - 7.1-7.9 HB2 GLU 92 - HA LYS 96 far 0 44 0 - 7.1-9.0 HB2 LYS 94 - HA LYS 96 far 0 70 0 - 7.4-8.3 HB3 GLU 91 - HA LYS 96 far 0 70 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 5821 from cnoeabs.peaks (2.42, 4.07, 59.13 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.1-3.5 3.0/5819=56, 1.8/5822=55...(15) Violated in 1 structures by 0.02 A. Peak 5822 from cnoeabs.peaks (2.29, 4.07, 59.13 ppm; 3.11 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 91 + HA GLU 91 OK 99 100 100 99 2.1-3.9 1.8/5821=65...(13) HB2 GLU 37 + HA GLU 37 OK 32 32 100 100 2.4-2.9 3.0=100 HG2 GLU 47 - HA LYS 43 poor 7 28 25 - 4.3-7.4 HG3 GLU 87 - HA GLU 91 far 0 96 0 - 5.2-9.4 HG2 GLU 87 - HA GLU 91 far 0 96 0 - 6.5-9.8 HG2 GLU 69 - HA LYS 96 far 0 49 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 5823 from cnoeabs.peaks (7.94, 2.13, 28.97 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.1-2.8 1599=100, 5829/1.8=67...(14) H GLY 125 - HB3 GLU 119 far 0 69 0 - 8.5-9.1 H GLY 125 - HB2 GLU 119 far 0 81 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 5824 from cnoeabs.peaks (4.07, 2.13, 28.97 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 96 - HB2 GLU 91 far 0 96 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. 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): 3 out of 13 assignments used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 119 + HB2 GLU 119 OK 78 85 100 92 2.5-3.0 3.0=51, 6928/1.8=27...(18) HG2 GLU 119 + HB3 GLU 119 OK 67 72 100 92 2.5-3.0 3.0=51, 6927/1.8=27...(18) HB2 GLU 92 - HB2 GLU 91 far 0 73 0 - 4.3-6.2 HB2 LYS 94 - HB2 GLU 91 far 0 100 0 - 4.6-6.8 HB3 MET 121 - HB2 GLU 119 far 0 83 0 - 6.4-8.3 HB3 PHE 79 - HB2 GLU 119 far 0 86 0 - 6.6-7.5 HB3 MET 121 - HB3 GLU 119 far 0 71 0 - 6.6-8.7 HB3 PHE 79 - HB3 GLU 119 far 0 74 0 - 7.0-8.3 HB2 GLU 103 - HB3 GLU 119 far 0 44 0 - 8.2-10.8 HB2 GLU 103 - HB2 GLU 119 far 0 53 0 - 8.3-10.5 HB3 GLU 98 - HB2 GLU 91 far 0 73 0 - 8.8-10.7 HB3 GLU 112 - HB2 GLU 119 far 0 67 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 5827 from cnoeabs.peaks (2.42, 2.13, 28.97 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 122 - HB3 GLU 119 poor 17 64 60 45 4.1-6.2 ~10605=20, 10608/3.0=13...(6) HG2 GLN 122 - HB2 GLU 119 far 0 76 0 - 4.7-6.6 Violated in 0 structures by 0.00 A. Peak 5828 from cnoeabs.peaks (2.29, 2.13, 28.97 ppm; 2.87 A): 1 out of 5 assignments used, quality = 0.97: * HG3 GLU 91 + HB2 GLU 91 OK 97 100 100 97 2.2-3.0 3.0=88, 5822/5819=32...(10) HG3 GLU 87 - HB2 GLU 91 far 14 96 15 - 4.1-7.4 HG2 GLU 87 - HB2 GLU 91 far 0 96 0 - 4.6-8.6 HB2 MET 121 - HB2 GLU 119 far 0 89 0 - 7.0-8.3 HB2 MET 121 - HB3 GLU 119 far 0 77 0 - 7.1-8.5 Violated in 2 structures by 0.01 A. Peak 5829 from cnoeabs.peaks (7.94, 2.07, 28.97 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HB3 GLU 91 OK 100 100 100 100 3.5-3.6 1599/1.8=80, 1600=61...(12) Violated in 20 structures by 0.15 A. Peak 5830 from cnoeabs.peaks (4.07, 2.07, 28.97 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.4-2.7 3.0=97, 5819/1.8=70...(19) HA LYS 96 - HB3 GLU 91 far 0 96 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 5831 from cnoeabs.peaks (2.13, 2.07, 28.97 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 91 + HB3 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 107 - HB3 GLU 112 poor 19 35 55 - 2.8-5.3 HG3 GLN 83 - HB3 GLU 112 far 0 37 0 - 4.9-9.0 HB3 GLU 92 - HB3 GLU 91 far 0 65 0 - 4.9-6.6 HG3 GLN 83 - HB2 GLU 13 far 0 56 0 - 8.1-10.7 HG2 GLU 21 - HB2 GLU 13 far 0 32 0 - 8.8-12.1 HB2 GLU 119 - HB3 GLU 112 far 0 37 0 - 9.2-11.4 HB2 GLU 21 - HB2 GLU 13 far 0 54 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 5832 from cnoeabs.peaks (2.07, 2.07, 28.97 ppm; diagonal): 3 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 5 assignments used, quality = 1.00: * HG2 GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ASP 110 - HB2 GLU 13 lone 0 63 65 0 3.4-5.4 HB2 ASP 110 - HB3 GLU 112 far 0 41 0 - 7.1-8.9 HG2 GLN 85 - HB3 GLU 112 far 0 34 0 - 9.0-12.7 HG3 GLN 85 - HB3 GLU 112 far 0 31 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 5834 from cnoeabs.peaks (2.29, 2.07, 28.97 ppm; 2.75 A): 1 out of 7 assignments used, quality = 0.94: * HG3 GLU 91 + HB3 GLU 91 OK 94 100 100 94 2.6-3.0 3.0=77, 5822/5830=29...(10) HG3 GLU 111 - HB3 GLU 112 far 3 21 15 - 4.1-8.3 HG2 GLU 111 - HB3 GLU 112 far 2 41 5 - 4.2-8.3 HG3 GLU 87 - HB3 GLU 91 far 0 96 0 - 5.3-9.0 HG2 GLU 87 - HB3 GLU 91 far 0 96 0 - 6.0-9.9 HG2 GLU 111 - HB2 GLU 13 far 0 63 0 - 6.5-10.5 HG3 GLU 111 - HB2 GLU 13 far 0 34 0 - 7.0-10.8 Violated in 12 structures by 0.13 A. Peak 5835 from cnoeabs.peaks (7.94, 2.42, 35.05 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 1.9-3.9 1601=100, 1599/3.0=84...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.5 4.2=100 Violated in 0 structures by 0.00 A. Peak 5837 from cnoeabs.peaks (2.13, 2.42, 35.05 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 92 - HG2 GLU 91 far 0 65 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 5838 from cnoeabs.peaks (2.07, 2.42, 35.05 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 94 + HG2 GLU 91 OK 42 100 70 59 4.0-6.4 8194/5821=36...(6) HB2 GLU 92 - HG2 GLU 91 far 0 73 0 - 6.1-8.5 HB3 GLU 98 - HG2 GLU 91 far 0 73 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 87 - HG2 GLU 91 far 14 96 15 - 3.3-8.1 HG2 GLU 87 - HG2 GLU 91 far 0 96 0 - 4.8-8.2 Violated in 0 structures by 0.00 A. Peak 5841 from cnoeabs.peaks (7.94, 2.29, 35.05 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-3.7 1602=92, 1601/1.8=91...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.9 4.2=100 Violated in 0 structures by 0.00 A. Peak 5843 from cnoeabs.peaks (2.13, 2.29, 35.05 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 92 - HG3 GLU 91 far 0 65 0 - 6.0-8.3 Violated in 0 structures by 0.00 A. Peak 5844 from cnoeabs.peaks (2.07, 2.29, 35.05 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 94 + HG3 GLU 91 OK 23 100 35 65 3.6-7.5 8194/4.2=32, 5838/1.8=22...(7) HB2 GLU 92 - HG3 GLU 91 far 0 73 0 - 6.2-8.2 HB3 GLU 98 - HG3 GLU 91 far 0 73 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H GLU 92 + HA GLU 92 OK 100 100 100 100 2.7-2.7 3.0=100 H PHE 93 + HA GLU 92 OK 77 77 100 100 3.6-3.6 3.6=100 H GLU 128 - HA LYS 123 far 0 92 0 - 7.0-8.1 H SER 99 - HA GLU 92 far 0 90 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. 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): 4 out of 12 assignments used, quality = 1.00: * HB2 GLU 92 + HA GLU 92 OK 99 100 100 99 2.3-3.0 3.0=76, 581/3.6=32...(37) HB2 GLU 66 + HA GLU 66 OK 67 67 100 100 2.3-3.0 3.0=76, 1.8/8135=61...(27) HB2 GLU 13 + HA GLU 13 OK 51 52 100 99 2.3-2.7 3.0=76, 3.0/2625=33...(22) HB3 GLU 91 + HA GLU 92 OK 25 73 50 68 3.9-4.6 7765/3.0=22, ~7764=17...(11) HB2 LYS 94 - HA GLU 92 far 0 70 0 - 5.0-6.8 HB3 MET 67 - HA GLU 66 far 0 85 0 - 5.6-6.6 HB2 GLU 89 - HA GLU 92 far 0 84 0 - 6.9-8.3 HB3 GLU 89 - HA GLU 92 far 0 84 0 - 6.9-8.0 HB VAL 117 - HA GLU 119 far 0 55 0 - 7.2-7.3 HB3 GLU 98 - HA GLU 92 far 0 100 0 - 7.4-9.4 HB3 GLN 100 - HA GLU 66 far 0 84 0 - 8.8-10.8 HB3 GLU 87 - HA GLU 92 far 0 84 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 5850 from cnoeabs.peaks (2.11, 4.03, 59.25 ppm; 2.70 A): 4 out of 17 assignments used, quality = 1.00: * HB3 GLU 92 + HA GLU 92 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/5854=38...(37) HB3 GLU 66 + HA GLU 66 OK 63 64 100 98 2.7-3.0 3.0=73, 3.0/4902=32...(25) HB3 GLU 119 + HA GLU 119 OK 52 53 100 97 2.3-2.7 3.0=73, 3.0/6932=32...(24) HB2 GLU 119 + HA GLU 119 OK 47 49 100 97 3.0-3.0 3.0=73, 3.0/6932=32...(24) HB2 GLU 91 - HA GLU 92 poor 16 65 25 - 3.9-4.7 HB3 GLU 69 - HA GLU 66 far 3 51 5 - 4.2-5.1 HB3 GLU 119 - HA LYS 123 far 0 88 0 - 6.1-7.0 HB2 GLU 119 - HA LYS 123 far 0 82 0 - 7.2-8.4 HB2 LEU 38 - HA GLU 66 far 0 81 0 - 7.7-9.1 HB2 GLU 87 - HA GLU 92 far 0 84 0 - 8.9-11.0 HG3 GLU 21 - HA GLU 13 far 0 63 0 - 9.1-12.5 HB2 GLU 111 - HA GLU 13 far 0 58 0 - 9.3-12.7 HG2 GLU 21 - HA GLU 13 far 0 64 0 - 9.4-12.7 HG3 GLU 21 - HA GLU 119 far 0 58 0 - 9.4-12.2 HB2 GLU 21 - HA GLU 119 far 0 50 0 - 9.4-12.5 HG3 GLN 83 - HA GLU 13 far 0 54 0 - 9.8-12.0 HB2 GLU 21 - HA GLU 13 far 0 56 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 5851 from cnoeabs.peaks (2.32, 4.03, 59.25 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 92 + HA GLU 92 OK 100 100 100 100 2.1-3.9 5868/3.0=68, 4.0=63...(25) HG3 GLU 13 + HA GLU 13 OK 60 61 100 100 2.3-3.8 1.8/2625=71, 2633/3.0=66...(15) HG3 GLU 89 - HA GLU 92 far 0 99 0 - 7.9-9.3 HG3 GLU 103 - HA GLU 119 far 0 53 0 - 9.7-13.5 HG3 GLU 103 - HA LYS 123 far 0 88 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 5852 from cnoeabs.peaks (2.27, 4.03, 59.25 ppm; 3.11 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 92 + HA GLU 92 OK 100 100 100 100 2.6-3.5 5872=63, 5858/3.0=56...(27) HG2 GLU 69 + HA GLU 66 OK 55 79 95 73 1.9-6.1 5017/8133=38, 5872=37 HG2 GLU 89 - HA GLU 92 far 0 100 0 - 7.6-9.4 HG2 GLU 103 - HA LYS 123 far 0 84 0 - 8.5-12.2 HG2 GLU 103 - HA GLU 119 far 0 50 0 - 9.3-13.5 HG3 GLU 111 - HA GLU 13 far 0 63 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 5853 from cnoeabs.peaks (8.09, 2.05, 28.93 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 92 + HB2 GLU 92 OK 100 100 100 100 2.2-3.6 4.0=58, 1608/5858=51...(22) H PHE 93 + HB2 GLU 92 OK 75 77 100 97 2.1-3.7 581=70, 582/1.8=54...(9) H SER 99 - HB3 GLN 100 poor 12 46 25 - 4.2-6.5 H SER 99 - HB2 GLU 92 far 0 90 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 5854 from cnoeabs.peaks (4.03, 2.05, 28.93 ppm; 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 92 + HB2 GLU 92 OK 100 100 100 100 2.3-3.0 3.0=93, 3.6/581=37...(45) HA GLU 13 + HB2 GLU 13 OK 50 50 100 100 2.3-2.7 3.0=93, 2609/1.8=64...(24) HA GLU 87 - HB2 GLU 92 far 0 100 0 - 7.3-10.2 HA GLU 66 - HB3 GLN 100 far 0 54 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 5855 from cnoeabs.peaks (2.05, 2.05, 28.93 ppm; diagonal): 3 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 9 assignments used, quality = 1.00: * HB3 GLU 92 + HB2 GLU 92 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 91 - HB2 GLU 92 far 0 65 0 - 4.3-6.2 HB3 GLU 69 - HB3 GLN 100 far 0 31 0 - 6.1-9.1 HB2 GLU 111 - HB2 GLU 13 far 0 48 0 - 6.8-10.6 HB2 GLU 87 - HB2 GLU 92 far 0 84 0 - 7.9-11.1 HG3 GLN 83 - HB2 GLU 13 far 0 44 0 - 8.1-10.7 HG3 GLU 21 - HB2 GLU 13 far 0 53 0 - 8.3-11.8 HG2 GLU 21 - HB2 GLU 13 far 0 53 0 - 8.8-12.1 HB2 GLU 21 - HB2 GLU 13 far 0 46 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 5857 from cnoeabs.peaks (2.32, 2.05, 28.93 ppm; 2.70 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 92 + HB2 GLU 92 OK 99 100 100 99 2.3-3.0 3.0=73, 5868/1.8=70...(31) HG3 GLU 13 + HB2 GLU 13 OK 50 50 100 99 2.6-3.0 3.0=74, 2633/1.8=67...(17) HG3 GLU 89 - HB2 GLU 92 far 0 99 0 - 5.1-8.5 HG3 GLU 103 - HB3 GLN 100 far 0 53 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 5858 from cnoeabs.peaks (2.27, 2.05, 28.93 ppm; 2.64 A): 1 out of 5 assignments used, quality = 0.99: * HG3 GLU 92 + HB2 GLU 92 OK 99 100 100 99 2.3-3.0 3.0=68, ~5868=33...(33) HG2 GLU 89 - HB2 GLU 92 far 0 100 0 - 4.7-8.3 HG2 GLU 69 - HB3 GLN 100 far 0 52 0 - 5.2-9.3 HG3 GLU 111 - HB2 GLU 13 far 0 52 0 - 7.0-10.8 HG2 GLU 103 - HB3 GLN 100 far 0 50 0 - 8.7-12.8 Violated in 5 structures by 0.08 A. Peak 5859 from cnoeabs.peaks (8.09, 2.11, 28.93 ppm; 3.31 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 92 + HB3 GLU 92 OK 99 100 100 99 2.2-3.6 1606=61, 1608/5864=49...(18) H PHE 93 + HB3 GLU 92 OK 74 77 100 96 2.2-3.4 582=70, 581/1.8=56...(8) H SER 99 - HB3 GLU 92 far 0 90 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 5860 from cnoeabs.peaks (4.03, 2.11, 28.93 ppm; 2.87 A): 5 out of 10 assignments used, quality = 1.00: * HA GLU 92 + HB3 GLU 92 OK 100 100 100 100 2.5-3.0 3.0=87, 5854/1.8=43...(44) HA GLU 119 + HB3 GLU 119 OK 90 90 100 99 2.3-2.7 3.0=87, 6932/3.0=36...(24) HA GLU 119 + HB2 GLU 119 OK 79 79 100 99 3.0-3.0 3.0=87, 6932/3.0=36...(24) HA PHE 120 + HB2 GLU 119 OK 27 70 60 63 4.0-4.7 3.0/758=17, ~758=10...(12) HA PHE 120 + HB3 GLU 119 OK 26 81 50 63 4.0-4.7 3.0/758=18, ~757=10...(12) HA LYS 123 - HB3 GLU 119 far 0 87 0 - 6.1-7.0 HA LYS 123 - HB2 GLU 119 far 0 76 0 - 7.2-8.4 HA GLU 87 - HB3 GLU 92 far 0 100 0 - 7.5-10.1 HB2 SER 126 - HB3 GLU 119 far 0 84 0 - 9.3-11.8 HB3 SER 126 - HB3 GLU 119 far 0 92 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 5861 from cnoeabs.peaks (2.05, 2.11, 28.93 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 92 + HB3 GLU 92 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 89 - HB3 GLU 92 far 0 84 0 - 4.3-7.1 HB2 GLU 89 - HB3 GLU 92 far 0 84 0 - 4.4-7.4 HB3 GLU 91 - HB3 GLU 92 far 0 73 0 - 4.9-6.6 HB2 LYS 94 - HB3 GLU 92 far 0 70 0 - 5.9-8.5 HB VAL 117 - HB2 GLU 119 far 0 78 0 - 6.3-6.8 HB VAL 117 - HB3 GLU 119 far 0 89 0 - 7.7-8.2 HB3 GLU 98 - HB3 GLU 92 far 0 100 0 - 9.2-11.0 HB3 GLU 87 - HB3 GLU 92 far 0 84 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. 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): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 92 + HB3 GLU 92 OK 100 100 100 100 2.3-2.7 5868=96, 1.8/5864=68...(39) HG3 GLU 89 - HB3 GLU 92 far 0 99 0 - 5.6-8.4 HG3 GLU 103 - HB2 GLU 119 far 0 76 0 - 7.1-11.6 HG3 GLU 103 - HB3 GLU 119 far 0 87 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 5864 from cnoeabs.peaks (2.27, 2.11, 28.93 ppm; 2.76 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 92 + HB3 GLU 92 OK 100 100 100 100 2.7-3.0 3.0=78, 1.8/5868=72...(35) HG2 GLU 89 - HB3 GLU 92 far 0 100 0 - 5.2-8.4 HG2 GLU 103 - HB3 GLU 119 far 0 84 0 - 7.0-11.1 HG2 GLU 103 - HB2 GLU 119 far 0 73 0 - 7.2-11.9 Violated in 15 structures by 0.18 A. Peak 5865 from cnoeabs.peaks (8.09, 2.32, 36.01 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 92 + HG2 GLU 92 OK 100 100 100 100 3.0-3.9 1607=91, 1608/1.8=75...(22) H PHE 93 + HG2 GLU 92 OK 74 77 100 97 1.9-4.7 582/5868=52, 581/3.0=49...(8) H GLU 92 - HG3 GLU 89 far 0 97 0 - 5.6-7.1 H PHE 93 - HG3 GLU 89 far 0 72 0 - 6.3-8.4 H SER 99 - HG3 GLU 103 far 0 51 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 5866 from cnoeabs.peaks (4.03, 2.32, 36.01 ppm; 3.07 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 92 + HG2 GLU 92 OK 100 100 100 100 2.1-3.9 3.0/5868=57, 4.0=46...(25) HA GLU 13 + HG3 GLU 13 OK 92 92 100 100 2.3-3.8 2625/1.8=57, 2611=52...(15) HA GLU 87 - HG3 GLU 89 far 0 97 0 - 4.8-7.3 HA PHE 120 - HG3 GLU 103 far 0 53 0 - 6.2-10.3 HA GLU 92 - HG3 GLU 89 far 0 97 0 - 7.9-9.3 HA GLU 87 - HG2 GLU 92 far 0 100 0 - 8.0-9.8 HA LYS 40 - HG3 GLU 48 far 0 90 0 - 8.7-11.9 HA GLU 119 - HG3 GLU 103 far 0 61 0 - 9.7-13.5 HA LYS 123 - HG3 GLU 103 far 0 58 0 - 9.7-12.7 Violated in 2 structures by 0.01 A. Peak 5867 from cnoeabs.peaks (2.05, 2.32, 36.01 ppm; 2.40 A): 6 out of 22 assignments used, quality = 1.00: * HB2 GLU 92 + HG2 GLU 92 OK 97 100 100 97 2.3-3.0 5858/1.8=53, 3.0=51...(19) HB2 GLU 13 + HG3 GLU 13 OK 79 82 100 97 2.6-3.0 3.0=52, 1.8/2633=50...(16) HB2 GLU 89 + HG3 GLU 89 OK 70 78 100 90 2.3-3.0 3.0=51, 1.8/5756=25...(19) HB3 GLU 89 + HG3 GLU 89 OK 70 78 100 89 2.6-3.0 3.0=51, 1.8/5756=26...(18) HB3 GLU 48 + HG3 GLU 48 OK 59 82 100 71 2.3-3.0 3.0=51, 4089/1.8=16...(5) HB2 GLU 48 + HG3 GLU 48 OK 59 82 100 71 2.3-3.0 3.0=51, 4089/1.8=16...(5) HB2 GLU 47 - HG3 GLU 48 far 0 99 0 - 4.0-7.6 HB2 GLU 89 - HG2 GLU 92 far 0 84 0 - 4.0-8.1 HB3 GLU 89 - HG2 GLU 92 far 0 84 0 - 4.3-7.4 HB3 GLU 91 - HG2 GLU 92 far 0 73 0 - 4.9-6.5 HB2 GLU 92 - HG3 GLU 89 far 0 97 0 - 5.1-8.5 HB2 LYS 94 - HG2 GLU 92 far 0 70 0 - 6.1-9.4 HB3 GLU 87 - HG3 GLU 89 far 0 78 0 - 6.4-8.8 HB3 GLU 98 - HG3 GLU 103 far 0 64 0 - 6.4-9.9 HB3 GLN 85 - HG3 GLU 89 far 0 78 0 - 6.8-10.0 HG3 GLU 52 - HG3 GLU 48 far 0 92 0 - 7.2-14.0 HB3 GLU 91 - HG3 GLU 89 far 0 68 0 - 8.0-9.7 HB2 LYS 94 - HG3 GLU 89 far 0 64 0 - 8.4-12.9 HB3 GLU 87 - HG2 GLU 92 far 0 84 0 - 8.8-11.1 HB2 LYS 94 - HG3 GLU 103 far 0 37 0 - 9.3-12.3 HB3 GLN 100 - HG3 GLU 103 far 0 61 0 - 9.5-11.7 HB3 GLU 98 - HG2 GLU 92 far 0 100 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5868 from cnoeabs.peaks (2.11, 2.32, 36.01 ppm; 2.41 A): 1 out of 12 assignments used, quality = 0.97: * HB3 GLU 92 + HG2 GLU 92 OK 97 100 100 97 2.3-2.7 5863=62, 5864/1.8=50...(19) HB3 GLU 47 - HG3 GLU 48 lone 4 99 30 13 3.5-6.8 284/1313=11, ~3297=2 HB2 GLU 91 - HG2 GLU 92 far 0 65 0 - 4.2-5.9 HB3 GLU 92 - HG3 GLU 89 far 0 97 0 - 5.6-8.4 HB2 GLU 91 - HG3 GLU 89 far 0 61 0 - 6.5-8.1 HB2 GLU 87 - HG3 GLU 89 far 0 78 0 - 6.7-8.5 HB2 GLU 119 - HG3 GLU 103 far 0 53 0 - 7.1-11.6 HB3 GLU 119 - HG3 GLU 103 far 0 58 0 - 7.5-10.9 HG2 GLU 52 - HG3 GLU 48 far 0 96 0 - 7.5-14.5 HB2 GLU 111 - HG3 GLU 13 far 0 89 0 - 7.9-12.7 HB2 GLU 87 - HG2 GLU 92 far 0 84 0 - 8.3-10.8 HG3 GLN 83 - HG3 GLU 13 far 0 84 0 - 9.4-11.7 Violated in 13 structures by 0.08 A. 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 6 assignments used, quality = 1.00: * HG3 GLU 92 + HG2 GLU 92 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 89 + HG3 GLU 89 OK 97 97 100 100 1.8-1.8 1.8=100 HG2 GLU 103 + HG3 GLU 103 OK 55 55 100 100 1.8-1.8 1.8=100 HG2 GLU 89 - HG2 GLU 92 far 0 100 0 - 4.4-8.4 HG3 GLU 92 - HG3 GLU 89 far 0 97 0 - 5.2-8.7 HG3 GLU 111 - HG3 GLU 13 far 0 94 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. Peak 5871 from cnoeabs.peaks (8.09, 2.27, 36.01 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 92 + HG3 GLU 92 OK 100 100 100 100 2.0-4.0 1608=100, 1607/1.8=76...(25) H PHE 93 + HG3 GLU 92 OK 76 77 100 98 2.0-4.6 581/5858=56, 582/5864=53...(8) H GLU 92 - HG2 GLU 89 far 0 100 0 - 5.9-7.3 H PHE 93 - HG2 GLU 89 far 0 76 0 - 6.1-8.1 H SER 99 - HG2 GLU 103 far 0 46 0 - 8.6-11.6 Violated in 0 structures by 0.00 A. Peak 5872 from cnoeabs.peaks (4.03, 2.27, 36.01 ppm; 3.11 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 92 + HG3 GLU 92 OK 100 100 100 100 2.6-3.5 5852=64, 3.0/5858=56...(27) HA GLU 66 + HG2 GLU 69 OK 58 86 95 71 1.9-6.1 5852=36, 8133/3.0=34 HA GLU 87 - HG2 GLU 89 far 0 99 0 - 5.0-7.5 HA PHE 120 - HG2 GLU 103 far 0 48 0 - 6.0-9.9 HA GLU 87 - HG3 GLU 92 far 0 100 0 - 7.2-9.8 HA GLU 92 - HG2 GLU 89 far 0 100 0 - 7.6-9.4 HA LYS 123 - HG2 GLU 103 far 0 53 0 - 8.5-12.2 HA GLU 119 - HG2 GLU 103 far 0 55 0 - 9.3-13.5 HA GLU 13 - HG3 GLU 111 far 0 96 0 - 9.4-13.1 HA SER 35 - HG2 GLU 69 far 0 67 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 5873 from cnoeabs.peaks (2.05, 2.27, 36.01 ppm; 2.46 A): 3 out of 20 assignments used, quality = 1.00: * HB2 GLU 92 + HG3 GLU 92 OK 99 100 100 99 2.3-3.0 5858=81, 1.8/5864=52...(21) HB2 GLU 89 + HG2 GLU 89 OK 75 83 100 90 2.3-3.0 3.0=55, 1.8/5761=28...(18) HB3 GLU 89 + HG2 GLU 89 OK 75 83 100 90 2.3-3.0 3.0=55, 1.8/5761=28...(17) HB2 GLU 66 - HG2 GLU 69 far 4 70 5 - 3.8-8.9 HB3 GLU 91 - HG3 GLU 92 far 0 73 0 - 4.0-6.8 HB3 GLU 89 - HG3 GLU 92 far 0 84 0 - 4.5-6.8 HB2 GLU 92 - HG2 GLU 89 far 0 100 0 - 4.7-8.3 HB2 GLU 89 - HG3 GLU 92 far 0 84 0 - 4.9-7.3 HB3 GLN 100 - HG2 GLU 69 far 0 87 0 - 5.2-9.3 HB3 MET 67 - HG2 GLU 69 far 0 89 0 - 6.1-9.5 HB2 LYS 94 - HG3 GLU 92 far 0 70 0 - 6.2-8.7 HB3 GLN 85 - HG2 GLU 89 far 0 83 0 - 6.6-10.2 HB3 GLU 98 - HG2 GLU 103 far 0 57 0 - 6.7-10.7 HB3 GLU 87 - HG2 GLU 89 far 0 83 0 - 6.8-9.1 HB2 GLU 13 - HG3 GLU 111 far 0 86 0 - 7.0-10.8 HB3 GLU 91 - HG2 GLU 89 far 0 73 0 - 8.0-10.2 HB3 GLU 87 - HG3 GLU 92 far 0 84 0 - 8.0-12.0 HB3 GLN 100 - HG2 GLU 103 far 0 55 0 - 8.7-12.8 HB3 GLU 98 - HG3 GLU 92 far 0 100 0 - 9.1-11.7 HB2 LYS 94 - HG2 GLU 89 far 0 69 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 5874 from cnoeabs.peaks (2.11, 2.27, 36.01 ppm; 2.47 A): 3 out of 17 assignments used, quality = 1.00: * HB3 GLU 92 + HG3 GLU 92 OK 99 100 100 99 2.7-3.0 5864=72, 1.8/5858=56...(22) HB2 GLU 111 + HG3 GLU 111 OK 67 93 100 73 2.4-3.0 3.0=55, 3.0/6596=14...(7) HB3 GLU 69 + HG2 GLU 69 OK 51 53 100 96 2.7-3.0 3.0=56, 1.8/5017=51...(15) HB2 GLU 91 - HG3 GLU 92 lone 7 65 60 17 3.4-6.7 4.6/1608=13, 8181/5749=2 HB3 GLU 66 - HG2 GLU 69 far 0 67 0 - 4.6-8.4 HB3 GLU 92 - HG2 GLU 89 far 0 100 0 - 5.2-8.4 HB2 GLU 91 - HG2 GLU 89 far 0 65 0 - 6.4-8.8 HG3 GLU 21 - HG3 GLU 111 far 0 98 0 - 6.5-10.4 HG2 GLU 21 - HG3 GLU 111 far 0 99 0 - 6.6-11.1 HB2 GLU 87 - HG2 GLU 89 far 0 83 0 - 6.9-9.1 HB3 GLU 119 - HG2 GLU 103 far 0 53 0 - 7.0-11.1 HG3 GLN 83 - HG3 GLU 111 far 0 89 0 - 7.1-12.1 HB2 GLU 119 - HG2 GLU 103 far 0 48 0 - 7.2-11.9 HB2 GLU 87 - HG3 GLU 92 far 0 84 0 - 7.5-11.3 HB VAL 107 - HG3 GLU 111 far 0 91 0 - 7.6-11.6 HB2 GLU 21 - HG3 GLU 111 far 0 91 0 - 8.5-12.1 HB2 LEU 38 - HG2 GLU 69 far 0 85 0 - 8.9-13.3 Violated in 11 structures by 0.01 A. Peak 5875 from cnoeabs.peaks (2.32, 2.27, 36.01 ppm; 2.40 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 92 + HG3 GLU 92 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 89 + HG2 GLU 89 OK 98 98 100 100 1.8-1.8 1.8=100 HG3 GLU 103 + HG2 GLU 103 OK 53 53 100 100 1.8-1.8 1.8=100 HG2 GLU 92 - HG2 GLU 89 far 0 100 0 - 4.4-8.4 HG3 GLU 89 - HG3 GLU 92 far 0 99 0 - 5.2-8.7 HG3 GLU 13 - HG3 GLU 111 far 0 96 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H PHE 93 + HA PHE 93 OK 100 100 100 100 2.8-2.8 3.0=100 H SER 99 + HA SER 99 OK 98 98 100 100 2.7-2.9 2.9=100 H GLU 92 - HA PHE 93 far 0 77 0 - 5.5-5.6 H SER 99 - HA PHE 93 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5880 from cnoeabs.peaks (3.04, 4.34, 60.45 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 93 + HA PHE 93 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 94 - HA PHE 93 far 0 70 0 - 7.1-10.2 HE2 LYS 94 - HA SER 99 far 0 67 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 5884 from cnoeabs.peaks (7.22, 4.34, 60.45 ppm; 3.71 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 93 + HA PHE 93 OK 99 100 100 99 1.6-3.1 3.7=99 QD PHE 93 - HA SER 99 far 0 98 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 5885 from cnoeabs.peaks (8.10, 3.29, 38.99 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 93 + HB2 PHE 93 OK 100 100 100 100 2.2-3.0 3.6=100 H GLU 92 - HB2 PHE 93 far 12 77 15 - 5.1-5.9 H SER 99 - HB2 PHE 93 far 0 99 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 5886 from cnoeabs.peaks (4.34, 3.29, 38.99 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 93 + HB2 PHE 93 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 98 - HB2 PHE 93 far 0 99 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 PHE 93 + HB2 PHE 93 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 94 - HB2 PHE 93 far 0 70 0 - 6.3-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. Peak 5893 from cnoeabs.peaks (8.10, 3.04, 38.99 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 93 + HB3 PHE 93 OK 100 100 100 100 2.2-3.0 3.6=100 H GLU 92 + HB3 PHE 93 OK 21 77 40 68 5.1-5.7 4.6/1612=43, 2146/588=22...(4) H SER 99 - HB3 PHE 93 far 0 99 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 5894 from cnoeabs.peaks (4.34, 3.04, 38.99 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 93 + HB3 PHE 93 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 98 - HB3 PHE 93 far 0 99 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. 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 99 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5918 from cnoeabs.peaks (4.34, 7.22, 131.64 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.94: * HA PHE 93 + QD PHE 93 OK 94 94 100 100 1.6-3.1 3.7=100 HA GLU 98 - QD PHE 93 far 0 92 0 - 7.4-9.0 HB THR 9 - QD PHE 93 far 0 53 0 - 8.5-11.0 HA SER 99 - QD PHE 93 far 0 93 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. 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 94 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. Peak 5920 from cnoeabs.peaks (3.04, 7.22, 131.64 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.94: * HB3 PHE 93 + QD PHE 93 OK 94 94 100 100 2.3-2.8 2.4=100 HE2 LYS 94 - QD PHE 93 far 3 60 5 - 4.9-9.4 Violated in 0 structures by 0.00 A. Peak 5923 from cnoeabs.peaks (7.14, 7.22, 131.64 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.94: * QE PHE 93 + QD PHE 93 OK 94 94 100 100 2.2-2.2 2.2=100 QE PHE 120 - QD PHE 93 far 0 93 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 94 + HA LYS 94 OK 100 100 100 100 2.7-2.8 3.0=100 H LEU 80 - HA LYS 94 far 0 99 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 98 + HA LYS 94 OK 48 70 100 68 3.0-4.8 4.0/2175=24...(12) HB3 GLU 91 - HA LYS 94 far 0 100 0 - 6.6-7.3 HB2 GLU 92 - HA LYS 94 far 0 70 0 - 7.1-8.2 HB2 GLU 103 - HA LYS 94 far 0 70 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 5928 from cnoeabs.peaks (1.74, 3.62, 60.08 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 82 - HA LYS 94 far 0 100 0 - 5.7-7.8 HB2 LEU 80 - HA LYS 94 far 0 65 0 - 5.8-7.4 HB3 LEU 90 - HA LYS 94 far 0 84 0 - 6.0-8.1 HB2 LYS 106 - HA LYS 94 far 0 61 0 - 6.4-8.5 HG3 ARG 105 - HA LYS 94 far 0 70 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 5929 from cnoeabs.peaks (1.37, 3.62, 60.08 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.1-3.9 4.0=92, 1.8/5930=77...(20) HB3 LEU 68 - HA LYS 94 far 0 87 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 5930 from cnoeabs.peaks (1.32, 3.62, 60.08 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.1-3.3 4.0=86, 1.8/5929=72...(21) Violated in 0 structures by 0.00 A. Peak 5931 from cnoeabs.peaks (1.54, 3.62, 60.08 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.6-4.9 4.7=100 HD3 LYS 94 + HA LYS 94 OK 100 100 100 100 3.5-5.4 4.7=100 HG2 LYS 65 - HA LYS 94 far 0 87 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 5932 from cnoeabs.peaks (1.54, 3.62, 60.08 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.6-4.9 4.7=100 * HD3 LYS 94 + HA LYS 94 OK 100 100 100 100 3.5-5.4 4.7=100 HG2 LYS 65 - HA LYS 94 far 0 87 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 5935 from cnoeabs.peaks (8.61, 2.07, 32.47 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-3.6 3.9=100 H LEU 80 - HB2 LYS 94 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 90 - HB2 LYS 94 poor 17 84 35 58 3.9-8.3 ~10101=16, 4.6/1600=12...(11) HB2 LYS 106 - HB2 LYS 94 far 0 61 0 - 5.2-7.7 HB3 LEU 82 - HB2 LYS 94 far 0 100 0 - 5.3-9.6 HB2 LEU 80 - HB2 LYS 94 far 0 65 0 - 8.1-10.1 HG3 ARG 105 - HB2 LYS 94 far 0 70 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5941 from cnoeabs.peaks (1.54, 2.07, 32.47 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-3.9 3.6=100 HD3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.3-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 5942 from cnoeabs.peaks (1.54, 2.07, 32.47 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-3.9 3.6=100 * HD3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.3-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 5943 from cnoeabs.peaks (3.02, 2.07, 32.47 ppm; 5.97 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.6-4.9 4.8=100 HB3 PHE 93 + HB2 LYS 94 OK 66 70 100 95 4.2-7.1 4.3/1619=78, 5953/1.8=37...(12) Violated in 0 structures by 0.00 A. Peak 5944 from cnoeabs.peaks (2.92, 2.07, 32.47 ppm; 6.20 A): 1 out of 7 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 1.8-4.2 4.8=100 HE2 LYS 96 - HB2 LYS 94 far 4 84 5 - 7.3-10.1 HE3 LYS 96 - HB2 LYS 94 far 0 84 0 - 7.8-10.0 HE2 LYS 65 - HB2 LYS 94 far 0 100 0 - 8.8-16.6 HE3 LYS 65 - HB2 LYS 94 far 0 100 0 - 9.1-16.4 HB3 ASN 88 - HB2 LYS 94 far 0 87 0 - 9.6-12.4 HB2 ASP 86 - HB2 LYS 94 far 0 92 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 5945 from cnoeabs.peaks (8.61, 1.74, 32.47 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.2-3.5 1620=100, 1619/1.8=74...(17) H LEU 80 - HB3 LYS 94 far 0 99 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5947 from cnoeabs.peaks (2.07, 1.74, 32.47 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 91 + HB3 LYS 94 OK 38 100 45 84 3.8-6.3 5830/8195=37, ~8194=23...(16) HB3 GLU 98 - HB3 LYS 94 poor 18 70 65 40 3.5-5.4 5927/3.0=13, 595/596=9...(10) HB2 GLU 92 - HB3 LYS 94 far 0 70 0 - 6.0-8.3 HB2 GLU 103 - HB3 LYS 94 far 0 70 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5951 from cnoeabs.peaks (1.54, 1.74, 32.47 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-3.8 3.6=100 HD3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 5952 from cnoeabs.peaks (1.54, 1.74, 32.47 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-3.8 3.6=100 * HD3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 5953 from cnoeabs.peaks (3.02, 1.74, 32.47 ppm; 5.38 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.7-5.1 4.8=100 HB3 PHE 93 + HB3 LYS 94 OK 66 70 100 95 4.8-6.6 4.3/1620=83, 5943/1.8=27...(11) Violated in 0 structures by 0.00 A. Peak 5955 from cnoeabs.peaks (8.61, 1.37, 24.71 ppm; 5.92 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-4.4 4.9=100 H ALA 124 + HG2 LYS 77 OK 22 39 90 63 5.1-7.9 10623/4656=52, ~8321=15 H ILE 71 - HG3 LYS 43 far 0 76 0 - 8.0-10.9 H LEU 80 - HG2 LYS 94 far 0 99 0 - 8.7-11.7 H LEU 80 - HG2 LYS 77 far 0 39 0 - 9.0-10.0 H THR 108 - HG2 LYS 94 far 0 100 0 - 9.7-14.0 H LYS 49 - HG2 LYS 40 far 0 48 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 5957 from cnoeabs.peaks (2.07, 1.37, 24.71 ppm; 4.08 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 91 + HG2 LYS 94 OK 41 100 45 92 3.8-7.0 ~8194=26, ~11105=26...(16) HB3 GLU 98 - HG2 LYS 94 poor 19 70 55 50 2.3-6.9 5927/5929=16...(8) HB2 GLU 92 - HG2 LYS 94 far 0 70 0 - 5.9-9.3 HB2 GLU 103 - HG2 LYS 77 far 0 23 0 - 6.9-9.4 HB3 PHE 79 - HG2 LYS 77 far 0 39 0 - 7.2-9.1 HB2 GLU 47 - HG2 LYS 40 far 0 33 0 - 7.7-10.2 HB2 GLU 47 - HG3 LYS 43 far 0 61 0 - 8.4-9.8 HB3 GLU 69 - HG3 LYS 43 far 0 45 0 - 8.9-12.8 HB2 GLU 103 - HG2 LYS 94 far 0 70 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 5958 from cnoeabs.peaks (1.74, 1.37, 24.71 ppm; 3.20 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 106 - HG2 LYS 94 far 9 61 15 - 4.0-8.3 HB3 LEU 90 - HG2 LYS 94 poor 6 84 25 29 3.0-8.8 ~10982=7, 5938/3.0=7...(6) HB3 LEU 82 - HG2 LYS 94 far 5 100 5 - 4.5-10.3 HG3 ARG 105 - HG2 LYS 94 far 0 70 0 - 6.6-10.1 HB2 LEU 80 - HG2 LYS 94 far 0 65 0 - 6.7-10.2 HD3 LYS 123 - HG2 LYS 77 far 0 30 0 - 7.8-10.0 HB3 LYS 49 - HG2 LYS 40 far 0 21 0 - 9.4-17.9 Violated in 0 structures by 0.00 A. Peak 5959 from cnoeabs.peaks (1.37, 1.37, 24.71 ppm; diagonal): 4 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5961 from cnoeabs.peaks (1.54, 1.37, 24.71 ppm; 2.66 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 94 + HG2 LYS 94 OK 96 100 100 96 2.2-3.0 3.0=73, 5972/1.8=31...(15) * HD2 LYS 94 + HG2 LYS 94 OK 96 100 100 96 2.3-3.0 3.0=73, 5972/1.8=31...(15) QB ALA 46 - HG3 LYS 43 far 0 64 0 - 5.3-6.0 HG LEU 38 - HG3 LYS 43 far 0 55 0 - 5.7-7.5 HG LEU 38 - HG2 LYS 40 far 0 29 0 - 7.2-9.3 QB ALA 46 - HG2 LYS 40 far 0 35 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 5962 from cnoeabs.peaks (1.54, 1.37, 24.71 ppm; 2.66 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 94 + HG2 LYS 94 OK 96 100 100 96 2.2-3.0 3.0=73, 5972/1.8=31...(15) HD2 LYS 94 + HG2 LYS 94 OK 96 100 100 96 2.3-3.0 3.0=73, 5972/1.8=31...(15) QB ALA 46 - HG3 LYS 43 far 0 64 0 - 5.3-6.0 HG LEU 38 - HG3 LYS 43 far 0 55 0 - 5.7-7.5 HG LEU 38 - HG2 LYS 40 far 0 29 0 - 7.2-9.3 QB ALA 46 - HG2 LYS 40 far 0 35 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 5963 from cnoeabs.peaks (3.02, 1.37, 24.71 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.3-4.1 3.8=100 HB3 PHE 93 + HG2 LYS 94 OK 30 70 60 71 3.8-7.6 4.3/1621=49, 5953/3.0=18...(5) HE2 LYS 123 - HG2 LYS 77 far 0 39 0 - 6.3-11.4 HE3 LYS 123 - HG2 LYS 77 far 0 34 0 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 5964 from cnoeabs.peaks (2.92, 1.37, 24.71 ppm; 4.02 A): 1 out of 13 assignments used, quality = 1.00: * HE3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-3.6 3.8=100 HE2 LYS 44 - HG2 LYS 40 poor 12 35 35 - 2.7-8.7 HE3 LYS 44 - HG2 LYS 40 poor 12 35 35 - 2.8-8.0 HE3 LYS 44 - HG3 LYS 43 far 0 64 0 - 7.2-10.7 HE2 LYS 44 - HG3 LYS 43 far 0 64 0 - 7.5-11.3 HB2 ASP 34 - HG2 LYS 40 far 0 42 0 - 7.8-11.9 HE2 LYS 96 - HG2 LYS 94 far 0 84 0 - 8.3-12.0 HE3 LYS 96 - HG2 LYS 94 far 0 84 0 - 8.4-11.6 HB2 ASP 86 - HG2 LYS 94 far 0 92 0 - 9.1-14.6 HE3 LYS 65 - HG2 LYS 94 far 0 100 0 - 9.3-16.9 HE2 LYS 65 - HG2 LYS 94 far 0 100 0 - 9.6-17.0 HB3 ASN 88 - HG2 LYS 94 far 0 87 0 - 9.6-13.1 HD3 ARG 30 - HG2 LYS 40 far 0 29 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 5965 from cnoeabs.peaks (8.61, 1.32, 24.71 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.4-4.4 4.9=100 H LEU 80 - HG3 LYS 94 far 0 99 0 - 8.2-10.7 H THR 108 - HG3 LYS 94 far 0 100 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 5967 from cnoeabs.peaks (2.07, 1.32, 24.71 ppm; 4.30 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 98 + HG3 LYS 94 OK 23 70 55 59 3.0-6.6 5927/5930=18, 595/598=12...(10) HB3 GLU 91 - HG3 LYS 94 poor 20 100 20 - 5.3-6.9 HB2 GLU 92 - HG3 LYS 94 far 0 70 0 - 6.7-9.3 HB2 GLU 103 - HG3 LYS 94 far 0 70 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 5968 from cnoeabs.peaks (1.74, 1.32, 24.71 ppm; 4.07 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 82 + HG3 LYS 94 OK 26 100 35 73 4.6-10.3 3.1/11394=42, ~10980=20...(7) HB3 LEU 90 + HG3 LYS 94 OK 21 84 50 51 3.3-8.9 ~10982=14, 5938/3.0=11...(9) HB2 LYS 106 - HG3 LYS 94 lone 1 61 50 5 4.1-8.3 10285/11394=4 HB2 LEU 80 - HG3 LYS 94 far 0 65 0 - 5.9-9.1 HG3 ARG 105 - HG3 LYS 94 far 0 70 0 - 6.3-9.1 Violated in 0 structures by 0.00 A. Peak 5969 from cnoeabs.peaks (1.37, 1.32, 24.71 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 81 - HG3 LYS 94 far 0 84 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD2 LYS 94 + HG3 LYS 94 OK 97 100 100 97 2.3-3.0 3.0=74, 5961/1.8=32...(16) HD3 LYS 94 + HG3 LYS 94 OK 97 100 100 97 2.3-3.0 3.0=74, 5961/1.8=32...(16) Violated in 0 structures by 0.00 A. Peak 5972 from cnoeabs.peaks (1.54, 1.32, 24.71 ppm; 2.67 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 94 + HG3 LYS 94 OK 97 100 100 97 2.3-3.0 3.0=74, 5961/1.8=32...(16) * HD3 LYS 94 + HG3 LYS 94 OK 97 100 100 97 2.3-3.0 3.0=74, 5961/1.8=32...(16) Violated in 0 structures by 0.00 A. Peak 5973 from cnoeabs.peaks (3.02, 1.32, 24.71 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.8-4.2 3.8=100 HB3 PHE 93 + HG3 LYS 94 OK 68 70 100 97 4.0-7.2 4.3/1622=87, 5953/3.0=34...(8) Violated in 0 structures by 0.00 A. Peak 5974 from cnoeabs.peaks (2.92, 1.32, 24.71 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.1-3.8 3.8=100 HE2 LYS 96 - HG3 LYS 94 far 0 84 0 - 8.6-11.8 HE2 LYS 65 - HG3 LYS 94 far 0 100 0 - 8.7-17.6 HE3 LYS 96 - HG3 LYS 94 far 0 84 0 - 8.8-11.2 HE3 LYS 65 - HG3 LYS 94 far 0 100 0 - 8.9-16.8 HB2 ASP 86 - HG3 LYS 94 far 0 92 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 5975 from cnoeabs.peaks (8.61, 1.54, 30.10 ppm; 5.61 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 94 + HD2 LYS 94 OK 100 100 100 100 1.9-5.9 1620/3.6=95, 1622/3.0=93...(11) H LYS 94 + HD3 LYS 94 OK 100 100 100 100 3.6-5.9 1620/3.6=95, 1622/3.0=93...(11) H LEU 80 - HD3 LYS 94 far 0 99 0 - 8.8-12.0 H LEU 80 - HD2 LYS 94 far 0 99 0 - 8.9-12.1 H THR 108 - HD2 LYS 94 far 0 100 0 - 9.0-14.6 H THR 108 - HD3 LYS 94 far 0 100 0 - 9.3-13.9 H GLN 85 - HD2 LYS 94 far 0 90 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. 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 + HD2 LYS 94 OK 100 100 100 100 2.6-4.9 4.7=100 HA LYS 94 + HD3 LYS 94 OK 100 100 100 100 3.5-5.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 5977 from cnoeabs.peaks (2.07, 1.54, 30.10 ppm; 4.28 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.1-3.9 3.6=100 HB2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-4.2 3.6=100 HB3 GLU 91 + HD3 LYS 94 OK 52 100 65 81 3.5-8.1 ~11105=24, 3.0/11106=22...(14) HB3 GLU 91 + HD2 LYS 94 OK 20 100 25 81 3.7-7.5 ~11105=24, 3.0/11106=22...(14) HB3 GLU 98 - HD2 LYS 94 poor 16 70 50 47 3.3-7.6 5927/4.7=14, 5967/3.0=11...(7) HB3 GLU 98 - HD3 LYS 94 poor 11 70 35 47 3.9-7.6 5927/4.7=14, 5967/3.0=11...(7) HB2 GLU 92 - HD2 LYS 94 far 0 70 0 - 5.9-10.4 HB2 GLU 92 - HD3 LYS 94 far 0 70 0 - 6.9-10.6 HB2 GLU 103 - HD3 LYS 94 far 0 70 0 - 8.4-12.4 HB2 GLU 103 - HD2 LYS 94 far 0 70 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 5978 from cnoeabs.peaks (1.74, 1.54, 30.10 ppm; 3.32 A): 2 out of 12 assignments used, quality = 1.00: HB3 LYS 94 + HD3 LYS 94 OK 99 100 100 99 2.1-4.2 3.6=79, 3.0/5961=32...(18) * HB3 LYS 94 + HD2 LYS 94 OK 99 100 100 99 2.1-3.8 3.6=79, 3.0/5962=32...(17) HB2 LYS 106 - HD2 LYS 94 poor 18 61 30 - 3.4-8.8 HB3 LEU 90 - HD2 LYS 94 poor 17 84 20 - 2.8-9.0 HB3 LEU 90 - HD3 LYS 94 poor 11 84 30 44 2.8-9.3 3.1/10982=19, ~10982=10...(8) HB2 LYS 106 - HD3 LYS 94 lone 2 61 45 5 3.8-8.4 5806/10982=3 HB3 LEU 82 - HD3 LYS 94 far 0 100 0 - 5.2-10.0 HB3 LEU 82 - HD2 LYS 94 far 0 100 0 - 5.3-10.9 HG3 ARG 105 - HD3 LYS 94 far 0 70 0 - 5.3-9.0 HG3 ARG 105 - HD2 LYS 94 far 0 70 0 - 6.2-10.0 HB2 LEU 80 - HD2 LYS 94 far 0 65 0 - 7.1-10.3 HB2 LEU 80 - HD3 LYS 94 far 0 65 0 - 7.3-10.8 Violated in 2 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: HE2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 93 - HD2 LYS 94 far 7 70 10 - 3.0-8.5 HB3 PHE 93 - HD3 LYS 94 far 7 70 10 - 4.3-9.4 Violated in 0 structures by 0.00 A. Peak 5984 from cnoeabs.peaks (2.92, 1.54, 30.10 ppm; 3.86 A): 2 out of 10 assignments used, quality = 1.00: HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASN 88 - HD2 LYS 94 far 0 87 0 - 9.1-13.2 HE3 LYS 96 - HD2 LYS 94 far 0 84 0 - 9.4-12.8 HB2 ASP 86 - HD3 LYS 94 far 0 92 0 - 9.4-15.0 HB2 ASP 86 - HD2 LYS 94 far 0 92 0 - 9.4-14.3 HB3 ASN 88 - HD3 LYS 94 far 0 87 0 - 9.5-14.0 HE2 LYS 96 - HD2 LYS 94 far 0 84 0 - 9.6-12.8 HE2 LYS 96 - HD3 LYS 94 far 0 84 0 - 9.7-13.1 HE3 LYS 96 - HD3 LYS 94 far 0 84 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 5985 from cnoeabs.peaks (8.61, 1.54, 30.10 ppm; 5.61 A): 2 out of 7 assignments used, quality = 1.00: H LYS 94 + HD2 LYS 94 OK 100 100 100 100 1.9-5.9 1620/3.6=95, 1622/3.0=93...(11) * H LYS 94 + HD3 LYS 94 OK 100 100 100 100 3.6-5.9 1620/3.6=95, 1622/3.0=93...(11) H LEU 80 - HD3 LYS 94 far 0 99 0 - 8.8-12.0 H LEU 80 - HD2 LYS 94 far 0 99 0 - 8.9-12.1 H THR 108 - HD2 LYS 94 far 0 100 0 - 9.0-14.6 H THR 108 - HD3 LYS 94 far 0 100 0 - 9.3-13.9 H GLN 85 - HD2 LYS 94 far 0 90 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. 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 + HD2 LYS 94 OK 100 100 100 100 2.6-4.9 4.7=100 * HA LYS 94 + HD3 LYS 94 OK 100 100 100 100 3.5-5.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 5987 from cnoeabs.peaks (2.07, 1.54, 30.10 ppm; 4.28 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.1-3.9 3.6=100 * HB2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-4.2 3.6=100 HB3 GLU 91 + HD3 LYS 94 OK 52 100 65 81 3.5-8.1 ~11105=24, 3.0/11106=22...(14) HB3 GLU 91 + HD2 LYS 94 OK 20 100 25 81 3.7-7.5 ~11105=24, 3.0/11106=22...(14) HB3 GLU 98 - HD2 LYS 94 poor 16 70 50 47 3.3-7.6 5927/4.7=14, 5967/3.0=11...(7) HB3 GLU 98 - HD3 LYS 94 poor 11 70 35 47 3.9-7.6 5927/4.7=14, 5967/3.0=11...(7) HB2 GLU 92 - HD2 LYS 94 far 0 70 0 - 5.9-10.4 HB2 GLU 92 - HD3 LYS 94 far 0 70 0 - 6.9-10.6 HB2 GLU 103 - HD3 LYS 94 far 0 70 0 - 8.4-12.4 HB2 GLU 103 - HD2 LYS 94 far 0 70 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 5988 from cnoeabs.peaks (1.74, 1.54, 30.10 ppm; 3.32 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 94 + HD3 LYS 94 OK 99 100 100 99 2.1-4.2 3.6=79, 3.0/5961=32...(18) HB3 LYS 94 + HD2 LYS 94 OK 99 100 100 99 2.1-3.8 3.6=79, 3.0/5962=32...(17) HB2 LYS 106 - HD2 LYS 94 poor 18 61 30 - 3.4-8.8 HB3 LEU 90 - HD2 LYS 94 poor 17 84 20 - 2.8-9.0 HB3 LEU 90 - HD3 LYS 94 poor 11 84 30 44 2.8-9.3 3.1/10982=19, ~10982=10...(8) HB2 LYS 106 - HD3 LYS 94 lone 2 61 45 5 3.8-8.4 5806/10982=3 HB3 LEU 82 - HD3 LYS 94 far 0 100 0 - 5.2-10.0 HB3 LEU 82 - HD2 LYS 94 far 0 100 0 - 5.3-10.9 HG3 ARG 105 - HD3 LYS 94 far 0 70 0 - 5.3-9.0 HG3 ARG 105 - HD2 LYS 94 far 0 70 0 - 6.2-10.0 HB2 LEU 80 - HD2 LYS 94 far 0 65 0 - 7.1-10.3 HB2 LEU 80 - HD3 LYS 94 far 0 65 0 - 7.3-10.8 Violated in 2 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HE2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 93 - HD2 LYS 94 far 7 70 10 - 3.0-8.5 HB3 PHE 93 - HD3 LYS 94 far 7 70 10 - 4.3-9.4 Violated in 0 structures by 0.00 A. Peak 5994 from cnoeabs.peaks (2.92, 1.54, 30.10 ppm; 3.86 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASN 88 - HD2 LYS 94 far 0 87 0 - 9.1-13.2 HE3 LYS 96 - HD2 LYS 94 far 0 84 0 - 9.4-12.8 HB2 ASP 86 - HD3 LYS 94 far 0 92 0 - 9.4-15.0 HB2 ASP 86 - HD2 LYS 94 far 0 92 0 - 9.4-14.3 HB3 ASN 88 - HD3 LYS 94 far 0 87 0 - 9.5-14.0 HE2 LYS 96 - HD2 LYS 94 far 0 84 0 - 9.6-12.8 HE2 LYS 96 - HD3 LYS 94 far 0 84 0 - 9.7-13.1 HE3 LYS 96 - HD3 LYS 94 far 0 84 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 5997 from cnoeabs.peaks (2.07, 3.02, 41.78 ppm; 6.20 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.6-4.9 4.8=100 HB3 GLU 91 + HE2 LYS 94 OK 68 100 85 80 3.9-8.4 ~11106=28, 5957/3.8=24...(10) HB3 GLU 98 + HE2 LYS 94 OK 41 70 100 59 4.2-7.6 5927/5.7=23, 5967/3.8=17...(7) HG2 GLU 119 + HE2 LYS 123 OK 22 92 30 79 4.8-10.4 1.8/11203=41, ~11203=35...(5) HG2 GLU 119 - HE3 LYS 123 poor 19 78 30 79 5.5-10.7 1.8/11203=43, ~11203=33...(5) HB2 GLU 47 - HE2 LYS 49 poor 15 77 20 - 6.7-12.8 HB2 GLU 47 - HE3 LYS 49 far 12 77 15 - 6.2-12.9 HB3 MET 121 - HE2 LYS 123 far 5 90 5 - 7.6-11.4 HB2 GLU 92 - HE2 LYS 94 far 3 70 5 - 7.7-11.3 HB2 GLU 103 - HE3 LYS 123 lone 1 51 95 2 5.9-8.0 HB2 GLU 103 - HE2 LYS 123 lone 1 62 65 2 4.6-8.1 HB3 PHE 79 - HE2 LYS 123 lone 1 93 30 2 6.2-9.5 HB3 PHE 79 - HE3 LYS 123 lone 0 80 30 2 5.7-9.8 HB3 MET 121 - HE3 LYS 123 far 0 77 0 - 7.9-11.5 HB2 GLU 103 - HE2 LYS 94 far 0 70 0 - 8.7-12.6 HB3 PHE 79 - HE2 LYS 94 far 0 99 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 5998 from cnoeabs.peaks (1.74, 3.02, 41.78 ppm; 3.16 A): 5 out of 15 assignments used, quality = 0.99: HD3 LYS 123 + HE2 LYS 123 OK 76 76 100 100 2.3-3.0 3.0=100 * HB3 LYS 94 + HE2 LYS 94 OK 74 100 85 87 2.7-5.1 4.8=28, ~6010=24...(12) HD3 LYS 123 + HE3 LYS 123 OK 63 63 100 100 2.3-3.0 3.0=100 HB3 LYS 49 + HE2 LYS 49 OK 46 54 90 95 2.5-4.8 5.1=23, ~4115=13...(36) HB3 LYS 49 + HE3 LYS 49 OK 41 54 80 95 3.2-5.1 5.1=23, ~4115=13...(36) HB2 LYS 106 - HE2 LYS 94 poor 18 61 30 - 3.6-7.6 HB3 LEU 90 - HE2 LYS 94 far 13 84 15 - 4.5-10.1 HG3 ARG 105 - HE2 LYS 94 far 0 70 0 - 5.2-9.4 HB2 LEU 80 - HE2 LYS 94 far 0 65 0 - 5.9-10.9 HB3 LEU 82 - HE2 LYS 94 far 0 100 0 - 6.1-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 62 0 - 6.7-13.7 HG3 ARG 105 - HE3 LYS 123 far 0 51 0 - 7.1-12.7 HG2 ARG 118 - HE2 LYS 123 far 0 92 0 - 7.5-14.8 HG2 ARG 118 - HE3 LYS 123 far 0 78 0 - 7.5-15.0 HB2 LEU 80 - HE3 LYS 123 far 0 47 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5999 from cnoeabs.peaks (1.37, 3.02, 41.78 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-4.1 3.8=100 HG2 LYS 77 - HE2 LYS 123 far 0 73 0 - 6.3-11.4 HG2 LYS 77 - HE3 LYS 123 far 0 60 0 - 6.4-11.3 HB3 LEU 81 - HE2 LYS 94 far 0 84 0 - 9.0-15.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 6001 from cnoeabs.peaks (1.54, 3.02, 41.78 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 46 - HE3 LYS 49 far 0 80 0 - 6.7-11.2 QB ALA 46 - HE2 LYS 49 far 0 80 0 - 7.3-11.4 Violated in 0 structures by 0.00 A. Peak 6002 from cnoeabs.peaks (1.54, 3.02, 41.78 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 46 - HE3 LYS 49 far 0 80 0 - 6.7-11.2 QB ALA 46 - HE2 LYS 49 far 0 80 0 - 7.3-11.4 Violated in 0 structures by 0.00 A. 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 12 assignments used, quality = 1.00: * HE3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 44 - HE3 LYS 49 far 0 80 0 - 6.2-17.7 HE2 LYS 44 - HE2 LYS 49 far 0 80 0 - 7.2-17.9 HE3 LYS 44 - HE3 LYS 49 far 0 80 0 - 7.7-18.8 HE3 LYS 115 - HE2 LYS 123 far 0 89 0 - 8.4-18.2 HE3 LYS 44 - HE2 LYS 49 far 0 80 0 - 8.9-18.9 HB2 ASP 86 - HE2 LYS 94 far 0 92 0 - 9.0-14.9 HE3 LYS 115 - HE3 LYS 123 far 0 75 0 - 9.0-18.5 HE2 LYS 115 - HE2 LYS 123 far 0 89 0 - 9.2-18.0 HE3 LYS 96 - HE2 LYS 94 far 0 84 0 - 9.7-13.6 HB3 ASN 88 - HE2 LYS 94 far 0 87 0 - 9.9-13.9 HE2 LYS 115 - HE3 LYS 123 far 0 75 0 - 10.0-18.8 Violated in 0 structures by 0.00 A. Peak 6007 from cnoeabs.peaks (2.07, 2.92, 41.78 ppm; 4.15 A): 2 out of 35 assignments used, quality = 1.00: * HB2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 1.8-4.2 3.0/6010=68, 3.0/6009=67...(20) HB3 GLU 91 + HE3 LYS 94 OK 20 100 40 51 3.0-7.9 5957/3.8=13, ~11106=12...(7) HB2 GLU 112 - HE3 LYS 115 poor 17 67 25 - 4.4-8.6 HB3 GLU 98 - HE3 LYS 94 poor 17 70 50 48 3.7-8.1 11454/10234=19...(8) HB2 GLU 92 - HE2 LYS 96 poor 16 40 40 - 4.0-7.8 HB2 GLU 112 - HE2 LYS 115 poor 13 67 20 - 2.8-8.1 HG2 GLU 119 - HE2 LYS 115 far 13 86 15 - 4.4-9.5 HB2 GLU 92 - HE3 LYS 96 poor 12 40 30 - 3.3-8.0 HB3 GLU 112 - HE3 LYS 115 far 11 70 15 - 5.0-8.7 HB3 GLU 112 - HE2 LYS 115 poor 8 70 35 33 4.0-8.3 ~10461=17, ~11463=15...(4) HB2 GLU 13 - HE2 LYS 16 far 4 89 5 - 4.7-9.5 HG2 GLU 119 - HE3 LYS 115 lone 0 86 35 1 4.3-9.5 HB3 GLU 69 - HE2 LYS 65 far 0 61 0 - 6.3-11.2 HB2 GLU 13 - HE3 LYS 16 far 0 89 0 - 6.3-9.2 HB2 GLU 47 - HE3 LYS 44 far 0 48 0 - 6.6-8.9 HB2 GLU 47 - HE2 LYS 44 far 0 48 0 - 6.7-9.9 HB3 GLU 69 - HE3 LYS 65 far 0 61 0 - 6.9-11.3 HB2 LYS 94 - HE2 LYS 96 far 0 68 0 - 7.3-10.1 HB2 GLU 92 - HE2 LYS 65 far 0 69 0 - 7.4-13.7 HB3 GLU 98 - HE2 LYS 65 far 0 69 0 - 7.5-16.2 HB2 GLN 28 - HE3 LYS 44 far 0 61 0 - 7.5-14.4 HB2 GLU 92 - HE3 LYS 94 far 0 70 0 - 7.6-10.6 HB3 GLU 98 - HE3 LYS 65 far 0 69 0 - 7.6-16.1 HB2 LYS 94 - HE3 LYS 96 far 0 68 0 - 7.8-10.0 HB3 GLU 98 - HE3 LYS 96 far 0 40 0 - 7.9-10.2 HB3 GLU 91 - HE2 LYS 96 far 0 68 0 - 7.9-11.0 HB3 GLU 98 - HE2 LYS 96 far 0 40 0 - 8.0-10.2 HB3 GLU 91 - HE3 LYS 96 far 0 68 0 - 8.1-10.3 HB2 GLU 103 - HE3 LYS 94 far 0 70 0 - 8.1-13.2 HB2 GLU 92 - HE3 LYS 65 far 0 69 0 - 8.4-14.2 HB2 GLN 28 - HE2 LYS 44 far 0 61 0 - 8.6-14.0 HB2 LYS 94 - HE2 LYS 65 far 0 100 0 - 8.8-16.6 HB2 LYS 94 - HE3 LYS 65 far 0 100 0 - 9.1-16.4 HB3 MET 121 - HE2 LYS 115 far 0 85 0 - 9.3-13.6 HB3 MET 121 - HE3 LYS 115 far 0 85 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 6009 from cnoeabs.peaks (1.37, 2.92, 41.78 ppm; 3.49 A): 1 out of 14 assignments used, quality = 0.98: * HG2 LYS 94 + HE3 LYS 94 OK 98 100 100 98 2.2-3.6 3.8=77, 5962/3.0=34...(17) HB3 LEU 68 - HE2 LYS 65 far 4 87 5 - 4.3-9.6 HB3 LEU 68 - HE3 LYS 65 far 4 87 5 - 4.7-9.1 HG2 LYS 40 - HE2 LYS 44 poor 4 57 35 21 2.7-8.7 256/7.0=5, ~6154=2...(8) HG2 LYS 40 - HE3 LYS 44 poor 4 57 35 20 2.8-8.0 256/7.0=5, ~6154=2...(8) HG3 LYS 43 - HE3 LYS 44 far 0 68 0 - 7.2-10.7 HG3 LYS 43 - HE2 LYS 44 far 0 68 0 - 7.5-11.3 HG2 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.3-12.0 HG2 LYS 94 - HE3 LYS 96 far 0 68 0 - 8.4-11.6 HG2 LYS 94 - HE3 LYS 65 far 0 100 0 - 9.3-16.9 HG2 LYS 94 - HE2 LYS 65 far 0 100 0 - 9.6-17.0 HB3 LEU 81 - HE3 LYS 115 far 0 70 0 - 9.6-14.1 HB3 LEU 81 - HE3 LYS 94 far 0 84 0 - 9.8-15.2 HG LEU 14 - HE2 LYS 16 far 0 84 0 - 9.9-12.6 Violated in 2 structures by 0.00 A. Peak 6010 from cnoeabs.peaks (1.32, 2.92, 41.78 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.1-3.8 3.8=95, 5971/3.0=38...(18) HG3 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.6-11.8 HG3 LYS 94 - HE2 LYS 65 far 0 100 0 - 8.7-17.6 HG3 LYS 94 - HE3 LYS 96 far 0 68 0 - 8.8-11.2 HG3 LYS 94 - HE3 LYS 65 far 0 100 0 - 8.9-16.8 Violated in 1 structures by 0.00 A. Peak 6011 from cnoeabs.peaks (1.54, 2.92, 41.78 ppm; 3.09 A): 4 out of 18 assignments used, quality = 1.00: HD3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 65 + HE3 LYS 65 OK 85 87 100 99 2.2-4.2 3.7=58, 1.8/4878=28...(63) HG2 LYS 65 + HE2 LYS 65 OK 85 87 100 99 2.8-4.1 3.7=58, 1.8/4878=28...(63) HG LEU 6 - HE2 LYS 65 far 0 69 0 - 7.4-11.7 HG2 LYS 65 - HE2 LYS 96 far 0 53 0 - 7.7-12.6 QB ALA 46 - HE2 LYS 44 far 0 50 0 - 7.8-9.5 QB ALA 46 - HE3 LYS 44 far 0 50 0 - 7.9-9.3 HG LEU 6 - HE3 LYS 65 far 0 69 0 - 7.9-11.3 HG2 LYS 65 - HE3 LYS 96 far 0 53 0 - 8.4-11.7 HG LEU 38 - HE3 LYS 65 far 0 73 0 - 8.8-13.8 HG LEU 38 - HE2 LYS 44 far 0 43 0 - 9.0-12.8 HG LEU 38 - HE2 LYS 65 far 0 73 0 - 9.1-13.5 HD2 LYS 94 - HE3 LYS 96 far 0 68 0 - 9.4-12.8 HG LEU 38 - HE3 LYS 44 far 0 43 0 - 9.4-12.3 HD2 LYS 94 - HE2 LYS 96 far 0 68 0 - 9.6-12.8 HD3 LYS 94 - HE2 LYS 96 far 0 68 0 - 9.7-13.1 HD3 LYS 94 - HE3 LYS 96 far 0 68 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 6012 from cnoeabs.peaks (1.54, 2.92, 41.78 ppm; 3.09 A): 4 out of 18 assignments used, quality = 1.00: * HD3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 65 + HE3 LYS 65 OK 85 87 100 99 2.2-4.2 3.7=58, 1.8/4878=28...(63) HG2 LYS 65 + HE2 LYS 65 OK 85 87 100 99 2.8-4.1 3.7=58, 1.8/4878=28...(63) HG LEU 6 - HE2 LYS 65 far 0 69 0 - 7.4-11.7 HG2 LYS 65 - HE2 LYS 96 far 0 53 0 - 7.7-12.6 QB ALA 46 - HE2 LYS 44 far 0 50 0 - 7.8-9.5 QB ALA 46 - HE3 LYS 44 far 0 50 0 - 7.9-9.3 HG LEU 6 - HE3 LYS 65 far 0 69 0 - 7.9-11.3 HG2 LYS 65 - HE3 LYS 96 far 0 53 0 - 8.4-11.7 HG LEU 38 - HE3 LYS 65 far 0 73 0 - 8.8-13.8 HG LEU 38 - HE2 LYS 44 far 0 43 0 - 9.0-12.8 HG LEU 38 - HE2 LYS 65 far 0 73 0 - 9.1-13.5 HD2 LYS 94 - HE3 LYS 96 far 0 68 0 - 9.4-12.8 HG LEU 38 - HE3 LYS 44 far 0 43 0 - 9.4-12.3 HD2 LYS 94 - HE2 LYS 96 far 0 68 0 - 9.6-12.8 HD3 LYS 94 - HE2 LYS 96 far 0 68 0 - 9.7-13.1 HD3 LYS 94 - HE3 LYS 96 far 0 68 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 6013 from cnoeabs.peaks (3.02, 2.92, 41.78 ppm; 2.79 A): 1 out of 19 assignments used, quality = 1.00: * HE2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 93 - HE3 LYS 94 far 0 70 0 - 4.3-9.3 HB3 PHE 93 - HE3 LYS 96 far 0 40 0 - 5.8-9.0 HB3 PHE 93 - HE2 LYS 65 far 0 69 0 - 5.8-12.8 HB3 PHE 93 - HE2 LYS 96 far 0 40 0 - 5.8-8.8 HE3 LYS 49 - HE2 LYS 44 far 0 66 0 - 6.2-17.7 HB3 PHE 93 - HE3 LYS 65 far 0 69 0 - 6.3-12.4 HE2 LYS 49 - HE2 LYS 44 far 0 66 0 - 7.2-17.9 HB2 ASN 11 - HE2 LYS 16 far 0 86 0 - 7.6-11.9 HE3 LYS 49 - HE3 LYS 44 far 0 66 0 - 7.7-18.8 HB2 ASN 59 - HE2 LYS 16 far 0 76 0 - 8.0-12.2 HB2 ASN 11 - HE3 LYS 16 far 0 86 0 - 8.1-12.0 HB2 ASN 59 - HE3 LYS 16 far 0 76 0 - 8.4-12.6 HE2 LYS 123 - HE3 LYS 115 far 0 86 0 - 8.4-18.2 HE2 LYS 49 - HE3 LYS 44 far 0 66 0 - 8.9-18.9 HE3 LYS 123 - HE3 LYS 115 far 0 78 0 - 9.0-18.5 HE2 LYS 123 - HE2 LYS 115 far 0 86 0 - 9.2-18.0 HE2 LYS 94 - HE3 LYS 96 far 0 68 0 - 9.7-13.6 HE3 LYS 123 - HE2 LYS 115 far 0 78 0 - 10.0-18.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 ARG 95 + HA ARG 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 96 - HA ARG 95 far 0 99 0 - 5.8-6.5 Violated in 0 structures by 0.00 A. Peak 6018 from cnoeabs.peaks (1.97, 4.15, 59.10 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 95 + HA ARG 95 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 96 - HA ARG 95 far 0 100 0 - 5.5-6.6 HB3 GLU 103 - HA ARG 95 far 0 70 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6019 from cnoeabs.peaks (1.88, 4.15, 59.10 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 95 + HA ARG 95 OK 100 100 100 100 3.2-3.7 6027/3.0=61, 1.8/6020=61...(25) Violated in 20 structures by 0.30 A. Peak 6020 from cnoeabs.peaks (1.68, 4.15, 59.10 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + HA ARG 95 OK 100 100 100 100 2.8-3.9 1.8/6019=78, 6048=61...(26) HD3 LYS 96 - HA ARG 95 far 10 97 10 - 4.9-7.2 HD2 LYS 96 - HA ARG 95 far 0 99 0 - 5.1-6.3 Violated in 7 structures by 0.12 A. Peak 6021 from cnoeabs.peaks (3.22, 4.15, 59.10 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + HA ARG 95 OK 100 100 100 100 2.1-5.5 2.9/6019=88, 2.9/6020=84...(26) HD3 ARG 95 + HA ARG 95 OK 100 100 100 100 2.8-5.5 2.9/6019=88, 2.9/6020=84...(26) Violated in 1 structures by 0.00 A. Peak 6022 from cnoeabs.peaks (3.22, 4.15, 59.10 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + HA ARG 95 OK 100 100 100 100 2.8-5.5 2.9/6019=88, 2.9/6020=84...(26) HD2 ARG 95 + HA ARG 95 OK 100 100 100 100 2.1-5.5 2.9/6019=88, 2.9/6020=84...(26) Violated in 1 structures by 0.00 A. Peak 6023 from cnoeabs.peaks (8.16, 1.90, 29.82 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.2-3.0 1629=100, 1631/6027=78...(15) Violated in 0 structures by 0.00 A. Peak 6024 from cnoeabs.peaks (4.15, 1.90, 29.82 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 124 - HB2 GLU 128 far 5 96 5 - 4.9-7.7 HA GLN 122 - HB2 GLU 128 far 0 74 0 - 7.3-10.0 HA GLU 89 - HB2 ARG 95 far 0 100 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 ARG 95 + HB2 ARG 95 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 70 70 100 100 1.8-1.8 1.8=100 HB3 LYS 96 - HB2 ARG 95 far 0 100 0 - 4.4-7.4 HB3 GLU 52 - HB2 GLU 128 far 0 62 0 - 5.7-13.6 Violated in 0 structures by 0.00 A. Peak 6027 from cnoeabs.peaks (1.88, 1.90, 29.82 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.4-2.6 6041=93, 6035/1.8=58...(20) HG LEU 127 - HB2 GLU 128 far 0 62 0 - 5.4-6.9 Violated in 18 structures by 0.08 A. Peak 6028 from cnoeabs.peaks (1.68, 1.90, 29.82 ppm; 3.40 A): 3 out of 4 assignments used, quality = 1.00: * HG3 ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 96 + HB2 ARG 95 OK 59 99 90 66 2.8-6.0 5.7/7789=18, 6036/1.8=18...(15) HD3 LYS 96 + HB2 ARG 95 OK 43 97 70 63 2.5-6.0 5.7/7789=18...(16) HB2 GLU 52 - HB2 GLU 128 far 0 58 0 - 5.9-14.9 Violated in 0 structures by 0.00 A. Peak 6029 from cnoeabs.peaks (3.22, 1.90, 29.82 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.2-4.2 3.9=92, 2.9/6027=82...(20) HD3 ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.3-4.2 3.9=92, 2.9/6027=82...(21) Violated in 0 structures by 0.00 A. Peak 6030 from cnoeabs.peaks (3.22, 1.90, 29.82 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.3-4.2 3.9=92, 2.9/6027=82...(21) HD2 ARG 95 + HB2 ARG 95 OK 100 100 100 100 2.2-4.2 3.9=92, 2.9/6027=82...(20) Violated in 0 structures by 0.00 A. Peak 6031 from cnoeabs.peaks (8.16, 1.97, 29.82 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HB3 ARG 95 OK 100 100 100 100 3.5-3.6 1629/1.8=89, 1630=83...(13) Violated in 0 structures by 0.00 A. Peak 6032 from cnoeabs.peaks (4.15, 1.97, 29.82 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.3-2.7 3.0=100 HA VAL 22 + HB VAL 22 OK 34 34 100 100 2.4-2.5 3.0=100 HA GLN 122 - HB VAL 22 far 0 41 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 6033 from cnoeabs.peaks (1.90, 1.97, 29.82 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 95 + HB3 ARG 95 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 96 - HB3 ARG 95 far 0 99 0 - 5.7-7.2 HB ILE 7 - HB VAL 22 far 0 60 0 - 8.0-10.4 HB2 LYS 20 - HB VAL 22 far 0 57 0 - 8.1-8.9 HB3 LYS 20 - HB VAL 22 far 0 57 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 6034 from cnoeabs.peaks (1.97, 1.97, 29.82 ppm; diagonal): 2 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): 1 out of 5 assignments used, quality = 0.98: * HG2 ARG 95 + HB3 ARG 95 OK 98 100 100 98 3.0-3.0 6027/1.8=63, 3.0=58...(21) HB3 ARG 118 - HB VAL 22 far 0 60 0 - 7.5-10.5 HB ILE 7 - HB VAL 22 far 0 39 0 - 8.0-10.4 HB2 LYS 20 - HB VAL 22 far 0 44 0 - 8.1-8.9 HB3 LYS 20 - HB VAL 22 far 0 44 0 - 8.2-8.9 Violated in 20 structures by 0.54 A. Peak 6036 from cnoeabs.peaks (1.68, 1.97, 29.82 ppm; 3.42 A): 3 out of 7 assignments used, quality = 1.00: * HG3 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.3-2.5 3.0=100 HD2 LYS 96 + HB3 ARG 95 OK 40 99 60 67 3.5-5.7 6028/1.8=21, 5.7/7790=19...(12) HD3 LYS 96 + HB3 ARG 95 OK 20 97 30 70 3.1-6.9 5.7/7790=19, 6028/1.8=15...(26) HD2 LYS 20 - HB VAL 22 far 0 48 0 - 7.9-10.8 HD3 LYS 20 - HB VAL 22 far 0 50 0 - 8.3-11.0 HB ILE 54 - HB VAL 22 far 0 59 0 - 9.5-11.7 HB ILE 56 - HB VAL 22 far 0 46 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6037 from cnoeabs.peaks (3.22, 1.97, 29.82 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.5-3.8 3.9=100 HD3 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.3-3.9 3.9=100 HB2 PHE 120 - HB VAL 22 far 0 61 0 - 7.6-10.7 HA ILE 15 - HB VAL 22 far 0 62 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 6038 from cnoeabs.peaks (3.22, 1.97, 29.82 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.3-3.9 3.9=100 HD2 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.5-3.8 3.9=100 HB2 PHE 120 - HB VAL 22 far 0 60 0 - 7.6-10.7 HA ILE 15 - HB VAL 22 far 0 61 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 6039 from cnoeabs.peaks (8.16, 1.88, 27.31 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HG2 ARG 95 OK 100 100 100 100 1.6-3.0 1631=100, 1629/6027=86...(17) Violated in 0 structures by 0.00 A. Peak 6040 from cnoeabs.peaks (4.15, 1.88, 27.31 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 95 + HG2 ARG 95 OK 100 100 100 100 3.2-3.7 6019=100, 6020/1.8=87...(25) HA GLU 89 - HG2 ARG 95 far 0 100 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 6041 from cnoeabs.peaks (1.90, 1.88, 27.31 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 95 + HG2 ARG 95 OK 100 100 100 100 2.4-2.6 6027=100, 1.8/6035=61...(22) HB2 LYS 96 - HG2 ARG 95 far 0 99 0 - 4.9-7.3 Violated in 15 structures by 0.03 A. Peak 6042 from cnoeabs.peaks (1.97, 1.88, 27.31 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 95 + HG2 ARG 95 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 96 - HG2 ARG 95 far 15 100 15 - 3.6-7.2 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + HG2 ARG 95 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 96 + HG2 ARG 95 OK 24 97 45 55 3.0-6.4 5.7/607=15, 6028/6027=11...(12) HD2 LYS 96 - HG2 ARG 95 far 15 99 15 - 1.9-6.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 HD3 ARG 95 + HG2 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 95 + HG2 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6047 from cnoeabs.peaks (8.16, 1.68, 27.31 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HG3 ARG 95 OK 100 100 100 100 2.2-4.2 1631/1.8=100, 4.7=92...(14) Violated in 0 structures by 0.00 A. Peak 6048 from cnoeabs.peaks (4.15, 1.68, 27.31 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 95 + HG3 ARG 95 OK 100 100 100 100 2.8-3.9 6020=100, 6019/1.8=94...(26) HA GLU 89 - HG3 ARG 95 far 0 100 0 - 7.9-10.6 Violated in 0 structures by 0.00 A. Peak 6049 from cnoeabs.peaks (1.90, 1.68, 27.31 ppm; 2.93 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 95 + HG3 ARG 95 OK 100 100 100 100 2.4-3.0 3.0=98, 6027/1.8=82...(19) HB2 LYS 96 - HG3 ARG 95 far 0 99 0 - 4.8-8.2 Violated in 18 structures by 0.07 A. Peak 6050 from cnoeabs.peaks (1.97, 1.68, 27.31 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 95 + HG3 ARG 95 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 LYS 96 - HG3 ARG 95 far 15 100 15 - 4.7-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 HD3 ARG 95 + HG3 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 95 + HG3 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6055 from cnoeabs.peaks (8.16, 3.22, 43.41 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.6-4.7 1631/2.9=98, 1629/3.9=91...(17) H ARG 95 + HD3 ARG 95 OK 100 100 100 100 3.3-4.9 1631/2.9=98, 1629/3.9=91...(18) Violated in 0 structures by 0.00 A. Peak 6056 from cnoeabs.peaks (4.15, 3.22, 43.41 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.1-5.5 6019/2.9=93, 6020/2.9=89...(26) HA ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.8-5.5 6019/2.9=93, 6020/2.9=89...(26) HA GLU 89 - HD3 ARG 95 far 0 100 0 - 7.5-11.1 HA GLU 89 - HD2 ARG 95 far 0 100 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 6057 from cnoeabs.peaks (1.90, 3.22, 43.41 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.2-4.2 6027/2.9=70, 3.9=66...(20) HB2 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-4.2 6027/2.9=70, 3.9=66...(20) HB2 LYS 96 - HD3 ARG 95 far 0 99 0 - 6.5-9.2 HB2 LYS 96 - HD2 ARG 95 far 0 99 0 - 7.0-9.5 Violated in 2 structures by 0.00 A. Peak 6058 from cnoeabs.peaks (1.97, 3.22, 43.41 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.5-3.8 3.9=100 HB3 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-3.9 3.9=100 HB3 LYS 96 - HD3 ARG 95 far 0 100 0 - 5.4-8.7 HB3 LYS 96 - HD2 ARG 95 far 0 100 0 - 5.9-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6060 from cnoeabs.peaks (1.68, 3.22, 43.41 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 96 - HD2 ARG 95 poor 20 99 20 - 4.0-7.5 HD3 LYS 96 - HD2 ARG 95 poor 19 97 20 - 3.9-8.4 HD2 LYS 96 - HD3 ARG 95 poor 15 99 40 37 3.0-7.2 6028/3.9=12, 6036/3.9=10...(6) HD3 LYS 96 - HD3 ARG 95 poor 12 97 40 30 3.0-8.2 6044/2.9=12, 6028/3.9=9...(5) Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * H ARG 95 + HD3 ARG 95 OK 100 100 100 100 3.3-4.9 1631/2.9=98, 1629/3.9=91...(18) H ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.6-4.7 1631/2.9=98, 1629/3.9=91...(17) Violated in 0 structures by 0.00 A. Peak 6064 from cnoeabs.peaks (4.15, 3.22, 43.41 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.8-5.5 6019/2.9=93, 6020/2.9=89...(26) HA ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.1-5.5 6019/2.9=93, 6020/2.9=89...(26) HA GLU 89 - HD3 ARG 95 far 0 100 0 - 7.5-11.1 HA GLU 89 - HD2 ARG 95 far 0 100 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 6065 from cnoeabs.peaks (1.90, 3.22, 43.41 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-4.2 6027/2.9=70, 3.9=66...(20) HB2 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.2-4.2 6027/2.9=70, 3.9=66...(20) HB2 LYS 96 - HD3 ARG 95 far 0 99 0 - 6.5-9.2 HB2 LYS 96 - HD2 ARG 95 far 0 99 0 - 7.0-9.5 Violated in 2 structures by 0.00 A. Peak 6066 from cnoeabs.peaks (1.97, 3.22, 43.41 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-3.9 3.9=100 HB3 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.5-3.8 3.9=100 HB3 LYS 96 - HD3 ARG 95 far 0 100 0 - 5.4-8.7 HB3 LYS 96 - HD2 ARG 95 far 0 100 0 - 5.9-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6068 from cnoeabs.peaks (1.68, 3.22, 43.41 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 96 - HD2 ARG 95 poor 20 99 20 - 4.0-7.5 HD3 LYS 96 - HD2 ARG 95 poor 19 97 20 - 3.9-8.4 HD2 LYS 96 - HD3 ARG 95 poor 15 99 40 37 3.0-7.2 6028/3.9=12, 6036/3.9=10...(6) HD3 LYS 96 - HD3 ARG 95 poor 12 97 40 30 3.0-8.2 6044/2.9=12, 6028/3.9=9...(5) Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * H LYS 96 + HA LYS 96 OK 100 100 100 100 2.8-2.9 2.9=100 H LYS 40 + HA GLU 37 OK 52 52 100 99 3.9-4.3 2040=93, 1251/8044=53...(5) H LYS 96 - HA GLU 91 far 0 70 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB2 LYS 96 + HA LYS 96 OK 99 100 100 99 2.7-3.0 3.0=83, 2.9/6075=35...(35) HB2 ARG 95 + HA LYS 96 OK 54 99 75 72 3.9-5.5 7789/2.9=22, ~7790=16...(16) HB2 ARG 95 - HA GLU 91 far 0 68 0 - 4.8-6.8 HB3 LYS 44 - HA GLU 37 far 0 55 0 - 6.7-9.6 HB2 LYS 44 - HA GLU 37 far 0 48 0 - 7.1-9.3 HB2 LYS 43 - HA GLU 37 far 0 54 0 - 7.9-8.7 HB2 LYS 96 - HA GLU 91 far 0 70 0 - 8.0-9.7 HB3 LYS 43 - HA GLU 37 far 0 57 0 - 9.5-10.3 Violated in 6 structures by 0.05 A. Peak 6074 from cnoeabs.peaks (1.97, 4.07, 58.93 ppm; 2.97 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 96 + HA LYS 96 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 40 - HA GLU 37 poor 16 28 95 61 3.9-4.7 8044=33, 4.0/2040=29 HB3 ARG 95 - HA LYS 96 far 10 100 10 - 4.0-5.1 HB3 ARG 95 - HA GLU 91 far 0 70 0 - 6.4-7.1 HB3 LYS 96 - HA GLU 91 far 0 70 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 6075 from cnoeabs.peaks (1.44, 4.07, 58.93 ppm; 3.46 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 96 + HA LYS 96 OK 100 100 100 100 2.4-3.7 4.0=67, 1.8/6076=64...(62) HG2 LYS 39 - HA GLU 37 poor 8 33 25 - 3.9-7.7 HG3 LYS 44 - HA GLU 37 far 0 57 0 - 6.1-8.3 HG3 ARG 30 - HA GLU 37 far 0 44 0 - 7.1-11.4 HG2 LYS 96 - HA GLU 91 far 0 70 0 - 8.5-10.6 HG LEU 80 - HA LYS 96 far 0 100 0 - 8.7-11.7 HB3 LEU 63 - HA GLU 37 far 0 39 0 - 8.7-9.7 HG12 ILE 56 - HA GLU 37 far 0 42 0 - 9.3-12.2 HG LEU 80 - HA GLU 91 far 0 70 0 - 9.5-11.6 Violated in 19 structures by 0.10 A. Peak 6076 from cnoeabs.peaks (1.57, 4.07, 58.93 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 96 + HA LYS 96 OK 100 100 100 100 2.1-3.6 1.8/6075=69, 4.0=63...(61) HD2 LYS 106 - HA GLU 91 poor 8 61 45 29 3.3-7.0 1.8/11540=10, 11540=9...(4) HD3 LYS 106 - HA GLU 91 poor 6 63 35 29 2.2-6.9 1.8/11540=10, 11540=9...(4) HG2 LYS 44 - HA GLU 37 far 0 44 0 - 6.7-9.2 HG3 LYS 96 - HA GLU 91 far 0 70 0 - 6.9-10.2 HD2 LYS 106 - HA LYS 96 far 0 94 0 - 9.7-15.1 Violated in 7 structures by 0.04 A. Peak 6077 from cnoeabs.peaks (1.68, 4.07, 58.93 ppm; 3.16 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 96 + HA LYS 96 OK 100 100 100 100 1.8-3.1 3.0/6075=45, 3.0/6076=40...(85) HD3 LYS 96 + HA LYS 96 OK 100 100 100 100 2.4-4.3 3.0/6075=45, 3.0/6076=40...(83) HG3 ARG 95 + HA LYS 96 OK 20 99 25 83 3.3-6.6 7792/2.9=26, ~607=25...(12) HG3 LYS 39 - HA GLU 37 poor 9 31 30 - 3.9-7.8 HD3 LYS 40 - HA GLU 37 far 6 57 10 - 2.7-7.1 HD2 LYS 40 - HA GLU 37 far 6 57 10 - 3.9-7.4 HG3 ARG 95 - HA GLU 91 far 0 67 0 - 4.7-7.8 HD2 LYS 96 - HA GLU 91 far 0 70 0 - 7.4-9.6 HD3 LYS 96 - HA GLU 91 far 0 70 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 6078 from cnoeabs.peaks (1.68, 4.07, 58.93 ppm; 3.16 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 96 + HA LYS 96 OK 100 100 100 100 2.4-4.3 3.0/6075=45, 3.0/6076=40...(83) HD2 LYS 96 + HA LYS 96 OK 100 100 100 100 1.8-3.1 3.0/6075=45, 3.0/6076=40...(85) HG3 ARG 95 + HA LYS 96 OK 20 97 25 83 3.3-6.6 ~607=25, 7792/2.9=25...(12) HG3 LYS 39 - HA GLU 37 poor 11 35 30 - 3.9-7.8 HD2 LYS 40 - HA GLU 37 far 6 57 10 - 3.9-7.4 HD3 LYS 40 - HA GLU 37 far 6 57 10 - 2.7-7.1 HG3 ARG 95 - HA GLU 91 far 0 65 0 - 4.7-7.8 HD2 LYS 44 - HA GLU 37 far 0 31 0 - 5.7-10.5 HD2 LYS 96 - HA GLU 91 far 0 70 0 - 7.4-9.6 HD3 LYS 96 - HA GLU 91 far 0 70 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 6079 from cnoeabs.peaks (2.93, 4.07, 58.93 ppm; 4.07 A): 3 out of 12 assignments used, quality = 1.00: * HE2 LYS 96 + HA LYS 96 OK 100 100 100 100 3.3-5.2 3.8/6075=58, 3.8/6076=52...(65) HE3 LYS 96 + HA LYS 96 OK 100 100 100 100 3.3-4.7 3.8/6075=58, 3.8/6076=52...(65) HE3 LYS 94 + HA GLU 91 OK 39 52 90 84 1.9-5.9 4.8/8194=34, 4.8/8196=31...(12) HE3 LYS 65 - HA LYS 96 poor 10 81 40 31 4.5-11.8 6099/3.0=5, ~6100=3...(15) HE2 LYS 65 - HA LYS 96 far 8 81 10 - 4.4-11.7 HE3 LYS 44 - HA GLU 37 far 3 57 5 - 5.1-9.3 HE2 LYS 44 - HA GLU 37 far 0 57 0 - 5.7-10.1 HD3 ARG 30 - HA GLU 37 far 0 56 0 - 7.1-11.5 HE3 LYS 94 - HA LYS 96 far 0 84 0 - 7.7-10.9 HE2 LYS 96 - HA GLU 91 far 0 70 0 - 8.0-10.9 HE3 LYS 96 - HA GLU 91 far 0 70 0 - 8.1-10.4 HB2 ASP 86 - HA GLU 91 far 0 69 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 6080 from cnoeabs.peaks (2.93, 4.07, 58.93 ppm; 6.20 A): 5 out of 12 assignments used, quality = 1.00: * HE3 LYS 96 + HA LYS 96 OK 100 100 100 100 3.3-4.7 3.8/6075=97, 6.3=96...(66) HE2 LYS 96 + HA LYS 96 OK 100 100 100 100 3.3-5.2 3.8/6075=97, 6.3=96...(65) HE3 LYS 94 + HA GLU 91 OK 52 52 100 100 1.9-5.9 4.8/8194=73, 4.8/8196=69...(12) HE3 LYS 65 + HA LYS 96 OK 35 81 80 53 4.5-11.8 6100/3.0=9, 3971=6...(22) HE2 LYS 65 + HA LYS 96 OK 33 81 75 54 4.4-11.7 ~6100=8, ~6099=8...(21) HD3 ARG 30 - HA GLU 37 far 3 56 5 - 7.1-11.5 HE3 LYS 44 - HA GLU 37 lone 2 57 50 6 5.1-9.3 6154/8044=3 HE2 LYS 44 - HA GLU 37 lone 2 57 50 6 5.7-10.1 6154/8044=3 HE3 LYS 94 - HA LYS 96 far 0 84 0 - 7.7-10.9 HE2 LYS 96 - HA GLU 91 far 0 70 0 - 8.0-10.9 HE3 LYS 96 - HA GLU 91 far 0 70 0 - 8.1-10.4 HB2 ASP 86 - HA GLU 91 far 0 69 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 6081 from cnoeabs.peaks (7.79, 1.90, 32.07 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.7-3.5 6091/1.8=74, 4.1=54...(21) H LYS 40 + HB2 LYS 43 OK 63 84 100 75 4.0-4.6 3.0/8066=30, 1253/3.0=17...(10) H LYS 40 - HB3 LYS 44 poor 19 93 20 - 4.7-7.5 H LYS 40 - HB2 LYS 44 far 4 77 5 - 4.7-7.5 H LYS 40 - HB3 LYS 43 far 0 92 0 - 5.6-6.3 H GLU 66 - HB2 LYS 96 far 0 70 0 - 8.9-10.3 Violated in 8 structures by 0.01 A. Peak 6082 from cnoeabs.peaks (4.07, 1.90, 32.07 ppm; 2.71 A): 3 out of 16 assignments used, quality = 1.00: * HA LYS 96 + HB2 LYS 96 OK 99 100 100 99 2.7-3.0 3.0=77, 6075/2.9=33...(33) HA LYS 44 + HB3 LYS 44 OK 94 96 100 98 2.3-3.0 3.0=75, 3904/2.9=33...(33) HA LYS 44 + HB2 LYS 44 OK 80 81 100 98 2.3-3.0 3.0=75, 3904/2.9=33...(33) HA LYS 44 - HB3 LYS 43 far 10 95 10 - 4.1-4.6 HA LYS 44 - HB2 LYS 43 far 4 88 5 - 4.2-4.5 HA GLU 69 - HB3 LYS 73 far 0 78 0 - 4.2-8.2 HA GLU 69 - HB2 LYS 73 far 0 81 0 - 5.9-7.5 HA3 GLY 125 - HB3 LYS 123 far 0 43 0 - 6.7-7.0 HA GLU 37 - HB3 LYS 44 far 0 94 0 - 6.7-9.6 HA GLU 37 - HB2 LYS 44 far 0 78 0 - 7.1-9.3 HA2 GLY 125 - HB3 LYS 123 far 0 31 0 - 7.1-7.5 HA GLU 37 - HB2 LYS 43 far 0 86 0 - 7.9-8.7 HA GLU 91 - HB2 LYS 96 far 0 96 0 - 8.0-9.7 HA GLU 69 - HB2 LYS 96 far 0 92 0 - 9.2-11.1 HA GLU 37 - HB3 LYS 43 far 0 93 0 - 9.5-10.3 HA SER 35 - HB2 LYS 43 far 0 50 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6083 from cnoeabs.peaks (1.90, 1.90, 32.07 ppm; diagonal): 10 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 16 assignments used, quality = 1.00: * HB3 LYS 96 + HB2 LYS 96 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 40 - HB3 LYS 44 poor 11 57 20 - 2.8-5.8 HB2 LYS 40 - HB2 LYS 44 far 2 44 5 - 2.9-5.7 HB3 GLU 21 - HB2 LYS 20 far 0 74 0 - 4.0-7.4 HB3 GLU 21 - HB3 LYS 20 far 0 74 0 - 4.4-6.9 HB2 LYS 40 - HB2 LYS 43 far 0 50 0 - 4.7-5.2 HB3 ARG 95 - HB2 LYS 96 far 0 100 0 - 5.7-7.2 HB2 LYS 40 - HB3 LYS 43 far 0 56 0 - 5.9-6.7 HB3 GLU 103 - HB3 LYS 123 far 0 26 0 - 6.6-9.5 HB3 GLU 52 - HB2 LYS 44 far 0 44 0 - 6.9-16.7 HB3 GLU 52 - HB3 LYS 44 far 0 57 0 - 7.4-17.0 HB VAL 29 - HB2 LYS 20 far 0 41 0 - 7.9-10.9 HB VAL 22 - HB2 LYS 20 far 0 55 0 - 8.1-8.9 HB VAL 22 - HB3 LYS 20 far 0 55 0 - 8.2-8.9 HB VAL 29 - HB3 LYS 20 far 0 41 0 - 8.5-10.9 HB3 GLU 128 - HB3 LYS 123 far 0 24 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 6085 from cnoeabs.peaks (1.44, 1.90, 32.07 ppm; 2.85 A): 3 out of 27 assignments used, quality = 1.00: * HG2 LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.3-2.6 2.9=96, 6075/3.0=36...(39) HG3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.2-2.9 2.9=91, 3905/3.0=33...(49) HG3 LYS 44 + HB2 LYS 44 OK 82 82 100 100 2.2-2.9 2.9=91, 3905/3.0=33...(49) HG3 LYS 44 - HB2 LYS 43 far 0 90 0 - 4.6-6.4 HG2 LYS 39 - HB2 LYS 43 far 0 57 0 - 4.8-7.4 HG3 LYS 17 - HB3 LYS 20 far 0 60 0 - 5.3-8.2 HG3 LYS 49 - HB2 LYS 44 far 0 47 0 - 5.3-13.6 HG3 LYS 17 - HB2 LYS 20 far 0 60 0 - 5.3-7.3 HG3 LYS 44 - HB3 LYS 43 far 0 96 0 - 5.5-7.1 HG2 LYS 49 - HB2 LYS 44 far 0 47 0 - 5.6-14.3 HG2 LYS 39 - HB3 LYS 44 far 0 64 0 - 5.9-11.9 HG2 LYS 39 - HB3 LYS 43 far 0 64 0 - 6.2-8.7 HG LEU 80 - HB2 LYS 96 far 0 100 0 - 7.0-9.8 HG3 LYS 49 - HB3 LYS 44 far 0 61 0 - 7.1-12.9 HG12 ILE 56 - HB2 LYS 44 far 0 63 0 - 7.1-11.4 HG2 LYS 49 - HB3 LYS 44 far 0 61 0 - 7.3-13.9 HG2 LYS 39 - HB2 LYS 44 far 0 51 0 - 7.4-11.4 HG3 ARG 30 - HB2 LYS 44 far 0 66 0 - 7.6-11.2 HB3 LYS 61 - HB2 LYS 96 far 0 96 0 - 7.6-9.9 HG12 ILE 56 - HB3 LYS 44 far 0 78 0 - 8.1-11.2 HG3 ARG 30 - HB3 LYS 44 far 0 82 0 - 8.1-11.4 HG LEU 4 - HB2 LYS 44 far 0 68 0 - 8.2-13.5 HB3 LEU 4 - HB2 LYS 44 far 0 82 0 - 8.4-13.1 HG LEU 4 - HB3 LYS 44 far 0 84 0 - 9.2-13.1 HB3 LEU 4 - HB3 LYS 44 far 0 97 0 - 9.3-13.0 HB2 LEU 4 - HB2 LYS 44 far 0 82 0 - 9.5-13.9 HG2 LYS 49 - HB3 LYS 43 far 0 60 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. Peak 6086 from cnoeabs.peaks (1.57, 1.90, 32.07 ppm; 2.82 A): 4 out of 18 assignments used, quality = 1.00: * HG3 LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.3-2.6 2.9=93, 6076/3.0=32...(38) HG2 LYS 44 + HB3 LYS 44 OK 81 82 100 100 2.6-3.0 2.9=89, 3904/3.0=26...(48) HG2 LYS 44 + HB2 LYS 44 OK 66 66 100 100 2.6-3.0 2.9=89, 3904/3.0=26...(48) HG2 LYS 123 + HB3 LYS 123 OK 41 41 100 100 2.2-2.3 2.9=89, 2.9/7120=33...(42) HG2 LYS 44 - HB2 LYS 43 poor 10 73 55 25 3.9-5.5 1286/4.7=17, 3904/3903=5, 6113=4 HG2 LYS 44 - HB3 LYS 43 far 0 81 0 - 4.8-6.1 HB3 LEU 70 - HB2 LYS 73 far 0 93 0 - 5.0-8.2 HB3 LEU 70 - HB2 LYS 43 far 0 90 0 - 5.9-8.8 HB3 LEU 70 - HB3 LYS 73 far 0 90 0 - 6.0-8.0 HB3 LEU 70 - HB3 LYS 43 far 0 97 0 - 6.3-9.6 HG12 ILE 3 - HB3 LYS 123 far 0 37 0 - 8.0-9.2 HG LEU 68 - HB2 LYS 96 far 0 65 0 - 8.8-10.0 HB3 LEU 70 - HB3 LYS 44 far 0 97 0 - 8.9-11.5 HB3 LEU 70 - HB2 LYS 44 far 0 83 0 - 8.9-11.3 HD2 LYS 106 - HB2 LYS 96 far 0 94 0 - 9.1-14.8 HG LEU 55 - HB3 LYS 20 far 0 72 0 - 9.3-12.8 HG LEU 55 - HB2 LYS 20 far 0 72 0 - 9.7-12.4 HB VAL 78 - HB3 LYS 73 far 0 70 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 6087 from cnoeabs.peaks (1.68, 1.90, 32.07 ppm; 2.60 A): 15 out of 54 assignments used, quality = 1.00: * HD2 LYS 96 + HB2 LYS 96 OK 99 100 100 99 3.5-3.8 3.4=43, 6097/1.8=30...(76) HD3 LYS 96 + HB2 LYS 96 OK 94 100 95 99 3.5-4.1 3.4=43, 6097/1.8=30...(74) HD2 LYS 43 + HB3 LYS 43 OK 93 96 100 96 2.0-3.3 3.8=31, 3846/3.0=20...(75) HD3 LYS 43 + HB3 LYS 43 OK 92 96 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD3 LYS 73 + HB2 LYS 73 OK 90 92 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) HD2 LYS 73 + HB2 LYS 73 OK 89 91 100 98 2.1-3.6 3.8=31, 5187/2.9=23...(79) HD3 LYS 73 + HB3 LYS 73 OK 87 89 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) HD2 LYS 43 + HB2 LYS 43 OK 87 90 100 97 3.1-3.8 3.8=31, 3846/3.0=20...(81) HD2 LYS 73 + HB3 LYS 73 OK 82 89 95 98 2.1-4.2 3.8=31, 5187/2.9=23...(79) HD3 LYS 20 + HB3 LYS 20 OK 69 70 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 67 68 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD2 LYS 20 + HB2 LYS 20 OK 64 68 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 43 + HB2 LYS 43 OK 60 89 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD3 LYS 20 + HB2 LYS 20 OK 48 70 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HG3 LYS 123 + HB3 LYS 123 OK 22 22 100 99 2.9-3.0 2.9=69, 2.9/7120=27...(33) HD2 LYS 40 - HB3 LYS 43 poor 19 97 20 - 3.7-7.2 HD3 LYS 40 - HB2 LYS 43 lone 10 90 75 15 2.8-6.1 3655/8066=8, 1256/6081=4...(4) HD2 LYS 40 - HB3 LYS 44 far 10 97 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 8 90 65 14 2.9-6.0 3655/8066=8, 1256/6081=4 HD3 LYS 40 - HB3 LYS 43 lone 4 97 30 13 3.8-7.6 3655/8066=8, 1278/4.0=3 HD2 LYS 40 - HB2 LYS 44 far 0 83 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 97 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 83 0 - 4.3-7.9 HG3 ARG 95 - HB2 LYS 96 far 0 99 0 - 4.8-8.2 HG3 LYS 39 - HB2 LYS 43 far 0 53 0 - 5.0-7.3 HD3 LYS 43 - HB2 LYS 73 far 0 92 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 60 0 - 6.4-8.7 HG12 ILE 71 - HB3 LYS 73 far 0 70 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 93 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 90 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 73 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 83 0 - 7.1-11.9 HD2 LYS 17 - HB3 LYS 20 far 0 74 0 - 7.3-9.6 HD2 LYS 43 - HB2 LYS 44 far 0 82 0 - 7.3-8.8 HD3 LYS 43 - HB3 LYS 73 far 0 89 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 97 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 74 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 61 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 71 0 - 7.6-10.2 HG3 LYS 39 - HB2 LYS 44 far 0 47 0 - 7.6-11.6 HD2 LYS 16 - HB2 LYS 20 far 0 71 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 82 0 - 7.8-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 67 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 96 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 67 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 91 0 - 8.7-12.8 HB ILE 56 - HB2 LYS 44 far 0 75 0 - 8.9-13.2 HD3 LYS 73 - HB2 LYS 43 far 0 89 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 95 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 70 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 78 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 88 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6088 from cnoeabs.peaks (1.68, 1.90, 32.07 ppm; 2.60 A): 17 out of 58 assignments used, quality = 1.00: HD2 LYS 96 + HB2 LYS 96 OK 99 100 100 99 3.5-3.8 3.4=43, 6098/1.8=30...(76) * HD3 LYS 96 + HB2 LYS 96 OK 94 100 95 99 3.5-4.1 3.4=43, 6098/1.8=30...(74) HD3 LYS 43 + HB3 LYS 43 OK 93 97 100 96 2.7-3.7 3.8=31, 3847/3.0=20...(74) HD2 LYS 43 + HB3 LYS 43 OK 92 95 100 96 2.0-3.3 3.8=31, 3847/3.0=20...(75) HD3 LYS 73 + HB2 LYS 73 OK 91 93 100 98 2.0-4.0 3.8=31, 5187/2.9=23...(80) HD2 LYS 73 + HB2 LYS 73 OK 90 93 100 98 2.1-3.6 3.8=31, 5187/2.9=23...(79) HD3 LYS 73 + HB3 LYS 73 OK 88 90 100 98 2.3-3.7 3.8=31, 5187/2.9=23...(80) HD2 LYS 43 + HB2 LYS 43 OK 86 88 100 97 3.1-3.8 3.8=31, 3847/3.0=20...(81) HD2 LYS 73 + HB3 LYS 73 OK 84 90 95 98 2.1-4.2 3.8=31, 5187/2.9=23...(79) HD3 LYS 20 + HB3 LYS 20 OK 71 72 100 98 2.3-3.8 3.4=43, 3079/2.9=21...(72) HD2 LYS 20 + HB3 LYS 20 OK 70 71 100 98 2.2-4.0 3.4=43, 3079/2.9=21...(71) HD2 LYS 20 + HB2 LYS 20 OK 67 71 95 98 2.2-4.2 3.4=43, 3079/2.9=21...(74) HD3 LYS 43 + HB2 LYS 43 OK 61 90 70 97 3.8-4.2 3.8=31, 3847/3.0=20...(80) HD3 LYS 20 + HB2 LYS 20 OK 50 72 70 98 2.0-4.2 3.4=43, 3079/2.9=21...(74) HD2 LYS 44 + HB3 LYS 44 OK 48 61 80 98 2.3-4.2 3.7=36, 1.8/3953=16...(77) HD2 LYS 44 + HB2 LYS 44 OK 47 47 100 98 2.5-3.7 3.7=36, 1.8/3963=14...(79) HG3 LYS 123 + HB3 LYS 123 OK 25 26 100 99 2.9-3.0 2.9=69, 2.9/7120=27...(33) HD2 LYS 40 - HB3 LYS 43 poor 19 97 20 - 3.7-7.2 HD3 LYS 40 - HB2 LYS 43 lone 10 90 75 15 2.8-6.1 3654/8066=8, 1256/6081=4...(4) HD2 LYS 40 - HB3 LYS 44 far 10 97 10 - 3.8-8.5 HD2 LYS 40 - HB2 LYS 43 lone 8 90 65 14 2.9-6.0 3654/8066=8, 1256/6081=4 HD3 LYS 40 - HB3 LYS 43 lone 4 96 30 13 3.8-7.6 3654/8066=8, 1279/4.0=3 HD2 LYS 40 - HB2 LYS 44 far 0 83 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 97 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 82 0 - 4.3-7.9 HG3 ARG 95 - HB2 LYS 96 far 0 97 0 - 4.8-8.2 HG3 LYS 39 - HB2 LYS 43 far 0 60 0 - 5.0-7.3 HD2 LYS 44 - HB2 LYS 43 far 0 53 0 - 5.8-7.6 HD3 LYS 43 - HB2 LYS 73 far 0 93 0 - 6.0-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 67 0 - 6.4-8.7 HD2 LYS 44 - HB3 LYS 43 far 0 60 0 - 6.7-8.0 HG12 ILE 71 - HB3 LYS 73 far 0 76 0 - 6.7-10.2 HD2 LYS 43 - HB2 LYS 73 far 0 91 0 - 6.7-12.2 HD2 LYS 43 - HB3 LYS 73 far 0 89 0 - 7.0-12.3 HG12 ILE 71 - HB2 LYS 73 far 0 79 0 - 7.1-9.0 HB ILE 54 - HB2 LYS 44 far 0 83 0 - 7.1-11.9 HD2 LYS 17 - HB3 LYS 20 far 0 74 0 - 7.3-9.6 HD2 LYS 43 - HB2 LYS 44 far 0 81 0 - 7.3-8.8 HD3 LYS 43 - HB3 LYS 73 far 0 90 0 - 7.3-10.7 HB ILE 54 - HB3 LYS 44 far 0 97 0 - 7.3-11.9 HD2 LYS 43 - HB3 LYS 44 far 0 96 0 - 7.3-9.0 HD2 LYS 17 - HB2 LYS 20 far 0 74 0 - 7.4-9.7 HG3 LYS 39 - HB3 LYS 44 far 0 68 0 - 7.4-11.8 HD2 LYS 16 - HB3 LYS 20 far 0 73 0 - 7.6-10.2 HG3 LYS 39 - HB2 LYS 44 far 0 54 0 - 7.6-11.6 HD2 LYS 16 - HB2 LYS 20 far 0 73 0 - 7.7-9.9 HD3 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 83 0 - 7.8-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 70 0 - 8.0-11.1 HD3 LYS 73 - HB3 LYS 43 far 0 97 0 - 8.3-12.6 HD3 LYS 16 - HB2 LYS 20 far 0 70 0 - 8.4-10.7 HB ILE 56 - HB3 LYS 44 far 0 94 0 - 8.7-12.8 HB ILE 56 - HB2 LYS 44 far 0 78 0 - 8.9-13.2 HD3 LYS 73 - HB2 LYS 43 far 0 90 0 - 8.9-12.9 HD2 LYS 73 - HB3 LYS 43 far 0 96 0 - 8.9-12.9 HG12 ILE 71 - HB2 LYS 43 far 0 76 0 - 9.1-12.1 HG12 ILE 71 - HB3 LYS 44 far 0 84 0 - 9.4-13.8 HD2 LYS 73 - HB2 LYS 43 far 0 90 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6089 from cnoeabs.peaks (2.93, 1.90, 32.07 ppm; 3.67 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.0-4.9 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 1.9-4.7 5.0=40, 3.0/3953=20...(65) HE3 LYS 96 + HB2 LYS 96 OK 80 100 80 100 4.3-5.5 4.9=42, 6099/1.8=25...(61) HE3 LYS 44 + HB2 LYS 44 OK 79 83 95 100 2.4-5.3 5.0=40, 3.0/3953=21...(68) HE2 LYS 44 + HB2 LYS 44 OK 74 83 90 100 2.0-5.4 5.0=40, 3.0/3953=21...(68) * HE2 LYS 96 + HB2 LYS 96 OK 70 100 70 100 4.5-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 65 - HB2 LYS 96 poor 18 81 65 33 2.8-9.7 6099/1.8=4, ~6100=4...(16) HE3 LYS 65 - HB2 LYS 96 poor 17 81 75 27 2.2-9.7 6099/1.8=6, ~6100=3...(10) HE3 LYS 44 - HB2 LYS 43 far 0 90 0 - 5.3-8.5 HE2 LYS 44 - HB2 LYS 43 far 0 90 0 - 5.6-9.0 HE3 LYS 44 - HB3 LYS 43 far 0 97 0 - 6.3-9.3 HE2 LYS 44 - HB3 LYS 43 far 0 97 0 - 6.3-9.4 HD3 ARG 30 - HB2 LYS 44 far 0 82 0 - 6.7-11.4 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 7.2-11.2 HE3 LYS 94 - HB2 LYS 96 far 0 84 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 6090 from cnoeabs.peaks (2.93, 1.90, 32.07 ppm; 3.67 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.0-4.9 5.0=40, 3.0/3953=20...(65) HE3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 1.9-4.7 5.0=40, 3.0/3953=20...(65) * HE3 LYS 96 + HB2 LYS 96 OK 80 100 80 100 4.3-5.5 4.9=42, 6099/1.8=25...(61) HE3 LYS 44 + HB2 LYS 44 OK 79 83 95 100 2.4-5.3 5.0=40, 3.0/3953=21...(68) HE2 LYS 44 + HB2 LYS 44 OK 74 83 90 100 2.0-5.4 5.0=40, 3.0/3953=21...(68) HE2 LYS 96 + HB2 LYS 96 OK 70 100 70 100 4.5-5.5 4.9=42, 6099/1.8=25...(61) HE2 LYS 65 - HB2 LYS 96 poor 18 81 65 33 2.8-9.7 6099/1.8=4, ~6100=4...(16) HE3 LYS 65 - HB2 LYS 96 poor 17 81 75 27 2.2-9.7 6099/1.8=6, ~6100=3...(10) HE3 LYS 44 - HB2 LYS 43 far 0 90 0 - 5.3-8.5 HE2 LYS 44 - HB2 LYS 43 far 0 90 0 - 5.6-9.0 HE3 LYS 44 - HB3 LYS 43 far 0 97 0 - 6.3-9.3 HE2 LYS 44 - HB3 LYS 43 far 0 97 0 - 6.3-9.4 HD3 ARG 30 - HB2 LYS 44 far 0 82 0 - 6.7-11.4 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 7.2-11.2 HE3 LYS 94 - HB2 LYS 96 far 0 84 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 6091 from cnoeabs.peaks (7.79, 1.97, 32.07 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 96 + HB3 LYS 96 OK 99 100 100 99 2.1-3.6 1939/7797=50, 4.1=47...(25) H GLU 66 - HB3 LYS 96 far 0 70 0 - 8.9-11.6 Violated in 6 structures by 0.13 A. Peak 6092 from cnoeabs.peaks (4.07, 1.97, 32.07 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 91 - HB3 LYS 96 far 0 96 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 6093 from cnoeabs.peaks (1.90, 1.97, 32.07 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 96 + HB3 LYS 96 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 95 - HB3 LYS 96 far 0 99 0 - 4.4-7.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 80 - HB3 LYS 96 far 0 100 0 - 7.4-10.3 HB3 LYS 61 - HB3 LYS 96 far 0 96 0 - 7.4-10.0 Violated in 0 structures by 0.00 A. Peak 6096 from cnoeabs.peaks (1.57, 1.97, 32.07 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 106 - HB3 LYS 96 far 0 94 0 - 8.0-15.4 HD3 LYS 106 - HB3 LYS 96 far 0 96 0 - 9.1-15.1 HG LEU 68 - HB3 LYS 96 far 0 65 0 - 9.1-11.2 Violated in 16 structures by 0.01 A. Peak 6097 from cnoeabs.peaks (1.68, 1.97, 32.07 ppm; 2.71 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.3-2.9 3.4=48, 6117/2.9=24...(119) HD3 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.3-3.9 3.4=48, 6117/2.9=24...(115) HG3 ARG 95 - HB3 LYS 96 far 0 99 0 - 4.7-8.2 Violated in 1 structures by 0.01 A. Peak 6098 from cnoeabs.peaks (1.68, 1.97, 32.07 ppm; 2.71 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.3-3.9 3.4=48, 6117/2.9=24...(115) HD2 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.3-2.9 3.4=48, 6117/2.9=24...(119) HG3 ARG 95 - HB3 LYS 96 far 0 97 0 - 4.7-8.2 Violated in 1 structures by 0.01 A. Peak 6099 from cnoeabs.peaks (2.93, 1.97, 32.07 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: HE3 LYS 96 + HB3 LYS 96 OK 100 100 100 100 3.2-4.7 4.9=62, 3.0/6097=43...(97) * HE2 LYS 96 + HB3 LYS 96 OK 100 100 100 100 4.2-5.0 4.9=62, 3.0/6097=43...(97) HE3 LYS 65 + HB3 LYS 96 OK 22 81 70 38 2.8-10.9 6144=7, 1.8/6154=4...(20) HE2 LYS 65 - HB3 LYS 96 poor 16 81 45 43 2.5-11.0 1.8/6154=5, 6154=5...(24) HE3 LYS 94 - HB3 LYS 96 far 0 84 0 - 6.7-10.8 Violated in 0 structures by 0.00 A. Peak 6100 from cnoeabs.peaks (2.93, 1.97, 32.07 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 96 + HB3 LYS 96 OK 100 100 100 100 3.2-4.7 4.9=62, 3.0/6097=43...(97) HE2 LYS 96 + HB3 LYS 96 OK 100 100 100 100 4.2-5.0 4.9=62, 3.0/6097=43...(97) HE3 LYS 65 + HB3 LYS 96 OK 22 81 70 38 2.8-10.9 6144=7, 1.8/6154=4...(20) HE2 LYS 65 - HB3 LYS 96 poor 16 81 45 43 2.5-11.0 1.8/6154=5, 6154=5...(24) HE3 LYS 94 - HB3 LYS 96 far 0 84 0 - 6.7-10.8 Violated in 0 structures by 0.00 A. Peak 6101 from cnoeabs.peaks (7.79, 1.44, 24.91 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 96 + HG2 LYS 96 OK 100 100 100 100 3.6-4.4 6091/2.9=82, 1640/1.8=79...(23) H LYS 40 - HG3 LYS 44 lone 13 96 70 18 4.5-6.9 4.0/6104=8, 6111/1.8=6, 222=4 H GLU 66 - HG2 LYS 96 far 0 70 0 - 9.0-10.8 Violated in 10 structures by 0.03 A. Peak 6102 from cnoeabs.peaks (4.07, 1.44, 24.91 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.4-3.7 6075=98, 6076/1.8=63...(62) HA LYS 44 + HG3 LYS 44 OK 99 99 100 100 3.0-4.2 3905=82, 3904/1.8=71...(41) HA GLU 37 - HG3 LYS 44 far 0 98 0 - 6.1-8.3 HA GLU 91 - HG2 LYS 96 far 0 96 0 - 8.5-10.6 Violated in 2 structures by 0.00 A. Peak 6103 from cnoeabs.peaks (1.90, 1.44, 24.91 ppm; 3.00 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.3-2.6 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 98 98 100 100 2.2-2.9 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 91 91 100 100 2.2-2.9 2.9=100 HG LEU 45 - HG3 LYS 44 poor 15 61 25 - 4.0-6.3 HB2 LYS 43 - HG3 LYS 44 far 0 98 0 - 4.6-6.4 HB2 ARG 95 - HG2 LYS 96 far 0 99 0 - 5.3-7.3 HB3 LYS 43 - HG3 LYS 44 far 0 100 0 - 5.5-7.1 HB2 LEU 45 - HG3 LYS 44 far 0 99 0 - 5.9-7.5 HB2 LYS 49 - HG3 LYS 44 far 0 100 0 - 6.1-14.3 Violated in 0 structures by 0.00 A. Peak 6104 from cnoeabs.peaks (1.97, 1.44, 24.91 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 40 - HG3 LYS 44 poor 17 61 100 27 2.4-4.6 6114/1.8=6, ~7081=4...(12) HB3 ARG 95 - HG2 LYS 96 far 0 100 0 - 6.0-7.8 HB3 GLU 52 - HG3 LYS 44 far 0 61 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 44 + HG3 LYS 44 OK 86 86 100 100 1.8-1.8 1.8=100 HB3 LEU 70 - HG3 LYS 44 far 0 100 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 6107 from cnoeabs.peaks (1.68, 1.44, 24.91 ppm; 2.59 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 96 + HG2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=66, 6117/1.8=33...(90) HD3 LYS 96 + HG2 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=66, 6117/1.8=33...(82) HD2 LYS 40 - HG3 LYS 44 far 0 100 0 - 4.3-6.9 HG3 ARG 95 - HG2 LYS 96 far 0 99 0 - 4.6-8.9 HD3 LYS 40 - HG3 LYS 44 far 0 100 0 - 4.7-7.0 HG3 LYS 39 - HG3 LYS 44 far 0 65 0 - 5.9-11.5 HB ILE 54 - HG3 LYS 44 far 0 100 0 - 7.3-10.5 HD2 LYS 43 - HG3 LYS 44 far 0 100 0 - 7.6-9.2 HD3 LYS 43 - HG3 LYS 44 far 0 99 0 - 8.4-10.4 HG12 ILE 71 - HG3 LYS 44 far 0 83 0 - 8.6-14.7 HB ILE 56 - HG3 LYS 44 far 0 95 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 6108 from cnoeabs.peaks (1.68, 1.44, 24.91 ppm; 2.59 A): 3 out of 12 assignments used, quality = 1.00: * HD3 LYS 96 + HG2 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=66, 6117/1.8=33...(82) HD2 LYS 96 + HG2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=66, 6117/1.8=33...(90) HD2 LYS 44 + HG3 LYS 44 OK 64 65 100 98 2.3-3.0 2.9=68, 1.8/3955=21...(65) HD2 LYS 40 - HG3 LYS 44 far 0 100 0 - 4.3-6.9 HG3 ARG 95 - HG2 LYS 96 far 0 97 0 - 4.6-8.9 HD3 LYS 40 - HG3 LYS 44 far 0 100 0 - 4.7-7.0 HG3 LYS 39 - HG3 LYS 44 far 0 73 0 - 5.9-11.5 HB ILE 54 - HG3 LYS 44 far 0 100 0 - 7.3-10.5 HD2 LYS 43 - HG3 LYS 44 far 0 99 0 - 7.6-9.2 HD3 LYS 43 - HG3 LYS 44 far 0 100 0 - 8.4-10.4 HG12 ILE 71 - HG3 LYS 44 far 0 89 0 - 8.6-14.7 HB ILE 56 - HG3 LYS 44 far 0 98 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 6109 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 4 out of 8 assignments used, quality = 1.00: HE3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=79, 3.0/6125=35...(84) * HE2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=79, 3.0/6125=35...(84) HE3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=82, 3.0/3947=33...(56) HE2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.9 3.7=82, 3.0/3947=33...(56) HE3 LYS 65 - HG2 LYS 96 poor 13 81 65 24 2.5-9.2 6099/2.9=4, 6080/6075=2...(11) HE2 LYS 65 - HG2 LYS 96 poor 8 81 40 26 3.5-9.2 6100/2.9=3, ~6100=3...(8) HD3 ARG 30 - HG3 LYS 44 far 0 99 0 - 6.4-9.6 HE3 LYS 94 - HG2 LYS 96 far 0 84 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 6110 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=79, 3.0/6125=35...(84) HE2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=79, 3.0/6125=35...(84) HE3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=82, 3.0/3947=33...(56) HE2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.9 3.7=82, 3.0/3947=33...(56) HE3 LYS 65 - HG2 LYS 96 poor 13 81 65 24 2.5-9.2 6099/2.9=4, 6080/6075=2...(11) HE2 LYS 65 - HG2 LYS 96 poor 8 81 40 26 3.5-9.2 6100/2.9=3, ~6100=3...(8) HD3 ARG 30 - HG3 LYS 44 far 0 99 0 - 6.4-9.6 HE3 LYS 94 - HG2 LYS 96 far 0 84 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 6111 from cnoeabs.peaks (7.79, 1.57, 24.91 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.0-4.1 1640=92, 6091/2.9=77...(23) H LYS 40 - HG2 LYS 44 lone 8 68 70 17 4.6-6.6 6101/1.8=8, 4.0/7081=4...(4) H GLU 66 - HG3 LYS 96 far 0 70 0 - 9.6-11.9 Violated in 6 structures by 0.01 A. Peak 6112 from cnoeabs.peaks (4.07, 1.57, 24.91 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.1-3.6 6076=88, 6075/1.8=79...(62) HA LYS 44 + HG2 LYS 44 OK 71 71 100 100 2.1-3.7 3904=81, 3905/1.8=74...(38) HA GLU 37 - HG2 LYS 44 far 0 69 0 - 6.7-9.2 HA GLU 91 - HG3 LYS 96 far 0 96 0 - 6.9-10.2 HA GLU 69 - HG3 LYS 96 far 0 92 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 6113 from cnoeabs.peaks (1.90, 1.57, 24.91 ppm; 2.91 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.3-2.6 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 70 70 100 100 2.6-3.0 2.9=97, 3.0/3904=31...(54) HB2 LYS 44 + HG2 LYS 44 OK 62 62 100 100 2.6-3.0 2.9=97, 3.0/3904=31...(54) HB2 ARG 95 - HG3 LYS 96 poor 20 99 20 - 4.1-7.0 HB2 LEU 45 - HG2 LYS 44 poor 18 72 25 - 4.2-7.5 HB2 LYS 43 - HG2 LYS 44 poor 10 69 55 26 3.9-5.5 4.7/1286=18, 3903/3904=6, 6086=3 HG LEU 45 - HG2 LYS 44 poor 9 38 25 - 2.5-6.5 HB3 LYS 43 - HG2 LYS 44 far 0 73 0 - 4.8-6.1 HB2 LYS 49 - HG2 LYS 44 far 0 73 0 - 6.0-13.9 HB2 LEU 81 - HG2 LYS 115 far 0 50 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 6114 from cnoeabs.peaks (1.97, 1.57, 24.91 ppm; 3.19 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 40 - HG2 LYS 44 poor 7 38 75 26 2.8-5.1 6104/1.8=8, 1.8/7081=5...(10) HB3 ARG 95 - HG3 LYS 96 far 0 100 0 - 4.8-7.3 HB3 GLU 21 - HG2 LYS 115 far 0 86 0 - 7.2-10.3 HB3 GLU 52 - HG2 LYS 44 far 0 38 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 6115 from cnoeabs.peaks (1.44, 1.57, 24.91 ppm; 2.44 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 44 + HG2 LYS 44 OK 73 73 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HG2 LYS 44 far 0 44 0 - 6.0-10.6 HG3 LYS 49 - HG2 LYS 44 far 0 41 0 - 7.5-14.5 HG2 LYS 49 - HG2 LYS 44 far 0 41 0 - 7.9-15.4 HG LEU 4 - HG2 LYS 44 far 0 60 0 - 7.9-13.6 HG3 ARG 30 - HG2 LYS 44 far 0 57 0 - 8.1-11.6 HG12 ILE 56 - HG2 LYS 44 far 0 55 0 - 8.2-11.5 HB3 LYS 61 - HG3 LYS 96 far 0 96 0 - 8.3-11.5 HG3 LYS 17 - HG2 LYS 115 far 0 72 0 - 8.5-13.7 HG12 ILE 7 - HG2 LYS 115 far 0 47 0 - 9.1-11.6 HB2 LEU 4 - HG2 LYS 44 far 0 72 0 - 9.2-14.2 HB3 LEU 4 - HG2 LYS 44 far 0 72 0 - 9.2-13.3 HG LEU 80 - HG3 LYS 96 far 0 100 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * HD2 LYS 96 + HG3 LYS 96 OK 99 100 100 99 2.4-3.0 3.0=57, 1.8/6126=30...(71) HD3 LYS 96 + HG3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=57, 1.8/6126=30...(69) HG3 ARG 95 - HG3 LYS 96 far 10 99 10 - 3.1-8.5 HD2 LYS 40 - HG2 LYS 44 lone 1 73 30 4 3.5-7.1 3.6/7081=2, 3.6/6114=2 HD3 LYS 40 - HG2 LYS 44 far 0 73 0 - 4.0-7.3 HG3 LYS 39 - HG2 LYS 44 far 0 41 0 - 6.3-10.6 HD2 LYS 43 - HG2 LYS 44 far 0 73 0 - 6.9-8.0 HB ILE 54 - HG2 LYS 44 far 0 73 0 - 7.4-11.7 HD3 LYS 43 - HG2 LYS 44 far 0 72 0 - 7.5-8.9 HG12 ILE 71 - HG2 LYS 44 far 0 55 0 - 7.8-14.5 HD2 LYS 17 - HG2 LYS 115 far 0 87 0 - 8.1-12.5 Violated in 8 structures by 0.00 A. Peak 6118 from cnoeabs.peaks (1.68, 1.57, 24.91 ppm; 2.47 A): 3 out of 12 assignments used, quality = 1.00: HD2 LYS 96 + HG3 LYS 96 OK 99 100 100 99 2.4-3.0 3.0=57, 1.8/6126=30...(71) * HD3 LYS 96 + HG3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=57, 1.8/6126=30...(69) HD2 LYS 44 + HG2 LYS 44 OK 39 41 100 97 2.3-3.0 2.9=59, 1.8/3954=25...(63) HG3 ARG 95 - HG3 LYS 96 far 10 97 10 - 3.1-8.5 HD2 LYS 40 - HG2 LYS 44 lone 1 73 30 4 3.5-7.1 3.6/7081=2, 3.6/6114=2 HD3 LYS 40 - HG2 LYS 44 far 0 73 0 - 4.0-7.3 HG3 LYS 39 - HG2 LYS 44 far 0 46 0 - 6.3-10.6 HD2 LYS 43 - HG2 LYS 44 far 0 71 0 - 6.9-8.0 HB ILE 54 - HG2 LYS 44 far 0 73 0 - 7.4-11.7 HD3 LYS 43 - HG2 LYS 44 far 0 73 0 - 7.5-8.9 HG12 ILE 71 - HG2 LYS 44 far 0 60 0 - 7.8-14.5 HD2 LYS 17 - HG2 LYS 115 far 0 86 0 - 8.1-12.5 Violated in 0 structures by 0.00 A. Peak 6119 from cnoeabs.peaks (2.93, 1.57, 24.91 ppm; 3.44 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.1-4.1 3.8=75, 3.0/6117=35...(84) HE3 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.6 3.8=75, 3.0/6117=35...(84) HE3 LYS 44 + HG2 LYS 44 OK 73 73 100 100 2.2-4.2 3.7=78, 3.0/3954=29...(56) HE2 LYS 44 + HG2 LYS 44 OK 73 73 100 100 2.4-4.2 3.7=78, 3.0/3954=29...(56) HE2 LYS 65 - HG3 LYS 96 poor 16 81 20 - 4.7-9.9 HE3 LYS 65 - HG3 LYS 96 poor 5 81 25 25 3.6-10.2 6099/2.9=4, 6109/1.8=2...(10) HE3 LYS 94 - HG3 LYS 96 far 0 84 0 - 8.1-12.2 HD3 ARG 30 - HG2 LYS 44 far 0 72 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 6120 from cnoeabs.peaks (2.93, 1.57, 24.91 ppm; 3.44 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.1-4.1 3.8=75, 3.0/6117=35...(84) * HE3 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.6 3.8=75, 3.0/6117=35...(84) HE3 LYS 44 + HG2 LYS 44 OK 73 73 100 100 2.2-4.2 3.7=78, 3.0/3954=29...(56) HE2 LYS 44 + HG2 LYS 44 OK 73 73 100 100 2.4-4.2 3.7=78, 3.0/3954=29...(56) HE2 LYS 65 - HG3 LYS 96 poor 16 81 20 - 4.7-9.9 HE3 LYS 65 - HG3 LYS 96 poor 5 81 25 25 3.6-10.2 6099/2.9=4, 6109/1.8=2...(10) HE3 LYS 94 - HG3 LYS 96 far 0 84 0 - 8.1-12.2 HD3 ARG 30 - HG2 LYS 44 far 0 72 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 6121 from cnoeabs.peaks (7.79, 1.68, 28.89 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.2-3.6 6091/3.4=79, 1640/3.0=70...(34) H LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.2-3.9 6091/3.4=79, 1640/3.0=70...(34) H LYS 40 - HD2 LYS 43 far 0 91 0 - 6.8-7.8 H LYS 40 - HD3 LYS 43 far 0 90 0 - 7.1-8.2 H GLU 66 - HG12 ILE 71 far 0 28 0 - 7.8-9.0 H LYS 40 - HG12 ILE 71 far 0 45 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 6122 from cnoeabs.peaks (4.07, 1.68, 28.89 ppm; 3.38 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 96 + HD2 LYS 96 OK 100 100 100 100 1.8-3.1 6075/3.0=51, 6076/3.0=46...(86) HA LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.4-4.3 6075/3.0=51, 6076/3.0=46...(83) HA GLU 69 - HD3 LYS 73 far 13 84 15 - 3.8-8.7 HA GLU 69 - HG12 ILE 71 poor 6 41 55 26 4.5-7.0 2122/445=9, 3.6/5173=6...(6) HA GLU 69 - HD2 LYS 73 far 0 82 0 - 5.5-9.5 HA LYS 44 - HD2 LYS 43 far 0 94 0 - 6.0-6.8 HA LYS 44 - HD3 LYS 43 far 0 94 0 - 6.8-7.9 HA GLU 91 - HD2 LYS 96 far 0 96 0 - 7.4-9.6 HA GLU 91 - HD3 LYS 96 far 0 95 0 - 7.4-8.6 HA GLU 69 - HD2 LYS 43 far 0 85 0 - 9.8-14.2 HA GLU 69 - HD3 LYS 43 far 0 84 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 6123 from cnoeabs.peaks (1.90, 1.68, 28.89 ppm; 2.72 A): 16 out of 49 assignments used, quality = 1.00: * HB2 LYS 96 + HD2 LYS 96 OK 100 100 100 100 3.5-3.8 3.4=49, 1.8/6097=32...(80) HB2 LYS 96 + HD3 LYS 96 OK 100 100 100 100 3.5-4.1 3.4=49, 1.8/6097=32...(79) HB3 LYS 43 + HD2 LYS 43 OK 94 96 100 98 2.0-3.3 3.8=35, 3.0/3846=22...(72) HB3 LYS 43 + HD3 LYS 43 OK 93 95 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB2 LYS 43 + HD2 LYS 43 OK 91 92 100 98 3.1-3.8 3.8=35, 3.0/3846=22...(84) HB2 LYS 73 + HD3 LYS 73 OK 90 91 100 99 2.0-4.0 3.8=35, 2.9/5170=24...(85) HB2 LYS 73 + HD2 LYS 73 OK 89 90 100 99 2.1-3.6 3.8=35, 2.9/5170=24...(85) HB3 LYS 73 + HD3 LYS 73 OK 89 90 100 99 2.3-3.7 3.8=35, 2.9/5170=24...(83) HB3 LYS 73 + HD2 LYS 73 OK 87 88 100 99 2.1-4.2 3.8=35, 2.9/5170=24...(83) HB2 LYS 43 + HD3 LYS 43 OK 85 91 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB3 LYS 20 + HD3 LYS 20 OK 75 76 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 72 73 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 72 73 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(77) HB2 LYS 20 + HD3 LYS 20 OK 64 76 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB ILE 71 + HG12 ILE 71 OK 42 47 100 88 2.4-3.0 3.0=73, 1467/4.6=18...(7) HB2 ARG 95 + HD2 LYS 96 OK 40 99 70 58 2.8-6.0 6028=15, 1.8/6036=11...(14) HB2 ARG 95 - HD3 LYS 96 poor 14 99 25 55 2.5-6.0 6028/1.8=13, 6028=11...(14) HG LEU 45 - HG12 ILE 71 far 0 24 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 91 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 95 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 55 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 93 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 45 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 92 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 91 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 94 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 49 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 91 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 54 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 46 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 85 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 90 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 94 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 93 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 67 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 84 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 93 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 95 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 94 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 91 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 94 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 54 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 46 0 - 9.1-12.1 HG LEU 45 - HD2 LYS 73 far 0 53 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 94 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 47 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 93 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 90 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6124 from cnoeabs.peaks (1.97, 1.68, 28.89 ppm; 3.11 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.3-2.9 3.4=73, 6098/1.8=40...(119) HB3 LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.3-3.9 3.4=73, 6097/1.8=40...(115) HB3 ARG 95 + HD3 LYS 96 OK 20 100 30 67 3.1-6.9 6036/1.8=15, 7790/5.7=15...(24) HB3 ARG 95 - HD2 LYS 96 poor 16 100 25 65 3.5-5.7 6036=18, 1.8/6028=17...(9) HB3 GLU 21 - HD3 LYS 20 far 0 90 0 - 6.4-9.3 HB VAL 29 - HD2 LYS 20 far 0 51 0 - 6.4-12.2 HB VAL 29 - HD3 LYS 20 far 0 53 0 - 6.6-12.5 HB3 GLU 21 - HD2 LYS 20 far 0 87 0 - 6.6-8.7 HB VAL 22 - HD2 LYS 20 far 0 67 0 - 7.9-10.8 HB2 LYS 40 - HD2 LYS 43 far 0 55 0 - 8.1-8.5 HB VAL 22 - HD3 LYS 20 far 0 70 0 - 8.3-11.0 HB2 LYS 40 - HD3 LYS 43 far 0 54 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 6125 from cnoeabs.peaks (1.44, 1.68, 28.89 ppm; 2.55 A): 2 out of 20 assignments used, quality = 1.00: * HG2 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=64, 1.8/6117=32...(84) HG2 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=64, 1.8/6117=32...(82) HB2 LEU 4 - HG12 ILE 71 far 0 49 0 - 5.2-6.9 HG3 LYS 17 - HD2 LYS 20 far 0 73 0 - 5.5-8.4 HB3 LEU 6 - HG12 ILE 71 far 0 26 0 - 5.8-8.0 HG3 LYS 17 - HD3 LYS 20 far 0 76 0 - 5.9-7.7 HB3 LEU 4 - HG12 ILE 71 far 0 49 0 - 6.0-7.5 HG12 ILE 56 - HG12 ILE 71 far 0 36 0 - 6.1-8.2 HG2 LYS 39 - HD3 LYS 43 far 0 62 0 - 6.1-9.5 HG LEU 4 - HG12 ILE 71 far 0 39 0 - 6.5-8.9 HG2 LYS 39 - HD2 LYS 43 far 0 63 0 - 6.7-9.4 HB3 LYS 61 - HD3 LYS 96 far 0 95 0 - 7.1-11.6 HG3 LYS 44 - HD2 LYS 43 far 0 96 0 - 7.6-9.2 HG LEU 80 - HG12 ILE 71 far 0 50 0 - 8.1-11.7 HG3 LYS 44 - HD3 LYS 43 far 0 95 0 - 8.4-10.4 HG3 LYS 44 - HG12 ILE 71 far 0 49 0 - 8.6-14.7 HB3 LYS 61 - HD2 LYS 96 far 0 96 0 - 8.8-11.7 HB3 LEU 63 - HG12 ILE 71 far 0 34 0 - 9.5-10.5 HG LEU 80 - HD2 LYS 96 far 0 100 0 - 9.8-12.3 HG LEU 80 - HD3 LYS 96 far 0 100 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 6126 from cnoeabs.peaks (1.57, 1.68, 28.89 ppm; 2.43 A): 2 out of 17 assignments used, quality = 1.00: * HG3 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.4-3.0 3.0=55, 6117/1.8=29...(65) HG3 LYS 96 + HD3 LYS 96 OK 98 100 100 98 2.3-3.0 3.0=55, 6117/1.8=29...(63) HB3 LEU 70 - HG12 ILE 71 poor 7 50 45 31 3.7-5.4 437/4.6=12, 9778/2.1=7...(6) HB3 LEU 70 - HD3 LYS 43 far 5 95 5 - 3.9-7.9 HB VAL 78 - HG12 ILE 71 far 2 36 5 - 3.3-6.1 HG LEU 68 - HG12 ILE 71 far 0 26 0 - 4.4-6.3 HB3 LEU 70 - HD2 LYS 73 far 0 94 0 - 5.2-9.0 HB3 LEU 70 - HD2 LYS 43 far 0 96 0 - 5.4-9.1 HB3 LEU 70 - HD3 LYS 73 far 0 95 0 - 5.6-8.2 HG2 LYS 44 - HD2 LYS 43 far 0 80 0 - 6.9-8.0 HG2 LYS 44 - HD3 LYS 43 far 0 79 0 - 7.5-8.9 HG2 LYS 44 - HG12 ILE 71 far 0 38 0 - 7.8-14.5 HB VAL 78 - HD3 LYS 73 far 0 76 0 - 9.2-13.5 HG LEU 55 - HD3 LYS 20 far 0 88 0 - 9.3-14.4 HD2 LYS 106 - HD3 LYS 96 far 0 93 0 - 9.4-14.5 HD2 LYS 106 - HD2 LYS 96 far 0 94 0 - 9.6-15.9 HD3 LYS 106 - HD2 LYS 96 far 0 96 0 - 9.7-15.7 Violated in 8 structures by 0.02 A. Peak 6127 from cnoeabs.peaks (1.68, 1.68, 28.89 ppm; diagonal): 9 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): 9 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 16 assignments used, quality = 1.00: * HE2 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE2 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 96 + HD3 LYS 96 OK 98 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 65 - HD3 LYS 96 far 0 80 0 - 4.6-11.4 HE2 LYS 65 - HD2 LYS 96 far 0 81 0 - 5.2-12.1 HE3 LYS 65 - HD2 LYS 96 far 0 81 0 - 5.3-12.2 HE2 LYS 65 - HD3 LYS 96 far 0 80 0 - 5.5-11.2 HE3 LYS 94 - HD2 LYS 96 far 0 84 0 - 7.9-11.3 HE3 LYS 44 - HD2 LYS 43 far 0 96 0 - 8.2-11.3 HE2 LYS 44 - HD2 LYS 43 far 0 96 0 - 8.3-11.4 HE2 LYS 65 - HG12 ILE 71 far 0 34 0 - 8.4-12.6 HE3 LYS 94 - HD3 LYS 96 far 0 83 0 - 8.5-10.9 HE3 LYS 44 - HD3 LYS 43 far 0 95 0 - 9.1-12.3 HE2 LYS 44 - HD3 LYS 43 far 0 95 0 - 9.1-12.5 HE3 LYS 65 - HG12 ILE 71 far 0 34 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6130 from cnoeabs.peaks (2.93, 1.68, 28.89 ppm; 2.69 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) * HE3 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE2 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 96 + HD3 LYS 96 OK 98 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 65 - HD3 LYS 96 far 0 80 0 - 4.6-11.4 HE2 LYS 65 - HD2 LYS 96 far 0 81 0 - 5.2-12.1 HE3 LYS 65 - HD2 LYS 96 far 0 81 0 - 5.3-12.2 HE2 LYS 65 - HD3 LYS 96 far 0 80 0 - 5.5-11.2 HE3 LYS 94 - HD2 LYS 96 far 0 84 0 - 7.9-11.3 HE3 LYS 44 - HD2 LYS 43 far 0 96 0 - 8.2-11.3 HE2 LYS 44 - HD2 LYS 43 far 0 96 0 - 8.3-11.4 HE2 LYS 65 - HG12 ILE 71 far 0 34 0 - 8.4-12.6 HE3 LYS 94 - HD3 LYS 96 far 0 83 0 - 8.5-10.9 HE3 LYS 44 - HD3 LYS 43 far 0 95 0 - 9.1-12.3 HE2 LYS 44 - HD3 LYS 43 far 0 95 0 - 9.1-12.5 HE3 LYS 65 - HG12 ILE 71 far 0 34 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6131 from cnoeabs.peaks (7.79, 1.68, 28.89 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.2-3.9 6091/3.4=79, 1640/3.0=70...(34) H LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.2-3.6 6091/3.4=79, 1640/3.0=70...(34) H LYS 40 - HD2 LYS 43 far 0 88 0 - 6.8-7.8 H LYS 40 - HD3 LYS 43 far 0 91 0 - 7.1-8.2 H GLU 66 - HG12 ILE 71 far 0 33 0 - 7.8-9.0 H LYS 40 - HG12 ILE 71 far 0 53 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 6132 from cnoeabs.peaks (4.07, 1.68, 28.89 ppm; 3.38 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.4-4.3 6075/3.0=51, 6076/3.0=46...(83) HA LYS 96 + HD2 LYS 96 OK 100 100 100 100 1.8-3.1 6075/3.0=51, 6076/3.0=46...(86) HA GLU 69 - HD3 LYS 73 far 13 86 15 - 3.8-8.7 HA GLU 69 - HG12 ILE 71 poor 7 48 55 27 4.5-7.0 2122/445=10, 3.6/5173=6...(6) HA GLU 69 - HD2 LYS 73 far 0 85 0 - 5.5-9.5 HA LYS 44 - HD2 LYS 43 far 0 92 0 - 6.0-6.8 HA LYS 44 - HD3 LYS 43 far 0 95 0 - 6.8-7.9 HA GLU 91 - HD2 LYS 96 far 0 95 0 - 7.4-9.6 HA GLU 91 - HD3 LYS 96 far 0 96 0 - 7.4-8.6 HA GLU 69 - HD2 LYS 43 far 0 82 0 - 9.8-14.2 HA GLU 69 - HD3 LYS 43 far 0 86 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 6133 from cnoeabs.peaks (1.90, 1.68, 28.89 ppm; 2.72 A): 16 out of 49 assignments used, quality = 1.00: * HB2 LYS 96 + HD3 LYS 96 OK 100 100 100 100 3.5-4.1 3.4=49, 1.8/6098=32...(79) HB2 LYS 96 + HD2 LYS 96 OK 100 100 100 100 3.5-3.8 3.4=49, 1.8/6098=32...(80) HB3 LYS 43 + HD3 LYS 43 OK 94 97 100 98 2.7-3.7 3.8=35, 3.0/3847=22...(70) HB3 LYS 43 + HD2 LYS 43 OK 92 94 100 98 2.0-3.3 3.8=35, 3.0/3846=22...(72) HB2 LYS 73 + HD3 LYS 73 OK 92 93 100 99 2.0-4.0 3.8=35, 2.9/5170=24...(85) HB2 LYS 73 + HD2 LYS 73 OK 91 92 100 99 2.1-3.6 3.8=35, 2.9/5170=24...(85) HB3 LYS 73 + HD3 LYS 73 OK 90 91 100 99 2.3-3.7 3.8=35, 2.9/5170=24...(83) HB3 LYS 73 + HD2 LYS 73 OK 90 91 100 99 2.1-4.2 3.8=35, 2.9/5170=24...(83) HB2 LYS 43 + HD2 LYS 43 OK 88 90 100 98 3.1-3.8 3.8=35, 3.0/3846=22...(84) HB2 LYS 43 + HD3 LYS 43 OK 87 93 95 98 3.8-4.2 3.8=35, 3.0/3847=22...(80) HB3 LYS 20 + HD3 LYS 20 OK 79 80 100 99 2.3-3.8 3.4=49, 2.9/3079=23...(78) HB2 LYS 20 + HD2 LYS 20 OK 77 78 100 99 2.2-4.2 3.4=49, 2.9/3079=23...(78) HB3 LYS 20 + HD2 LYS 20 OK 77 78 100 99 2.2-4.0 3.4=49, 2.9/3079=23...(77) HB2 LYS 20 + HD3 LYS 20 OK 67 80 85 99 2.0-4.2 3.4=49, 2.9/3079=23...(78) HB ILE 71 + HG12 ILE 71 OK 49 56 100 88 2.4-3.0 3.0=73, 1467/4.6=18...(7) HB2 ARG 95 + HD2 LYS 96 OK 40 99 70 57 2.8-6.0 6028=14, 1.8/6036=11...(14) HB2 ARG 95 - HD3 LYS 96 poor 14 99 25 55 2.5-6.0 6028/1.8=13, 6028=10...(14) HG LEU 45 - HG12 ILE 71 far 0 29 0 - 5.9-10.2 HB2 LYS 73 - HD3 LYS 43 far 0 93 0 - 6.0-10.7 HB2 LEU 45 - HD2 LYS 43 far 0 93 0 - 6.3-8.7 HG LEU 45 - HD2 LYS 43 far 0 53 0 - 6.4-9.1 HB ILE 71 - HD3 LYS 73 far 0 94 0 - 6.4-9.6 HB3 LYS 73 - HG12 ILE 71 far 0 53 0 - 6.7-10.2 HB2 LYS 73 - HD2 LYS 43 far 0 90 0 - 6.7-12.2 HB ILE 71 - HD2 LYS 73 far 0 94 0 - 6.9-10.3 HB2 LEU 45 - HD3 LYS 43 far 0 96 0 - 6.9-9.3 HB2 LEU 45 - HG12 ILE 71 far 0 57 0 - 6.9-10.2 HB3 LYS 73 - HD2 LYS 43 far 0 88 0 - 7.0-12.3 HG LEU 45 - HD3 LYS 43 far 0 56 0 - 7.1-9.4 HB2 LYS 73 - HG12 ILE 71 far 0 54 0 - 7.1-9.0 HB2 LYS 44 - HD2 LYS 43 far 0 82 0 - 7.3-8.8 HB3 LYS 73 - HD3 LYS 43 far 0 91 0 - 7.3-10.7 HB3 LYS 44 - HD2 LYS 43 far 0 91 0 - 7.3-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 94 0 - 7.7-9.9 HB ILE 15 - HD3 LYS 20 far 0 71 0 - 7.8-11.7 HB2 LYS 44 - HD3 LYS 43 far 0 86 0 - 7.8-9.0 HB2 LEU 45 - HD2 LYS 73 far 0 95 0 - 8.0-12.5 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 8.3-12.6 HB2 LEU 45 - HD3 LYS 73 far 0 96 0 - 8.5-12.2 HB ILE 15 - HD2 LYS 20 far 0 69 0 - 8.6-12.9 HB2 LYS 43 - HD3 LYS 73 far 0 93 0 - 8.9-12.9 HB3 LYS 43 - HD2 LYS 73 far 0 96 0 - 8.9-12.9 HG LEU 45 - HD3 LYS 73 far 0 56 0 - 9.0-13.1 HB2 LYS 43 - HG12 ILE 71 far 0 54 0 - 9.1-12.1 HG LEU 45 - HD2 LYS 73 far 0 55 0 - 9.2-13.4 HB ILE 71 - HD2 LYS 43 far 0 91 0 - 9.4-14.0 HB3 LYS 44 - HG12 ILE 71 far 0 56 0 - 9.4-13.8 HB ILE 71 - HD3 LYS 43 far 0 94 0 - 9.9-12.4 HB2 LYS 43 - HD2 LYS 73 far 0 92 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6134 from cnoeabs.peaks (1.97, 1.68, 28.89 ppm; 3.11 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.3-3.9 3.4=73, 6097/1.8=40...(115) HB3 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.3-2.9 3.4=73, 6098/1.8=40...(119) HB3 ARG 95 + HD3 LYS 96 OK 20 100 30 67 3.1-6.9 6036/1.8=15, 7790/5.7=15...(24) HB3 ARG 95 - HD2 LYS 96 poor 16 100 25 64 3.5-5.7 6036=18, 1.8/6028=17...(9) HB3 GLU 21 - HD3 LYS 20 far 0 93 0 - 6.4-9.3 HB VAL 29 - HD2 LYS 20 far 0 55 0 - 6.4-12.2 HB VAL 29 - HD3 LYS 20 far 0 57 0 - 6.6-12.5 HB3 GLU 21 - HD2 LYS 20 far 0 92 0 - 6.6-8.7 HB VAL 22 - HD2 LYS 20 far 0 72 0 - 7.9-10.8 HB2 LYS 40 - HD2 LYS 43 far 0 53 0 - 8.1-8.5 HB VAL 22 - HD3 LYS 20 far 0 74 0 - 8.3-11.0 HB2 LYS 40 - HD3 LYS 43 far 0 56 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 6135 from cnoeabs.peaks (1.44, 1.68, 28.89 ppm; 2.55 A): 2 out of 20 assignments used, quality = 1.00: * HG2 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=64, 1.8/6117=32...(82) HG2 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=64, 1.8/6117=32...(83) HB2 LEU 4 - HG12 ILE 71 far 0 57 0 - 5.2-6.9 HG3 LYS 17 - HD2 LYS 20 far 0 78 0 - 5.5-8.4 HB3 LEU 6 - HG12 ILE 71 far 0 31 0 - 5.8-8.0 HG3 LYS 17 - HD3 LYS 20 far 0 80 0 - 5.9-7.7 HB3 LEU 4 - HG12 ILE 71 far 0 57 0 - 6.0-7.5 HG12 ILE 56 - HG12 ILE 71 far 0 42 0 - 6.1-8.2 HG2 LYS 39 - HD3 LYS 43 far 0 63 0 - 6.1-9.5 HG LEU 4 - HG12 ILE 71 far 0 46 0 - 6.5-8.9 HG2 LYS 39 - HD2 LYS 43 far 0 60 0 - 6.7-9.4 HB3 LYS 61 - HD3 LYS 96 far 0 96 0 - 7.1-11.6 HG3 LYS 44 - HD2 LYS 43 far 0 93 0 - 7.6-9.2 HG LEU 80 - HG12 ILE 71 far 0 58 0 - 8.1-11.7 HG3 LYS 44 - HD3 LYS 43 far 0 96 0 - 8.4-10.4 HG3 LYS 44 - HG12 ILE 71 far 0 58 0 - 8.6-14.7 HB3 LYS 61 - HD2 LYS 96 far 0 95 0 - 8.8-11.7 HB3 LEU 63 - HG12 ILE 71 far 0 40 0 - 9.5-10.5 HG LEU 80 - HD2 LYS 96 far 0 100 0 - 9.8-12.3 HG LEU 80 - HD3 LYS 96 far 0 100 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 6136 from cnoeabs.peaks (1.57, 1.68, 28.89 ppm; 2.43 A): 2 out of 17 assignments used, quality = 1.00: * HG3 LYS 96 + HD3 LYS 96 OK 98 100 100 98 2.3-3.0 3.0=55, 6117/1.8=29...(63) HG3 LYS 96 + HD2 LYS 96 OK 98 100 100 99 2.4-3.0 3.0=55, 6117/1.8=29...(65) HB3 LEU 70 - HG12 ILE 71 poor 8 58 45 31 3.7-5.4 437/4.6=12, 9778/2.1=7...(6) HB3 LEU 70 - HD3 LYS 43 far 5 97 5 - 3.9-7.9 HB VAL 78 - HG12 ILE 71 far 2 42 5 - 3.3-6.1 HG LEU 68 - HG12 ILE 71 far 0 31 0 - 4.4-6.3 HB3 LEU 70 - HD2 LYS 73 far 0 96 0 - 5.2-9.0 HB3 LEU 70 - HD2 LYS 43 far 0 94 0 - 5.4-9.1 HB3 LEU 70 - HD3 LYS 73 far 0 97 0 - 5.6-8.2 HG2 LYS 44 - HD2 LYS 43 far 0 77 0 - 6.9-8.0 HG2 LYS 44 - HD3 LYS 43 far 0 80 0 - 7.5-8.9 HG2 LYS 44 - HG12 ILE 71 far 0 44 0 - 7.8-14.5 HB VAL 78 - HD3 LYS 73 far 0 77 0 - 9.2-13.5 HG LEU 55 - HD3 LYS 20 far 0 92 0 - 9.3-14.4 HD2 LYS 106 - HD3 LYS 96 far 0 94 0 - 9.4-14.5 HD2 LYS 106 - HD2 LYS 96 far 0 93 0 - 9.6-15.9 HD3 LYS 106 - HD2 LYS 96 far 0 95 0 - 9.7-15.7 Violated in 8 structures by 0.02 A. Peak 6137 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 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 16 assignments used, quality = 1.00: * HE2 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE2 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 65 - HD3 LYS 96 far 0 81 0 - 4.6-11.4 HE2 LYS 65 - HD2 LYS 96 far 0 80 0 - 5.2-12.1 HE3 LYS 65 - HD2 LYS 96 far 0 80 0 - 5.3-12.2 HE2 LYS 65 - HD3 LYS 96 far 0 81 0 - 5.5-11.2 HE3 LYS 94 - HD2 LYS 96 far 0 83 0 - 7.9-11.3 HE3 LYS 44 - HD2 LYS 43 far 0 94 0 - 8.2-11.3 HE2 LYS 44 - HD2 LYS 43 far 0 94 0 - 8.3-11.4 HE2 LYS 65 - HG12 ILE 71 far 0 40 0 - 8.4-12.6 HE3 LYS 94 - HD3 LYS 96 far 0 84 0 - 8.5-10.9 HE3 LYS 44 - HD3 LYS 43 far 0 97 0 - 9.1-12.3 HE2 LYS 44 - HD3 LYS 43 far 0 97 0 - 9.1-12.5 HE3 LYS 65 - HG12 ILE 71 far 0 40 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6140 from cnoeabs.peaks (2.93, 1.68, 28.89 ppm; 2.69 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) * HE3 LYS 96 + HD3 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE2 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.5-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 96 + HD2 LYS 96 OK 99 100 100 99 2.3-3.0 3.0=73, 1.8/6147=17...(60) HE3 LYS 65 - HD3 LYS 96 far 0 81 0 - 4.6-11.4 HE2 LYS 65 - HD2 LYS 96 far 0 80 0 - 5.2-12.1 HE3 LYS 65 - HD2 LYS 96 far 0 80 0 - 5.3-12.2 HE2 LYS 65 - HD3 LYS 96 far 0 81 0 - 5.5-11.2 HE3 LYS 94 - HD2 LYS 96 far 0 83 0 - 7.9-11.3 HE3 LYS 44 - HD2 LYS 43 far 0 94 0 - 8.2-11.3 HE2 LYS 44 - HD2 LYS 43 far 0 94 0 - 8.3-11.4 HE2 LYS 65 - HG12 ILE 71 far 0 40 0 - 8.4-12.6 HE3 LYS 94 - HD3 LYS 96 far 0 84 0 - 8.5-10.9 HE3 LYS 44 - HD3 LYS 43 far 0 97 0 - 9.1-12.3 HE2 LYS 44 - HD3 LYS 43 far 0 97 0 - 9.1-12.5 HE3 LYS 65 - HG12 ILE 71 far 0 40 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6143 from cnoeabs.peaks (1.90, 2.93, 41.78 ppm; 3.41 A): 6 out of 27 assignments used, quality = 1.00: HB3 LYS 44 + HE3 LYS 44 OK 98 99 100 100 1.9-4.7 5.0=32, 3953/3.0=17...(65) HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.0-4.9 5.0=32, 3953/3.0=17...(65) HB2 LYS 44 + HE3 LYS 44 OK 87 92 95 100 2.4-5.3 5.0=32, 3953/3.0=18...(66) HB2 LYS 96 + HE3 LYS 96 OK 80 100 80 100 4.3-5.5 4.9=34, 1.8/6100=21...(61) HB2 LYS 44 + HE2 LYS 44 OK 73 92 80 100 2.0-5.4 5.0=32, 3953/3.0=18...(66) * HB2 LYS 96 + HE2 LYS 96 OK 60 100 60 100 4.5-5.5 4.9=34, 1.8/6100=21...(61) HB2 ARG 95 - HE3 LYS 96 poor 19 99 40 48 4.2-7.8 6028/3.0=15, 6028/3.0=11...(9) HB2 ARG 95 - HE2 LYS 96 poor 12 99 25 48 3.9-7.0 6028/3.0=15, 6028/3.0=11...(9) HB2 LYS 96 - HE3 LYS 65 poor 12 63 75 24 2.2-9.7 1.8/6099=5, 6090=3...(10) HB2 LYS 96 - HE2 LYS 65 poor 11 63 60 30 2.8-9.7 1.8/6099=3, ~6100=3...(11) HB2 LYS 49 - HE2 LYS 44 far 5 100 5 - 3.9-14.7 HG LEU 45 - HE2 LYS 44 far 0 61 0 - 5.2-9.1 HB2 ARG 95 - HE3 LYS 94 far 0 66 0 - 5.3-9.0 HB2 LYS 43 - HE3 LYS 44 far 0 98 0 - 5.3-8.5 HG LEU 45 - HE3 LYS 44 far 0 61 0 - 5.4-8.9 HB2 LYS 49 - HE3 LYS 44 far 0 100 0 - 5.5-15.4 HB2 LYS 43 - HE2 LYS 44 far 0 98 0 - 5.6-9.0 HB3 LYS 43 - HE3 LYS 44 far 0 100 0 - 6.3-9.3 HB3 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.3-9.4 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.1-10.1 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.2-10.2 HB2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.3-10.8 HB2 ARG 95 - HE2 LYS 65 far 0 61 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 61 0 - 7.8-15.4 HB ILE 71 - HE2 LYS 65 far 0 60 0 - 8.4-14.7 HB ILE 71 - HE3 LYS 65 far 0 60 0 - 8.9-14.5 HB2 LEU 81 - HE3 LYS 94 far 0 37 0 - 9.3-14.5 Violated in 6 structures by 0.01 A. Peak 6144 from cnoeabs.peaks (1.97, 2.93, 41.78 ppm; 4.18 A): 2 out of 13 assignments used, quality = 1.00: HB3 LYS 96 + HE3 LYS 96 OK 100 100 100 100 3.2-4.7 4.9=62, 6097/3.0=43...(97) * HB3 LYS 96 + HE2 LYS 96 OK 100 100 100 100 4.2-5.0 4.9=62, 6097/3.0=43...(97) HB3 LYS 96 - HE3 LYS 65 poor 18 63 70 41 2.8-10.9 6099=9, 6099/1.8=5...(20) HB2 LYS 40 - HE3 LYS 44 poor 17 61 80 35 2.4-6.2 6104/3.7=9, 6114/3.7=5...(16) HB2 LYS 40 - HE2 LYS 44 poor 15 61 70 35 2.9-6.9 6104/3.7=9, 6114/3.7=5...(16) HB3 ARG 95 - HE2 LYS 96 far 15 100 15 - 5.2-8.0 HB3 ARG 95 - HE3 LYS 96 far 15 100 15 - 5.5-7.5 HB3 LYS 96 - HE2 LYS 65 poor 13 63 45 45 2.5-11.0 6100/1.8=7, 6100=7...(24) HB3 ARG 95 - HE3 LYS 94 far 3 68 5 - 5.2-9.1 HB3 LYS 96 - HE3 LYS 94 far 0 68 0 - 6.7-10.8 HB3 GLU 103 - HE3 LYS 94 far 0 43 0 - 6.8-12.5 HB3 ARG 95 - HE2 LYS 65 far 0 63 0 - 8.4-16.4 HB3 ARG 95 - HE3 LYS 65 far 0 63 0 - 8.9-16.4 Violated in 1 structures by 0.00 A. Peak 6145 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 4 out of 31 assignments used, quality = 1.00: * HG2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=59, 6125/3.0=30...(72) HG2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=59, 6125/3.0=30...(72) HG3 LYS 44 + HE2 LYS 44 OK 99 100 100 100 2.3-3.9 3.7=61, 3947/3.0=28...(55) HG3 LYS 44 + HE3 LYS 44 OK 99 100 100 100 2.1-3.7 3.7=61, 3947/3.0=28...(55) HG2 LYS 96 - HE2 LYS 65 poor 19 63 30 - 3.5-9.2 HG2 LYS 96 - HE3 LYS 65 poor 7 63 50 21 2.5-9.2 2.9/6100=3, 6109=2...(9) HG3 LYS 49 - HE2 LYS 44 far 3 65 5 - 4.1-15.3 HB3 LYS 61 - HE3 LYS 65 far 3 56 5 - 4.0-9.4 HB3 LYS 61 - HE2 LYS 65 far 0 56 0 - 5.1-9.7 HG2 LYS 49 - HE2 LYS 44 far 0 65 0 - 5.2-16.2 HG LEU 80 - HE3 LYS 94 far 0 68 0 - 5.3-12.0 HG3 LYS 49 - HE3 LYS 44 far 0 65 0 - 5.8-16.4 HG LEU 80 - HE3 LYS 65 far 0 63 0 - 5.8-12.6 HG3 ARG 30 - HE3 LYS 44 far 0 87 0 - 6.3-11.7 HG3 ARG 30 - HE2 LYS 44 far 0 87 0 - 6.6-12.7 HG2 LYS 39 - HE2 LYS 44 far 0 70 0 - 6.8-13.9 HG2 LYS 49 - HE3 LYS 44 far 0 65 0 - 6.9-17.1 HG2 LYS 39 - HE3 LYS 44 far 0 70 0 - 7.3-12.8 HG LEU 80 - HE2 LYS 65 far 0 63 0 - 7.3-13.4 HB3 LYS 61 - HE2 LYS 96 far 0 96 0 - 7.4-12.1 HG LEU 4 - HE3 LYS 44 far 0 90 0 - 7.9-15.0 HB3 LEU 63 - HE3 LYS 65 far 0 44 0 - 8.2-11.4 HG12 ILE 56 - HE3 LYS 44 far 0 84 0 - 8.3-12.8 HB3 LEU 63 - HE2 LYS 65 far 0 44 0 - 8.6-11.3 HB3 LYS 61 - HE3 LYS 96 far 0 96 0 - 8.7-12.3 HG12 ILE 56 - HE2 LYS 44 far 0 84 0 - 8.8-13.7 HB3 LEU 6 - HE2 LYS 65 far 0 34 0 - 8.9-13.4 HB3 LEU 6 - HE3 LYS 65 far 0 34 0 - 9.0-13.4 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.1-12.2 HG LEU 4 - HE2 LYS 44 far 0 90 0 - 9.3-15.4 HB3 LEU 4 - HE3 LYS 44 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 6146 from cnoeabs.peaks (1.57, 2.93, 41.78 ppm; 2.98 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 96 + HE2 LYS 96 OK 99 100 100 99 2.1-4.1 3.8=49, 6117/3.0=27...(61) HG3 LYS 96 + HE3 LYS 96 OK 99 100 100 99 2.2-3.6 3.8=49, 6117/3.0=27...(61) HG2 LYS 44 + HE3 LYS 44 OK 86 87 100 99 2.2-4.2 3.7=50, 3954/3.0=21...(55) HG2 LYS 44 + HE2 LYS 44 OK 86 87 100 99 2.4-4.2 3.7=50, 3954/3.0=21...(55) HD2 LYS 106 - HE3 LYS 94 poor 18 59 30 - 2.5-6.5 HG3 LYS 96 - HE3 LYS 65 poor 13 63 20 - 3.6-10.2 HD3 LYS 106 - HE3 LYS 94 lone 3 61 35 14 2.2-6.6 10227/10234=11 HG3 LYS 96 - HE2 LYS 65 far 0 63 0 - 4.7-9.9 HG LEU 68 - HE2 LYS 65 far 0 34 0 - 5.3-10.3 HG LEU 68 - HE3 LYS 65 far 0 34 0 - 5.8-9.7 HG3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.1-12.2 HB3 LEU 70 - HE2 LYS 65 far 0 63 0 - 8.9-13.3 HB3 LEU 70 - HE3 LYS 65 far 0 63 0 - 9.3-14.5 HG12 ILE 116 - HE3 LYS 94 far 0 48 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 6147 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 4 out of 29 assignments used, quality = 1.00: * HD2 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.5-3.0 3.0=59, 6130/1.8=14...(56) HD3 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.3-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 96 + HE3 LYS 96 OK 97 100 100 97 2.3-3.0 3.0=59, 6130/1.8=14...(56) HD3 LYS 96 + HE3 LYS 96 OK 96 100 100 97 2.5-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 40 - HE2 LYS 44 far 10 100 10 - 3.9-9.0 HG3 ARG 95 - HE3 LYS 94 far 10 65 15 - 3.5-10.1 HD2 LYS 40 - HE3 LYS 44 far 5 100 5 - 3.9-8.2 HG3 ARG 95 - HE3 LYS 96 far 5 99 5 - 3.7-8.6 HG3 ARG 95 - HE2 LYS 96 far 5 99 5 - 3.8-8.9 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.1-9.3 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 4.4-9.1 HD3 LYS 96 - HE3 LYS 65 far 0 62 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 63 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.5-11.2 HG3 LYS 39 - HE3 LYS 44 far 0 65 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 65 0 - 6.6-13.5 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.7-13.2 HG3 ARG 95 - HE2 LYS 65 far 0 60 0 - 7.7-17.7 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.9-11.3 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 8.1-13.5 HD2 LYS 43 - HE3 LYS 44 far 0 100 0 - 8.2-11.3 HG3 ARG 95 - HE3 LYS 65 far 0 60 0 - 8.3-17.4 HD2 LYS 43 - HE2 LYS 44 far 0 100 0 - 8.3-11.4 HG12 ILE 71 - HE2 LYS 65 far 0 46 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.5-10.9 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 46 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6148 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 6 out of 31 assignments used, quality = 1.00: * HD3 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.3-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.5-3.0 3.0=59, 6130/1.8=14...(56) HD3 LYS 96 + HE3 LYS 96 OK 97 100 100 97 2.5-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 96 + HE3 LYS 96 OK 96 100 100 97 2.3-3.0 3.0=59, 6130/1.8=14...(56) HD2 LYS 44 + HE3 LYS 44 OK 60 65 100 92 2.3-3.0 3.0=60, 1.8/3958=14...(37) HD2 LYS 44 + HE2 LYS 44 OK 60 65 100 92 2.3-3.0 3.0=60, 1.8/3958=14...(37) HD2 LYS 40 - HE2 LYS 44 far 10 100 10 - 3.9-9.0 HG3 ARG 95 - HE3 LYS 94 far 9 63 15 - 3.5-10.1 HD2 LYS 40 - HE3 LYS 44 far 5 100 5 - 3.9-8.2 HG3 ARG 95 - HE3 LYS 96 far 5 97 5 - 3.7-8.6 HG3 ARG 95 - HE2 LYS 96 far 5 97 5 - 3.8-8.9 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.1-9.3 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 4.4-9.1 HD3 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 62 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.5-11.2 HG3 LYS 39 - HE3 LYS 44 far 0 73 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 73 0 - 6.6-13.5 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.7-13.2 HG3 ARG 95 - HE2 LYS 65 far 0 58 0 - 7.7-17.7 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.9-11.3 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 8.1-13.5 HD2 LYS 43 - HE3 LYS 44 far 0 99 0 - 8.2-11.3 HG3 ARG 95 - HE3 LYS 65 far 0 58 0 - 8.3-17.4 HD2 LYS 43 - HE2 LYS 44 far 0 99 0 - 8.3-11.4 HG12 ILE 71 - HE2 LYS 65 far 0 50 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.5-10.9 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 50 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6149 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 7 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): 7 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): 6 out of 27 assignments used, quality = 1.00: HB3 LYS 44 + HE3 LYS 44 OK 98 99 100 100 1.9-4.7 5.0=32, 3953/3.0=17...(65) HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.0-4.9 5.0=32, 3953/3.0=17...(65) HB2 LYS 44 + HE3 LYS 44 OK 87 92 95 100 2.4-5.3 5.0=32, 3953/3.0=18...(66) * HB2 LYS 96 + HE3 LYS 96 OK 80 100 80 100 4.3-5.5 4.9=34, 1.8/6100=21...(61) HB2 LYS 44 + HE2 LYS 44 OK 73 92 80 100 2.0-5.4 5.0=32, 3953/3.0=18...(66) HB2 LYS 96 + HE2 LYS 96 OK 60 100 60 100 4.5-5.5 4.9=34, 1.8/6100=21...(61) HB2 ARG 95 - HE3 LYS 96 poor 19 99 40 48 4.2-7.8 6028/3.0=15, 6028/3.0=11...(9) HB2 ARG 95 - HE2 LYS 96 poor 12 99 25 48 3.9-7.0 6028/3.0=15, 6028/3.0=11...(9) HB2 LYS 96 - HE3 LYS 65 poor 12 63 75 24 2.2-9.7 1.8/6099=5, 6090=3...(10) HB2 LYS 96 - HE2 LYS 65 poor 11 63 60 30 2.8-9.7 1.8/6099=3, ~6100=3...(11) HB2 LYS 49 - HE2 LYS 44 far 5 100 5 - 3.9-14.7 HG LEU 45 - HE2 LYS 44 far 0 61 0 - 5.2-9.1 HB2 ARG 95 - HE3 LYS 94 far 0 66 0 - 5.3-9.0 HB2 LYS 43 - HE3 LYS 44 far 0 98 0 - 5.3-8.5 HG LEU 45 - HE3 LYS 44 far 0 61 0 - 5.4-8.9 HB2 LYS 49 - HE3 LYS 44 far 0 100 0 - 5.5-15.4 HB2 LYS 43 - HE2 LYS 44 far 0 98 0 - 5.6-9.0 HB3 LYS 43 - HE3 LYS 44 far 0 100 0 - 6.3-9.3 HB3 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.3-9.4 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.1-10.1 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.2-10.2 HB2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.3-10.8 HB2 ARG 95 - HE2 LYS 65 far 0 61 0 - 7.8-15.4 HB2 ARG 95 - HE3 LYS 65 far 0 61 0 - 7.8-15.4 HB ILE 71 - HE2 LYS 65 far 0 60 0 - 8.4-14.7 HB ILE 71 - HE3 LYS 65 far 0 60 0 - 8.9-14.5 HB2 LEU 81 - HE3 LYS 94 far 0 37 0 - 9.3-14.5 Violated in 6 structures by 0.01 A. Peak 6154 from cnoeabs.peaks (1.97, 2.93, 41.78 ppm; 4.18 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LYS 96 + HE3 LYS 96 OK 100 100 100 100 3.2-4.7 4.9=62, 6097/3.0=43...(97) HB3 LYS 96 + HE2 LYS 96 OK 100 100 100 100 4.2-5.0 4.9=62, 6097/3.0=43...(97) HB3 LYS 96 - HE3 LYS 65 poor 18 63 70 41 2.8-10.9 6099=9, 6099/1.8=5...(20) HB2 LYS 40 - HE3 LYS 44 poor 17 61 80 35 2.4-6.2 6104/3.7=9, 6114/3.7=5...(16) HB2 LYS 40 - HE2 LYS 44 poor 15 61 70 35 2.9-6.9 6104/3.7=9, 6114/3.7=5...(16) HB3 ARG 95 - HE2 LYS 96 far 15 100 15 - 5.2-8.0 HB3 ARG 95 - HE3 LYS 96 far 15 100 15 - 5.5-7.5 HB3 LYS 96 - HE2 LYS 65 poor 13 63 45 45 2.5-11.0 6100/1.8=7, 6100=7...(24) HB3 ARG 95 - HE3 LYS 94 far 3 68 5 - 5.2-9.1 HB3 LYS 96 - HE3 LYS 94 far 0 68 0 - 6.7-10.8 HB3 GLU 103 - HE3 LYS 94 far 0 43 0 - 6.8-12.5 HB3 ARG 95 - HE2 LYS 65 far 0 63 0 - 8.4-16.4 HB3 ARG 95 - HE3 LYS 65 far 0 63 0 - 8.9-16.4 Violated in 1 structures by 0.00 A. Peak 6155 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 4 out of 31 assignments used, quality = 1.00: HG2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.5-3.9 3.8=59, 6125/3.0=30...(72) * HG2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.1-4.0 3.8=59, 6125/3.0=30...(72) HG3 LYS 44 + HE2 LYS 44 OK 99 100 100 100 2.3-3.9 3.7=61, 3947/3.0=28...(55) HG3 LYS 44 + HE3 LYS 44 OK 99 100 100 100 2.1-3.7 3.7=61, 3947/3.0=28...(55) HG2 LYS 96 - HE2 LYS 65 poor 19 63 30 - 3.5-9.2 HG2 LYS 96 - HE3 LYS 65 poor 7 63 50 21 2.5-9.2 2.9/6100=3, 6109=2...(9) HG3 LYS 49 - HE2 LYS 44 far 3 65 5 - 4.1-15.3 HB3 LYS 61 - HE3 LYS 65 far 3 56 5 - 4.0-9.4 HB3 LYS 61 - HE2 LYS 65 far 0 56 0 - 5.1-9.7 HG2 LYS 49 - HE2 LYS 44 far 0 65 0 - 5.2-16.2 HG LEU 80 - HE3 LYS 94 far 0 68 0 - 5.3-12.0 HG3 LYS 49 - HE3 LYS 44 far 0 65 0 - 5.8-16.4 HG LEU 80 - HE3 LYS 65 far 0 63 0 - 5.8-12.6 HG3 ARG 30 - HE3 LYS 44 far 0 87 0 - 6.3-11.7 HG3 ARG 30 - HE2 LYS 44 far 0 87 0 - 6.6-12.7 HG2 LYS 39 - HE2 LYS 44 far 0 70 0 - 6.8-13.9 HG2 LYS 49 - HE3 LYS 44 far 0 65 0 - 6.9-17.1 HG2 LYS 39 - HE3 LYS 44 far 0 70 0 - 7.3-12.8 HG LEU 80 - HE2 LYS 65 far 0 63 0 - 7.3-13.4 HB3 LYS 61 - HE2 LYS 96 far 0 96 0 - 7.4-12.1 HG LEU 4 - HE3 LYS 44 far 0 90 0 - 7.9-15.0 HB3 LEU 63 - HE3 LYS 65 far 0 44 0 - 8.2-11.4 HG12 ILE 56 - HE3 LYS 44 far 0 84 0 - 8.3-12.8 HB3 LEU 63 - HE2 LYS 65 far 0 44 0 - 8.6-11.3 HB3 LYS 61 - HE3 LYS 96 far 0 96 0 - 8.7-12.3 HG12 ILE 56 - HE2 LYS 44 far 0 84 0 - 8.8-13.7 HB3 LEU 6 - HE2 LYS 65 far 0 34 0 - 8.9-13.4 HB3 LEU 6 - HE3 LYS 65 far 0 34 0 - 9.0-13.4 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.1-12.2 HG LEU 4 - HE2 LYS 44 far 0 90 0 - 9.3-15.4 HB3 LEU 4 - HE3 LYS 44 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 6156 from cnoeabs.peaks (1.57, 2.93, 41.78 ppm; 2.98 A): 4 out of 14 assignments used, quality = 1.00: HG3 LYS 96 + HE2 LYS 96 OK 99 100 100 99 2.1-4.1 3.8=49, 6117/3.0=27...(61) * HG3 LYS 96 + HE3 LYS 96 OK 99 100 100 99 2.2-3.6 3.8=49, 6117/3.0=27...(61) HG2 LYS 44 + HE3 LYS 44 OK 86 87 100 99 2.2-4.2 3.7=50, 3954/3.0=21...(55) HG2 LYS 44 + HE2 LYS 44 OK 86 87 100 99 2.4-4.2 3.7=50, 3954/3.0=21...(55) HD2 LYS 106 - HE3 LYS 94 poor 18 59 30 - 2.5-6.5 HG3 LYS 96 - HE3 LYS 65 poor 13 63 20 - 3.6-10.2 HD3 LYS 106 - HE3 LYS 94 lone 3 61 35 14 2.2-6.6 10227/10234=11 HG3 LYS 96 - HE2 LYS 65 far 0 63 0 - 4.7-9.9 HG LEU 68 - HE2 LYS 65 far 0 34 0 - 5.3-10.3 HG LEU 68 - HE3 LYS 65 far 0 34 0 - 5.8-9.7 HG3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.1-12.2 HB3 LEU 70 - HE2 LYS 65 far 0 63 0 - 8.9-13.3 HB3 LEU 70 - HE3 LYS 65 far 0 63 0 - 9.3-14.5 HG12 ILE 116 - HE3 LYS 94 far 0 48 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 6157 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 4 out of 29 assignments used, quality = 1.00: HD2 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.5-3.0 3.0=59, 6130/1.8=14...(56) HD3 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.3-3.0 3.0=59, 6140/1.8=14...(56) * HD2 LYS 96 + HE3 LYS 96 OK 97 100 100 97 2.3-3.0 3.0=59, 6130/1.8=14...(56) HD3 LYS 96 + HE3 LYS 96 OK 96 100 100 97 2.5-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 40 - HE2 LYS 44 far 10 100 10 - 3.9-9.0 HG3 ARG 95 - HE3 LYS 94 far 10 65 15 - 3.5-10.1 HD2 LYS 40 - HE3 LYS 44 far 5 100 5 - 3.9-8.2 HG3 ARG 95 - HE3 LYS 96 far 5 99 5 - 3.7-8.6 HG3 ARG 95 - HE2 LYS 96 far 5 99 5 - 3.8-8.9 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.1-9.3 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 4.4-9.1 HD3 LYS 96 - HE3 LYS 65 far 0 62 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 63 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.5-11.2 HG3 LYS 39 - HE3 LYS 44 far 0 65 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 65 0 - 6.6-13.5 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.7-13.2 HG3 ARG 95 - HE2 LYS 65 far 0 60 0 - 7.7-17.7 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.9-11.3 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 8.1-13.5 HD2 LYS 43 - HE3 LYS 44 far 0 100 0 - 8.2-11.3 HG3 ARG 95 - HE3 LYS 65 far 0 60 0 - 8.3-17.4 HD2 LYS 43 - HE2 LYS 44 far 0 100 0 - 8.3-11.4 HG12 ILE 71 - HE2 LYS 65 far 0 46 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.5-10.9 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 46 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6158 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 6 out of 31 assignments used, quality = 1.00: HD3 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.3-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 96 + HE2 LYS 96 OK 97 100 100 97 2.5-3.0 3.0=59, 6130/1.8=14...(56) * HD3 LYS 96 + HE3 LYS 96 OK 97 100 100 97 2.5-3.0 3.0=59, 6140/1.8=14...(56) HD2 LYS 96 + HE3 LYS 96 OK 96 100 100 97 2.3-3.0 3.0=59, 6130/1.8=14...(56) HD2 LYS 44 + HE3 LYS 44 OK 60 65 100 92 2.3-3.0 3.0=60, 1.8/3958=14...(37) HD2 LYS 44 + HE2 LYS 44 OK 60 65 100 92 2.3-3.0 3.0=60, 1.8/3958=14...(37) HD2 LYS 40 - HE2 LYS 44 far 10 100 10 - 3.9-9.0 HG3 ARG 95 - HE3 LYS 94 far 9 63 15 - 3.5-10.1 HD2 LYS 40 - HE3 LYS 44 far 5 100 5 - 3.9-8.2 HG3 ARG 95 - HE3 LYS 96 far 5 97 5 - 3.7-8.6 HG3 ARG 95 - HE2 LYS 96 far 5 97 5 - 3.8-8.9 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.1-9.3 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 4.4-9.1 HD3 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.6-11.4 HD2 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.2-12.1 HD2 LYS 96 - HE3 LYS 65 far 0 62 0 - 5.3-12.2 HD3 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.5-11.2 HG3 LYS 39 - HE3 LYS 44 far 0 73 0 - 6.0-13.1 HG3 LYS 39 - HE2 LYS 44 far 0 73 0 - 6.6-13.5 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.7-13.2 HG3 ARG 95 - HE2 LYS 65 far 0 58 0 - 7.7-17.7 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.9-11.3 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 8.1-13.5 HD2 LYS 43 - HE3 LYS 44 far 0 99 0 - 8.2-11.3 HG3 ARG 95 - HE3 LYS 65 far 0 58 0 - 8.3-17.4 HD2 LYS 43 - HE2 LYS 44 far 0 99 0 - 8.3-11.4 HG12 ILE 71 - HE2 LYS 65 far 0 50 0 - 8.4-12.6 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.5-10.9 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 9.1-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 9.1-12.5 HG12 ILE 71 - HE3 LYS 65 far 0 50 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6159 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 7 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): 7 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): 2 out of 3 assignments used, quality = 1.00: * H ILE 97 + HA ILE 97 OK 100 100 100 100 2.7-2.9 3.0=100 H LYS 39 + HB3 SER 35 OK 28 58 65 75 4.3-5.8 8033/3.0=41, 212/1.8=27...(4) HE21 GLN 62 - HB3 SER 35 far 5 36 15 - 4.1-10.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB ILE 97 + HA ILE 97 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 64 - HA ILE 97 far 0 61 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 6164 from cnoeabs.peaks (0.68, 3.94, 62.57 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 97 + HA ILE 97 OK 100 100 100 100 2.2-2.6 3.2=100 QG2 ILE 56 - HB3 SER 35 far 0 45 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 6165 from cnoeabs.peaks (1.00, 3.94, 62.57 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 97 + HA ILE 97 OK 100 100 100 100 2.3-3.9 4.0=100 HG13 ILE 71 - HA ILE 97 far 0 61 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 6166 from cnoeabs.peaks (0.93, 3.94, 62.57 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 97 + HA ILE 97 OK 100 100 100 100 2.3-3.8 4.0=100 QG1 VAL 104 - HA ILE 97 far 15 99 15 - 4.6-6.7 QD1 LEU 70 - HB3 SER 35 far 0 29 0 - 5.8-8.5 Violated in 0 structures by 0.00 A. Peak 6167 from cnoeabs.peaks (0.36, 3.94, 62.57 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + HA ILE 97 OK 100 100 100 100 1.9-3.9 6197=100, 6196/3.0=53...(12) Violated in 6 structures by 0.01 A. Peak 6168 from cnoeabs.peaks (7.83, 1.81, 37.21 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + HB ILE 97 OK 100 100 100 100 2.4-2.8 1647=100, 1649/2.9=60...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6173 from cnoeabs.peaks (0.93, 1.81, 37.21 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 97 + HB ILE 97 OK 100 100 100 100 2.3-3.0 2.9=100 QG1 VAL 104 + HB ILE 97 OK 99 99 100 100 2.1-4.4 10230/2.1=70...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 6175 from cnoeabs.peaks (7.83, 0.68, 18.75 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + QG2 ILE 97 OK 100 100 100 100 3.7-3.8 4.0=100 H VAL 78 - QG2 ILE 97 far 0 100 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 6176 from cnoeabs.peaks (3.94, 0.68, 18.75 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.2-2.6 3.2=100 HA MET 67 - QG2 ILE 97 far 0 92 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 6177 from cnoeabs.peaks (1.81, 0.68, 18.75 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 ARG 105 - QG2 ILE 97 far 0 96 0 - 5.9-8.5 HB2 LEU 64 - QG2 ILE 97 far 0 61 0 - 6.3-7.9 HG2 ARG 105 - QG2 ILE 97 far 0 100 0 - 8.0-10.5 HG12 ILE 5 - QG2 ILE 97 far 0 100 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG12 ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.1-3.2 3.2=100 HG13 ILE 71 - QG2 ILE 97 far 0 61 0 - 6.6-9.9 QD1 LEU 127 - QG2 ILE 97 far 0 94 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 6180 from cnoeabs.peaks (0.93, 0.68, 18.75 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.2-3.2 3.2=100 QG1 VAL 104 + QG2 ILE 97 OK 78 99 80 97 2.7-5.0 10230=55, 2.1/10115=35...(19) QD1 LEU 70 - QG2 ILE 97 far 0 61 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-3.2 3.0=100 Violated in 4 structures by 0.02 A. Peak 6182 from cnoeabs.peaks (7.83, 1.00, 27.27 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.0-4.0 1649=100, 6189/1.8=82...(9) Violated in 0 structures by 0.00 A. Peak 6183 from cnoeabs.peaks (3.94, 1.00, 27.27 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.3-3.9 4.0=100 HA MET 67 - HG12 ILE 97 far 0 92 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 6184 from cnoeabs.peaks (1.81, 1.00, 27.27 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 64 - HG12 ILE 97 far 0 61 0 - 5.9-8.9 HB3 ARG 105 - HG12 ILE 97 far 0 96 0 - 7.7-12.0 HG2 ARG 105 - HG12 ILE 97 far 0 100 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 6185 from cnoeabs.peaks (0.68, 1.00, 27.27 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.1-3.2 3.2=100 QG2 ILE 56 - HG12 ILE 97 far 0 87 0 - 9.2-11.6 QD1 ILE 116 - HG12 ILE 97 far 0 100 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG13 ILE 97 + HG12 ILE 97 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 104 - HG12 ILE 97 far 10 99 10 - 3.8-6.7 QD1 LEU 70 - HG12 ILE 97 far 0 61 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 6189 from cnoeabs.peaks (7.83, 0.93, 27.27 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HG13 ILE 97 OK 100 100 100 100 1.9-3.7 1649/1.8=79, 1647/2.9=70...(9) H TYR 27 - HG13 ILE 54 far 0 35 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 6190 from cnoeabs.peaks (3.94, 0.93, 27.27 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 97 + HG13 ILE 97 OK 100 100 100 100 2.3-3.8 4.0=100 HA MET 67 - HG13 ILE 97 far 0 92 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 6191 from cnoeabs.peaks (1.81, 0.93, 27.27 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 97 + HG13 ILE 97 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 64 - HG13 ILE 97 far 0 61 0 - 5.7-8.7 HB ILE 3 - HG13 ILE 54 far 0 51 0 - 7.6-9.7 HG12 ILE 5 - HG13 ILE 54 far 0 52 0 - 7.7-11.5 HB3 ARG 105 - HG13 ILE 97 far 0 96 0 - 8.0-12.2 Violated in 0 structures by 0.00 A. Peak 6192 from cnoeabs.peaks (0.68, 0.93, 27.27 ppm; 3.51 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 97 + HG13 ILE 97 OK 100 100 100 100 2.2-3.2 3.2=100 QD2 LEU 4 + HG13 ILE 54 OK 33 50 75 88 3.6-5.7 10734/3.0=37, ~10735=24...(13) QG2 ILE 56 - HG13 ILE 54 far 0 39 0 - 7.1-8.9 QD1 LEU 55 - HG13 ILE 54 far 0 51 0 - 7.2-8.0 QG2 ILE 56 - HG13 ILE 97 far 0 87 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 6193 from cnoeabs.peaks (1.00, 0.93, 27.27 ppm; 3.01 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 97 + HG13 ILE 97 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 71 - HG13 ILE 97 far 0 61 0 - 8.5-13.2 HG13 ILE 71 - HG13 ILE 54 far 0 25 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 6194 from cnoeabs.peaks (0.93, 0.93, 27.27 ppm; diagonal): 2 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 6196 from cnoeabs.peaks (7.83, 0.36, 11.90 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 97 + QD1 ILE 97 OK 100 100 100 100 1.8-3.8 1651=88, 1649/2.1=77...(16) H VAL 78 - QD1 ILE 97 far 0 100 0 - 8.0-11.0 HE21 GLN 62 - QD1 ILE 97 far 0 73 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 6197 from cnoeabs.peaks (3.94, 0.36, 11.90 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 97 + QD1 ILE 97 OK 100 100 100 100 1.9-3.9 6167=94, 3.0/6196=51...(12) HA MET 67 - QD1 ILE 97 far 0 92 0 - 8.0-10.0 Violated in 8 structures by 0.04 A. Peak 6198 from cnoeabs.peaks (1.81, 0.36, 11.90 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 97 + QD1 ILE 97 OK 100 100 100 100 2.3-3.2 3.2=100 HB2 LEU 64 - QD1 ILE 97 poor 14 61 35 66 4.2-6.4 3.1/11270=26...(11) HB3 ARG 105 - QD1 ILE 97 far 0 96 0 - 7.3-10.5 HG2 ARG 105 - QD1 ILE 97 far 0 100 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 6199 from cnoeabs.peaks (0.68, 0.36, 11.90 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 97 + QD1 ILE 97 OK 100 100 100 100 1.8-3.2 3.0=100 QG2 ILE 56 - QD1 ILE 97 far 0 87 0 - 7.3-9.4 QD1 ILE 116 - QD1 ILE 97 far 0 100 0 - 8.4-12.5 QD1 LEU 55 - QD1 ILE 97 far 0 100 0 - 8.8-12.5 QD2 LEU 4 - QD1 ILE 97 far 0 99 0 - 9.4-12.3 Violated in 3 structures by 0.01 A. Peak 6200 from cnoeabs.peaks (1.00, 0.36, 11.90 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 97 + QD1 ILE 97 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 71 - QD1 ILE 97 far 0 61 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 6201 from cnoeabs.peaks (0.93, 0.36, 11.90 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 97 + QD1 ILE 97 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 104 + QD1 ILE 97 OK 28 99 30 95 3.2-5.9 10230/3.0=40, 10229=31...(20) QD1 LEU 70 - QD1 ILE 97 far 0 61 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HA GLU 98 OK 100 100 100 100 2.8-2.9 3.0=100 H VAL 104 + HA GLU 98 OK 44 61 100 72 3.3-4.3 3.9/10161=42...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6206 from cnoeabs.peaks (2.05, 4.34, 58.95 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 GLN 100 - HA GLU 98 poor 10 99 25 40 4.7-6.7 4.4/10159=18, 4.0/635=13...(5) HB2 LYS 94 - HA GLU 98 far 0 70 0 - 5.0-8.8 HB3 GLU 91 - HA GLU 98 far 0 73 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6207 from cnoeabs.peaks (2.38, 4.34, 58.95 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + HA GLU 98 OK 100 100 100 100 2.1-3.6 6222=97, 6223/2.9=66...(18) Violated in 1 structures by 0.00 A. Peak 6208 from cnoeabs.peaks (2.44, 4.34, 58.95 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.2-4.0 6228=95, 1.8/6207=86...(21) HG2 GLN 100 - HA GLU 98 far 15 99 15 - 5.0-7.6 Violated in 1 structures by 0.00 A. Peak 6209 from cnoeabs.peaks (8.67, 2.18, 29.43 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.9-3.5 1654=100, 6215/1.8=75...(12) H VAL 104 - HB2 GLU 98 poor 17 61 40 68 3.5-6.2 3.9/11404=31...(5) Violated in 0 structures by 0.00 A. Peak 6210 from cnoeabs.peaks (4.34, 2.18, 29.43 ppm; 3.09 A): 3 out of 4 assignments used, quality = 1.00: * HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.3-3.0 2.9=100 HA GLN 85 + HB2 GLN 85 OK 90 90 100 100 2.5-3.0 3.0=100 HA SER 99 + HB2 GLU 98 OK 55 97 80 71 3.8-5.6 2.9/630=35, ~7812=25...(7) HA PHE 93 - HB2 GLU 98 far 0 99 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * HB3 GLU 98 + HB2 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 85 + HB2 GLN 85 OK 71 71 100 100 1.8-1.8 1.8=100 HB2 LYS 94 - HB2 GLU 98 far 0 70 0 - 4.6-7.9 HB3 GLN 100 - HB2 GLU 98 far 0 99 0 - 6.2-8.6 HB2 GLU 89 - HB2 GLN 85 far 0 71 0 - 7.0-10.4 HB3 GLU 91 - HB2 GLU 98 far 0 73 0 - 7.7-10.3 HB3 GLU 87 - HB2 GLN 85 far 0 71 0 - 7.8-10.0 HB3 GLU 89 - HB2 GLN 85 far 0 71 0 - 8.2-10.3 HB3 MET 67 - HB3 GLU 37 far 0 56 0 - 9.1-10.7 HB2 GLU 66 - HB3 GLU 37 far 0 42 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 6213 from cnoeabs.peaks (2.38, 2.18, 29.43 ppm; 3.03 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 MET 67 - HB3 GLU 37 far 0 31 0 - 8.2-12.5 HG2 GLU 66 - HB3 GLU 37 far 0 40 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 6214 from cnoeabs.peaks (2.44, 2.18, 29.43 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 37 + HB3 GLU 37 OK 55 55 100 100 2.6-3.0 3.0=100 HG2 GLN 100 - HB2 GLU 98 far 0 99 0 - 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 6215 from cnoeabs.peaks (8.67, 2.05, 29.43 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.1-2.2 1655=79, 1654/1.8=74...(13) H VAL 104 - HB3 GLU 98 poor 18 61 30 - 3.4-6.6 H GLU 98 - HB3 GLN 100 poor 14 72 20 - 4.4-6.9 H VAL 104 - HB3 GLN 100 far 0 37 0 - 7.4-9.8 Violated in 0 structures by 0.00 A. Peak 6216 from cnoeabs.peaks (4.34, 2.05, 29.43 ppm; 2.98 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.7-3.0 2.9=100 HA GLN 85 + HB3 GLN 85 OK 63 63 100 100 2.3-3.0 3.0=98, 3.0/1563=33...(26) HA GLU 98 - HB3 GLN 100 far 0 72 0 - 4.7-6.7 HA SER 99 - HB3 GLU 98 far 0 97 0 - 4.7-5.5 HA SER 99 - HB3 GLN 100 far 0 67 0 - 5.4-6.6 HA GLN 85 - HB3 GLU 87 far 0 58 0 - 6.2-8.8 HA PHE 93 - HB3 GLU 89 far 0 49 0 - 6.5-9.9 HA GLN 85 - HB2 GLU 89 far 0 51 0 - 7.1-10.5 HA PHE 93 - HB3 GLU 98 far 0 99 0 - 7.1-8.1 HA PHE 93 - HB2 GLU 89 far 0 49 0 - 7.6-9.4 HA PHE 93 - HB3 GLN 100 far 0 70 0 - 8.3-11.3 HA GLN 85 - HB3 GLU 89 far 0 51 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 6217 from cnoeabs.peaks (2.18, 2.05, 29.43 ppm; 2.40 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLU 98 + HB3 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 85 + HB3 GLN 85 OK 59 59 100 100 1.8-1.8 1.8=100 HG3 GLU 66 + HB2 GLU 66 OK 46 48 100 97 2.4-3.0 4910/1.8=54, 3.0=52...(23) HB2 GLN 62 - HB2 GLU 66 far 0 41 0 - 4.7-7.0 HB3 GLN 62 - HB2 GLU 66 far 0 41 0 - 5.1-8.5 HB2 GLU 98 - HB3 GLN 100 far 0 72 0 - 6.2-8.6 HB2 MET 42 - HB2 GLU 66 far 0 41 0 - 6.8-9.3 HB2 GLN 85 - HB2 GLU 89 far 0 48 0 - 7.0-10.4 HB2 GLN 85 - HB3 GLU 87 far 0 55 0 - 7.8-10.0 HB2 GLN 85 - HB3 GLU 89 far 0 48 0 - 8.2-10.3 HB3 GLU 37 - HB2 GLU 66 far 0 52 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 6218 from cnoeabs.peaks (2.05, 2.05, 29.43 ppm; diagonal): 7 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): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 98 + HB3 GLU 98 OK 99 100 100 99 2.3-3.0 6224=74, 1.8/6230=60...(14) HG2 GLU 66 + HB2 GLU 66 OK 37 37 100 99 2.3-3.0 3.0=73, 1.8/4909=48...(26) HG3 MET 67 - HB2 GLU 66 far 1 29 5 - 4.1-7.8 HG2 GLU 98 - HB3 GLN 100 far 0 72 0 - 6.5-8.9 HG3 MET 67 - HB3 GLN 100 far 0 40 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 6220 from cnoeabs.peaks (2.44, 2.05, 29.43 ppm; 3.15 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 100 + HB3 GLN 100 OK 70 70 100 100 2.3-3.0 3.0=100 HG3 GLU 69 - HB3 GLN 100 far 7 72 10 - 4.2-10.0 HG3 GLU 69 - HB2 GLU 66 far 0 54 0 - 4.8-8.0 HG2 GLN 100 - HB3 GLU 98 far 0 99 0 - 6.0-9.1 HG3 GLU 98 - HB3 GLN 100 far 0 72 0 - 7.2-9.8 HG2 GLU 37 - HB2 GLU 66 far 0 51 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 6221 from cnoeabs.peaks (8.67, 2.38, 36.43 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.9-4.1 1656=100, 1654/6223=76...(10) H VAL 104 + HG2 GLU 98 OK 32 61 80 64 2.2-6.9 3.9/10232=34...(5) Violated in 0 structures by 0.00 A. Peak 6222 from cnoeabs.peaks (4.34, 2.38, 36.43 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.1-3.6 6207=100, 2.9/6223=68...(18) HA SER 99 - HG2 GLU 98 poor 19 97 20 - 3.0-6.7 HA PHE 93 - HG2 GLU 98 far 0 99 0 - 7.4-10.6 Violated in 1 structures by 0.00 A. Peak 6223 from cnoeabs.peaks (2.18, 2.38, 36.43 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.6-3.0 3.0=92, 1.8/6224=65...(14) Violated in 15 structures by 0.05 A. Peak 6224 from cnoeabs.peaks (2.05, 2.38, 36.43 ppm; 2.98 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=98, 6230/1.8=72...(14) HB2 LYS 94 - HG2 GLU 98 poor 14 70 20 - 2.5-8.9 HB3 GLN 100 - HG2 GLU 98 far 0 99 0 - 6.5-8.9 HB3 GLU 91 - HG2 GLU 98 far 0 73 0 - 7.6-12.1 HB2 GLU 92 - HG2 GLU 98 far 0 100 0 - 9.8-13.5 Violated in 1 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 GLU 98 + HG2 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 100 - HG2 GLU 98 far 0 99 0 - 6.8-10.6 Violated in 0 structures by 0.00 A. Peak 6227 from cnoeabs.peaks (8.67, 2.44, 36.43 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HG3 GLU 98 OK 100 100 100 100 3.0-4.5 1656/1.8=87, 1657=84...(13) H VAL 104 + HG3 GLU 98 OK 43 61 90 78 2.2-6.5 3.9/10233=50...(6) Violated in 0 structures by 0.00 A. Peak 6228 from cnoeabs.peaks (4.34, 2.44, 36.43 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.2-4.0 6208=100, 6207/1.8=88...(21) HA SER 99 - HG3 GLU 98 poor 19 97 20 - 4.7-6.7 HA PHE 93 - HG3 GLU 98 far 0 99 0 - 7.2-10.3 Violated in 0 structures by 0.00 A. Peak 6229 from cnoeabs.peaks (2.18, 2.44, 36.43 ppm; 2.86 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.4-3.0 3.0=87, 1.8/6230=67...(15) HB3 GLU 37 + HG2 GLU 37 OK 89 90 100 99 2.6-3.0 3.0=88, 1.8/3506=55...(12) HB2 MET 42 - HG2 GLU 37 far 0 75 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 6230 from cnoeabs.peaks (2.05, 2.44, 36.43 ppm; 2.83 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=84, 6224/1.8=62...(16) HB2 LYS 94 - HG3 GLU 98 poor 17 70 25 - 2.1-7.9 HB3 GLU 91 - HG3 GLU 98 far 0 73 0 - 6.6-10.7 HB3 GLN 100 - HG3 GLU 98 far 0 99 0 - 7.2-9.8 HB3 MET 67 - HG2 GLU 37 far 0 90 0 - 8.2-12.5 HB2 GLU 92 - HG3 GLU 98 far 0 100 0 - 9.3-12.8 HB2 GLU 66 - HG2 GLU 37 far 0 72 0 - 9.7-14.4 Violated in 1 structures by 0.01 A. Peak 6231 from cnoeabs.peaks (2.38, 2.44, 36.43 ppm; 2.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 67 - HG2 GLU 37 far 0 55 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 100 100 2.7-2.9 2.9=100 H PHE 93 + HA PHE 93 OK 98 98 100 100 2.8-2.8 3.0=100 H GLU 92 - HA PHE 93 far 0 87 0 - 5.5-5.6 H SER 99 - HA PHE 93 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 99 100 100 99 2.3-3.0 3.0=97, 1661/2.9=21...(7) HB3 SER 99 + HA SER 99 OK 99 100 100 99 2.4-3.0 3.0=97, 1661/2.9=21...(7) HA3 GLY 101 - HA SER 99 far 0 84 0 - 5.5-7.0 HB3 SER 99 - HA PHE 93 far 0 99 0 - 7.4-10.6 HB2 SER 99 - HA PHE 93 far 0 99 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 6236 from cnoeabs.peaks (4.00, 4.34, 60.41 ppm; 3.00 A): 2 out of 5 assignments used, quality = 1.00: HB2 SER 99 + HA SER 99 OK 99 100 100 99 2.3-3.0 3.0=97, 1661/2.9=21...(7) * HB3 SER 99 + HA SER 99 OK 99 100 100 99 2.4-3.0 3.0=97, 1661/2.9=21...(7) HA3 GLY 101 - HA SER 99 far 0 84 0 - 5.5-7.0 HB3 SER 99 - HA PHE 93 far 0 99 0 - 7.4-10.6 HB2 SER 99 - HA PHE 93 far 0 99 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 6237 from cnoeabs.peaks (8.10, 4.00, 62.68 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: H SER 99 + HB3 SER 99 OK 99 100 100 99 2.2-3.6 4.0=86, 1661/1.8=42...(8) * H SER 99 + HB2 SER 99 OK 99 100 100 99 2.2-3.0 4.0=86, 1661/1.8=42...(8) H PHE 93 - HB3 SER 99 far 0 99 0 - 9.5-12.5 H PHE 93 - HB2 SER 99 far 0 99 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6238 from cnoeabs.peaks (4.34, 4.00, 62.68 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 99 + HB2 SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 99 + HB3 SER 99 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 98 - HB3 SER 99 far 0 97 0 - 5.6-6.6 HA GLU 98 - HB2 SER 99 far 0 97 0 - 5.6-6.2 HA PHE 93 - HB3 SER 99 far 0 100 0 - 7.4-10.6 HA PHE 93 - HB2 SER 99 far 0 100 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 99 100 100 99 2.2-3.6 4.0=86, 1661/1.8=42...(8) H SER 99 + HB2 SER 99 OK 99 100 100 99 2.2-3.0 4.0=86, 1661/1.8=42...(8) H PHE 93 - HB3 SER 99 far 0 99 0 - 9.5-12.5 H PHE 93 - HB2 SER 99 far 0 99 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6242 from cnoeabs.peaks (4.34, 4.00, 62.68 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: HA SER 99 + HB2 SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 99 + HB3 SER 99 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 98 - HB3 SER 99 far 0 97 0 - 5.6-6.6 HA GLU 98 - HB2 SER 99 far 0 97 0 - 5.6-6.2 HA PHE 93 - HB3 SER 99 far 0 100 0 - 7.4-10.6 HA PHE 93 - HB2 SER 99 far 0 100 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 100 + HA GLN 100 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 69 - HA GLN 100 far 0 99 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 100 + HA GLN 100 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 69 - HA GLN 100 far 0 94 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 6248 from cnoeabs.peaks (2.05, 4.31, 55.93 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 100 + HA GLN 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 98 - HA GLN 100 far 0 99 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 6249 from cnoeabs.peaks (2.44, 4.31, 55.93 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 100 + HA GLN 100 OK 100 100 100 100 2.2-3.6 4.1=100 HG3 GLU 69 - HA GLN 100 far 5 99 5 - 5.9-10.9 HG3 GLU 98 - HA GLN 100 far 0 99 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 6250 from cnoeabs.peaks (2.35, 4.31, 55.93 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + HA GLN 100 OK 100 100 100 100 2.1-3.8 6278=100, 6266/3.0=82...(11) Violated in 0 structures by 0.00 A. Peak 6253 from cnoeabs.peaks (7.62, 2.21, 29.21 ppm; 3.62 A): 2 out of 7 assignments used, quality = 1.00: * H GLN 100 + HB2 GLN 100 OK 98 100 100 98 2.2-3.5 4.0=72, 6269/3.0=42...(9) H GLU 69 + HB2 GLU 69 OK 82 82 100 100 2.1-3.2 1454=91, 1455/1.8=81...(17) H GLU 69 - HB2 GLN 100 far 0 99 0 - 6.3-8.0 H LEU 74 - HB2 GLU 69 far 0 61 0 - 7.8-9.3 H LEU 64 - HB2 GLU 69 far 0 83 0 - 9.0-10.7 H GLN 100 - HB2 GLU 69 far 0 84 0 - 9.3-11.5 H LEU 74 - HB2 GLN 100 far 0 81 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 6254 from cnoeabs.peaks (4.31, 2.21, 29.21 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 100 + HB2 GLN 100 OK 100 100 100 100 2.6-3.0 3.0=100 HA LYS 73 - HB2 GLU 69 far 0 45 0 - 7.4-9.2 HA GLN 100 - HB2 GLU 69 far 0 84 0 - 8.0-10.1 HA LYS 73 - HB2 GLN 100 far 0 61 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 GLN 100 + HB2 GLN 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 66 - HB2 GLU 69 far 0 76 0 - 4.6-7.4 HB3 GLU 98 - HB2 GLN 100 far 0 99 0 - 6.1-8.0 HB3 MET 67 - HB2 GLU 69 far 0 84 0 - 6.7-8.4 HB3 GLN 100 - HB2 GLU 69 far 0 84 0 - 6.9-9.8 Violated in 0 structures by 0.00 A. Peak 6257 from cnoeabs.peaks (2.44, 2.21, 29.21 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 100 + HB2 GLN 100 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 69 + HB2 GLU 69 OK 82 82 100 100 2.2-3.0 3.0=100 HG2 GLN 100 - HB2 GLU 69 far 0 84 0 - 4.9-9.4 HG3 GLU 69 - HB2 GLN 100 far 0 99 0 - 5.3-9.9 HG3 GLU 98 - HB2 GLN 100 far 0 99 0 - 6.8-9.5 Violated in 0 structures by 0.00 A. Peak 6258 from cnoeabs.peaks (2.35, 2.21, 29.21 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 100 + HB2 GLN 100 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 100 - HB2 GLU 69 far 0 84 0 - 5.1-9.1 Violated in 0 structures by 0.00 A. Peak 6261 from cnoeabs.peaks (7.62, 2.05, 29.21 ppm; 3.86 A): 4 out of 13 assignments used, quality = 1.00: * H GLN 100 + HB3 GLN 100 OK 100 100 100 100 2.1-3.6 4.0=88, 6269/3.0=48...(12) HE21 GLN 85 + HB3 GLN 85 OK 80 82 100 97 2.2-4.5 4.4=67, 985/3.0=34...(17) H GLN 100 + HB3 GLU 98 OK 58 72 100 80 4.7-5.2 1665=42, 1942/4.3=38...(6) H LEU 64 + HB2 GLU 66 OK 48 88 70 77 4.9-7.7 2084/1434=40...(8) H GLU 69 - HB2 GLU 66 far 0 87 0 - 5.6-6.2 H GLU 69 - HB3 GLN 100 far 0 99 0 - 5.9-8.1 HD21 ASN 10 - HB3 GLU 89 far 0 53 0 - 6.8-14.0 HD21 ASN 10 - HB2 GLU 89 far 0 53 0 - 7.2-13.2 HE21 GLN 85 - HB2 GLU 89 far 0 90 0 - 7.9-13.9 HD21 ASN 10 - HB3 GLN 85 far 0 47 0 - 8.0-13.3 HE21 GLN 85 - HB3 GLU 89 far 0 90 0 - 8.8-13.7 H ASP 34 - HB2 GLU 66 far 0 83 0 - 9.0-12.2 H LEU 74 - HB3 GLN 100 far 0 81 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 6262 from cnoeabs.peaks (4.31, 2.05, 29.21 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 100 + HB3 GLN 100 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 100 - HB3 GLU 98 far 0 72 0 - 7.4-8.0 HA LYS 73 - HB3 GLN 100 far 0 61 0 - 8.2-12.9 Violated in 0 structures by 0.00 A. Peak 6263 from cnoeabs.peaks (2.21, 2.05, 29.21 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 100 + HB3 GLN 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 67 - HB2 GLU 66 far 0 83 0 - 4.4-6.5 HB2 GLU 69 - HB2 GLU 66 far 0 79 0 - 4.6-7.4 HB2 GLN 100 - HB3 GLU 98 far 0 72 0 - 6.1-8.0 HB2 MET 42 - HB2 GLU 66 far 0 49 0 - 6.8-9.3 HB2 GLU 69 - HB3 GLN 100 far 0 94 0 - 6.9-9.8 HB2 GLN 83 - HB3 GLN 85 far 0 82 0 - 7.2-10.1 HB2 GLN 83 - HB2 GLU 89 far 0 89 0 - 9.2-13.3 HB2 GLN 83 - HB3 GLU 89 far 0 89 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * HG2 GLN 100 + HB3 GLN 100 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 70 70 100 100 2.3-3.0 3.0=100 HG3 GLU 69 - HB3 GLN 100 far 10 99 10 - 4.2-10.0 HG3 GLU 69 - HB2 GLU 66 far 0 87 0 - 4.8-8.0 HG2 GLN 100 - HB3 GLU 98 far 0 72 0 - 6.0-9.1 HG3 GLU 98 - HB3 GLN 100 far 0 99 0 - 7.2-9.8 HG3 GLU 41 - HB2 GLU 66 far 0 52 0 - 7.8-11.9 HG3 GLU 98 - HB2 GLU 92 far 0 56 0 - 9.3-12.8 HG2 GLU 37 - HB2 GLU 66 far 0 89 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 6266 from cnoeabs.peaks (2.35, 2.05, 29.21 ppm; 2.70 A): 1 out of 6 assignments used, quality = 0.88: * HG3 GLN 100 + HB3 GLN 100 OK 88 100 100 88 2.3-2.7 3.0=73, 6278/3.0=29...(6) HG2 GLN 83 - HB3 GLN 85 far 0 57 0 - 5.3-7.9 HG3 GLN 100 - HB3 GLU 98 far 0 72 0 - 6.5-9.1 HG2 GLN 83 - HB2 GLU 89 far 0 63 0 - 8.9-13.1 HG2 GLN 83 - HB3 GLU 89 far 0 63 0 - 9.7-13.4 HG3 GLN 100 - HB2 GLU 66 far 0 89 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 6269 from cnoeabs.peaks (7.62, 2.44, 34.18 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 100 + HG2 GLN 100 OK 100 100 100 100 2.2-4.7 1666=87, 3.0/6270=75...(11) H GLU 69 - HG2 GLN 100 far 15 99 15 - 5.4-8.3 H LEU 74 - HG2 GLN 100 far 0 81 0 - 9.0-13.7 Violated in 4 structures by 0.02 A. Peak 6270 from cnoeabs.peaks (4.31, 2.44, 34.18 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 100 + HG2 GLN 100 OK 100 100 100 100 2.2-3.6 4.1=79, 6278/1.8=76...(11) HA LYS 73 - HG2 GLN 100 far 0 61 0 - 7.2-13.0 Violated in 0 structures by 0.00 A. Peak 6271 from cnoeabs.peaks (2.21, 2.44, 34.18 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 100 + HG2 GLN 100 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 69 - HG2 GLN 100 far 5 94 5 - 4.9-9.4 HB2 MET 67 - HG2 GLN 100 far 0 97 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 6272 from cnoeabs.peaks (2.05, 2.44, 34.18 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 100 + HG2 GLN 100 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 98 - HG2 GLN 100 far 0 99 0 - 6.0-9.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 6277 from cnoeabs.peaks (7.62, 2.35, 34.18 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 100 + HG3 GLN 100 OK 100 100 100 100 2.7-4.6 6269/1.8=82, 4.9=81...(9) H GLU 69 - HG3 GLN 100 lone 0 99 35 1 5.2-8.4 H LEU 74 - HG3 GLN 100 far 0 81 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 6278 from cnoeabs.peaks (4.31, 2.35, 34.18 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 100 + HG3 GLN 100 OK 100 100 100 100 2.1-3.8 6250=80, 3.0/6266=75...(11) HA LYS 73 - HG3 GLN 100 far 0 61 0 - 8.1-12.4 Violated in 2 structures by 0.00 A. Peak 6279 from cnoeabs.peaks (2.21, 2.35, 34.18 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 100 + HG3 GLN 100 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 69 - HG3 GLN 100 far 0 94 0 - 5.1-9.1 HB2 MET 67 - HG3 GLN 100 far 0 97 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 6280 from cnoeabs.peaks (2.05, 2.35, 34.18 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 100 + HG3 GLN 100 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 GLU 98 - HG3 GLN 100 far 0 99 0 - 6.5-9.1 HB3 MET 67 - HG3 GLN 100 far 0 100 0 - 9.9-13.4 HB2 GLU 66 - HG3 GLN 100 far 0 96 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 6281 from cnoeabs.peaks (2.44, 2.35, 34.18 ppm; 2.68 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 100 + HG3 GLN 100 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 69 - HG3 GLN 100 far 10 99 10 - 3.7-8.9 HG3 GLU 98 - HG3 GLN 100 far 0 99 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.8 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA3 GLY 101 + HA2 GLY 101 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 99 - HA2 GLY 101 far 0 84 0 - 6.9-8.3 HB2 SER 99 - HA2 GLY 101 far 0 84 0 - 7.2-8.8 HA3 GLY 75 - HA2 GLY 101 far 0 100 0 - 7.4-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6289 from cnoeabs.peaks (3.72, 4.01, 45.20 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 101 + HA3 GLY 101 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 71 - HA3 GLY 101 far 0 77 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6298 from cnoeabs.peaks (6.98, 4.67, 56.25 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 102 + HA TYR 102 OK 100 100 100 100 3.1-3.7 3.7=100 HZ PHE 79 - HA TYR 102 far 0 98 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 6306 from cnoeabs.peaks (6.98, 2.47, 39.05 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 102 + HB2 TYR 102 OK 100 100 100 100 2.3-2.7 2.5=100 HZ PHE 79 - HB2 TYR 102 far 0 98 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD TYR 102 + HB3 TYR 102 OK 100 100 100 100 2.3-2.7 2.5=100 HZ PHE 79 - HB3 TYR 102 far 0 98 0 - 7.6-10.3 Violated in 0 structures by 0.00 A. Peak 6325 from cnoeabs.peaks (2.47, 6.71, 118.26 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: * HB2 TYR 102 + QE TYR 102 OK 99 99 100 100 4.4-4.5 4.4=100 HG3 GLU 41 - QE TYR 76 far 0 65 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 6326 from cnoeabs.peaks (2.75, 6.71, 118.26 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 102 + QE TYR 102 OK 99 99 100 100 4.4-4.5 4.4=100 HE2 LYS 2 + QE TYR 76 OK 79 79 100 100 2.0-5.5 3.0/4628=98, 3.0/4626=97...(9) HG3 MET 42 - QE TYR 102 poor 6 90 25 27 7.3-10.7 3.3/9409=25 HG3 MET 42 - QE TYR 76 far 0 73 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.99: * QD TYR 102 + QE TYR 102 OK 99 99 100 100 2.2-2.2 2.2=100 QD TYR 102 - QE TYR 76 far 0 85 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 6334 from cnoeabs.peaks (2.75, 6.98, 132.43 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 102 + QD TYR 102 OK 100 100 100 100 2.3-2.7 2.5=100 HG3 MET 42 - QD TYR 102 far 0 92 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 6337 from cnoeabs.peaks (6.71, 6.98, 132.43 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 102 + QD TYR 102 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 79 - QD TYR 102 far 0 99 0 - 6.2-7.0 QE TYR 76 - QD TYR 102 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLU 103 + HA GLU 103 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 PHE 79 - HA GLU 103 far 0 87 0 - 6.3-8.2 HB2 LYS 94 - HA GLU 103 far 0 70 0 - 7.6-10.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.9 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 6345 from cnoeabs.peaks (8.32, 2.09, 30.37 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 103 + HB2 GLU 103 OK 100 100 100 100 2.1-2.5 4.0=100 H MET 121 - HB2 GLU 103 far 0 100 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6351 from cnoeabs.peaks (8.32, 1.99, 30.37 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 103 + HB3 GLU 103 OK 100 100 100 100 2.9-3.6 4.0=100 H MET 121 - HB3 GLU 103 far 0 100 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6353 from cnoeabs.peaks (2.09, 1.99, 30.37 ppm; 2.89 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 103 + HB3 GLU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 79 - HB3 GLU 103 far 13 87 15 - 4.3-7.1 HB2 LYS 94 - HB3 GLU 103 far 0 70 0 - 8.9-12.0 HG2 GLU 119 - HB3 GLU 103 far 0 90 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6357 from cnoeabs.peaks (8.32, 2.26, 36.25 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 103 + HG2 GLU 103 OK 100 100 100 100 2.2-4.6 4.8=100 H MET 121 - HG2 GLU 103 far 0 100 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 6358 from cnoeabs.peaks (4.51, 2.26, 36.25 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 103 + HG2 GLU 103 OK 100 100 100 100 2.3-3.9 4.0=100 HA ASP 84 - HG2 GLU 89 far 0 61 0 - 6.8-10.3 Violated in 0 structures by 0.00 A. Peak 6359 from cnoeabs.peaks (2.09, 2.26, 36.25 ppm; 2.86 A): 2 out of 14 assignments used, quality = 0.94: * HB2 GLU 103 + HG2 GLU 103 OK 92 100 100 92 2.4-3.0 3.0=87, 659/661=15...(4) HB2 GLU 111 + HG3 GLU 111 OK 30 32 100 92 2.4-3.0 3.0=86, 3.0/6596=15...(7) HB3 PHE 79 - HG2 GLU 103 far 13 87 15 - 3.1-8.0 HB2 GLU 112 - HG3 GLU 111 poor 8 42 20 - 3.3-7.5 HB3 GLU 112 - HG3 GLU 111 far 6 42 15 - 4.1-8.3 HB3 GLU 91 - HG3 GLU 92 far 5 31 15 - 4.0-6.8 HB2 LYS 94 - HG3 GLU 92 far 0 33 0 - 6.2-8.7 HG3 GLU 21 - HG3 GLU 111 far 0 24 0 - 6.5-10.4 HG2 GLU 21 - HG3 GLU 111 far 0 21 0 - 6.6-11.1 HB2 GLU 87 - HG2 GLU 89 far 0 58 0 - 6.9-9.1 HB2 GLU 87 - HG3 GLU 92 far 0 53 0 - 7.5-11.3 HB3 GLU 91 - HG2 GLU 89 far 0 34 0 - 8.0-10.2 HB2 LYS 94 - HG2 GLU 89 far 0 37 0 - 9.2-12.7 HG2 GLU 119 - HG2 GLU 103 far 0 90 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 6360 from cnoeabs.peaks (1.99, 2.26, 36.25 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 103 + HG2 GLU 103 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 96 - HG3 GLU 92 far 0 35 0 - 4.9-10.0 HB2 LYS 17 - HG3 GLU 111 far 0 40 0 - 5.4-10.1 HB3 ARG 95 - HG3 GLU 92 far 0 33 0 - 7.3-8.7 HB3 GLU 21 - HG3 GLU 111 far 0 29 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 6361 from cnoeabs.peaks (2.26, 2.26, 36.25 ppm; diagonal): 4 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 9 assignments used, quality = 1.00: * HG3 GLU 103 + HG2 GLU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 92 + HG3 GLU 92 OK 53 53 100 100 1.8-1.8 1.8=100 HG3 GLU 89 + HG2 GLU 89 OK 49 49 100 100 1.8-1.8 1.8=100 HG2 GLU 112 - HG3 GLU 111 far 1 29 5 - 3.1-9.5 HG2 GLU 92 - HG2 GLU 89 far 0 58 0 - 4.4-8.4 HG3 GLU 112 - HG3 GLU 111 far 0 27 0 - 4.8-8.9 HG3 GLU 89 - HG3 GLU 92 far 0 44 0 - 5.2-8.7 HG2 GLN 83 - HG3 GLU 111 far 0 31 0 - 7.9-12.3 HG3 GLU 13 - HG3 GLU 111 far 0 31 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. Peak 6364 from cnoeabs.peaks (4.51, 2.32, 36.25 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 103 + HG3 GLU 103 OK 100 100 100 100 2.2-3.8 4.0=100 HA ASP 84 - HG3 GLU 89 far 0 44 0 - 6.7-9.5 HA ASP 84 - HG2 GLU 112 far 0 37 0 - 9.7-13.3 HA ASP 84 - HG2 GLU 92 far 0 61 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 6365 from cnoeabs.peaks (2.09, 2.32, 36.25 ppm; 2.57 A): 3 out of 15 assignments used, quality = 0.87: * HB2 GLU 103 + HG3 GLU 103 OK 72 100 100 72 2.3-3.0 3.0=63, 659/662=13, 1683/4.8=11 HB2 GLU 112 + HG2 GLU 112 OK 31 38 100 81 2.4-3.0 3.0=65, 3.0/6625=10...(12) HB3 GLU 112 + HG2 GLU 112 OK 31 38 100 81 2.3-3.0 3.0=65, 3.0/6625=10...(12) HB3 PHE 79 - HG3 GLU 103 far 4 87 5 - 3.7-8.7 HB2 GLU 111 - HG2 GLU 112 far 1 29 5 - 3.7-8.4 HB3 GLU 91 - HG2 GLU 92 far 0 34 0 - 4.9-6.5 HB2 LYS 94 - HG2 GLU 92 far 0 37 0 - 6.1-9.4 HB2 GLU 87 - HG3 GLU 89 far 0 42 0 - 6.7-8.5 HG2 GLU 52 - HG3 GLU 48 far 0 52 0 - 7.5-14.5 HG2 GLU 119 - HG2 GLU 112 far 0 31 0 - 7.8-11.6 HB2 GLU 111 - HG3 GLU 13 far 0 32 0 - 7.9-12.7 HB3 GLU 91 - HG3 GLU 89 far 0 24 0 - 8.0-9.7 HB2 GLU 87 - HG2 GLU 92 far 0 58 0 - 8.3-10.8 HB2 LYS 94 - HG3 GLU 89 far 0 26 0 - 8.4-12.9 HB2 LYS 94 - HG3 GLU 103 far 0 70 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 6366 from cnoeabs.peaks (1.99, 2.32, 36.25 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 103 + HG3 GLU 103 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 96 - HG2 GLU 92 far 0 39 0 - 6.3-9.9 HB2 LYS 17 - HG3 GLU 13 far 0 40 0 - 6.8-8.4 HB3 ARG 95 - HG2 GLU 92 far 0 37 0 - 6.9-9.5 HB2 LYS 40 - HG3 GLU 48 far 0 69 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 6367 from cnoeabs.peaks (2.26, 2.32, 36.25 ppm; 2.40 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLU 103 + HG3 GLU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 92 + HG2 GLU 92 OK 55 55 100 100 1.8-1.8 1.8=100 HG2 GLU 89 + HG3 GLU 89 OK 42 42 100 100 1.8-1.8 1.8=100 HG3 GLU 111 - HG2 GLU 112 far 1 28 5 - 3.1-9.5 HG2 GLU 89 - HG2 GLU 92 far 0 58 0 - 4.4-8.4 HG3 GLU 92 - HG3 GLU 89 far 0 40 0 - 5.2-8.7 HG3 GLU 111 - HG3 GLU 13 far 0 31 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. Peak 6368 from cnoeabs.peaks (2.32, 2.32, 36.25 ppm; diagonal): 6 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 3 assignments used, quality = 1.00: * H VAL 104 + HA VAL 104 OK 100 100 100 100 2.9-2.9 3.0=100 H GLU 98 - HA VAL 104 far 6 61 10 - 4.8-6.8 H ASN 8 - HA VAL 104 far 0 70 0 - 7.2-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6372 from cnoeabs.peaks (0.93, 5.23, 59.28 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 104 + HA VAL 104 OK 100 100 100 100 2.7-3.2 3.2=100 HG13 ILE 97 - HA VAL 104 far 10 99 10 - 4.6-8.2 Violated in 0 structures by 0.00 A. Peak 6373 from cnoeabs.peaks (0.88, 5.23, 59.28 ppm; 3.66 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 104 + HA VAL 104 OK 100 100 100 100 1.9-2.4 3.2=100 QD1 LEU 90 - HA VAL 104 far 0 61 0 - 6.3-9.4 QD2 LEU 90 - HA VAL 104 far 0 100 0 - 7.0-8.6 QG2 VAL 117 - HA VAL 104 far 0 61 0 - 8.1-9.5 QG2 VAL 107 - HA VAL 104 far 0 73 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 6374 from cnoeabs.peaks (8.65, 1.95, 34.17 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 104 + HB VAL 104 OK 100 100 100 100 2.2-3.1 1689=100, 1690/2.1=85...(6) H GLU 98 + HB VAL 104 OK 54 61 100 88 2.4-4.6 4.1/10223=38, ~10161=33...(7) H ASN 8 - HB VAL 104 far 0 70 0 - 7.7-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QG1 VAL 104 + HB VAL 104 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 97 - HB VAL 104 far 15 99 15 - 3.4-7.3 Violated in 0 structures by 0.00 A. Peak 6378 from cnoeabs.peaks (0.88, 1.95, 34.17 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 104 + HB VAL 104 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 90 - HB VAL 104 far 0 61 0 - 5.7-9.7 QD2 LEU 90 - HB VAL 104 far 0 100 0 - 6.9-8.6 QG2 VAL 117 - HB VAL 104 far 0 61 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 6379 from cnoeabs.peaks (8.65, 0.93, 20.69 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 104 + QG1 VAL 104 OK 100 100 100 100 1.9-3.6 1690=100, 1691/2.1=68...(9) H GLU 98 + QG1 VAL 104 OK 59 61 100 96 2.4-4.7 4.1/10230=35...(15) H ASN 8 - QG1 VAL 104 far 0 70 0 - 7.2-9.5 H GLU 87 - QG1 VAL 104 far 0 94 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 6381 from cnoeabs.peaks (1.95, 0.93, 20.69 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 104 + QG1 VAL 104 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 65 - QG1 VAL 104 far 0 87 0 - 9.1-12.2 HB3 LYS 65 - QG1 VAL 104 far 0 84 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * QG2 VAL 104 + QG1 VAL 104 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 90 - QG1 VAL 104 poor 12 61 20 - 3.2-6.9 QD2 LEU 90 - QG1 VAL 104 far 0 100 0 - 4.1-6.6 QG2 VAL 107 - QG1 VAL 104 far 0 73 0 - 7.5-9.1 QG2 VAL 117 - QG1 VAL 104 far 0 61 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 6384 from cnoeabs.peaks (8.65, 0.88, 22.01 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 104 + QG2 VAL 104 OK 100 100 100 100 3.2-3.9 1691=100, 1690/2.1=80...(7) H GLU 98 + QG2 VAL 104 OK 58 61 100 95 2.4-4.7 3.0/10161=50...(10) H ASN 8 - QG2 VAL 104 far 0 70 0 - 5.6-8.7 Violated in 0 structures by 0.00 A. Peak 6385 from cnoeabs.peaks (5.23, 0.88, 22.01 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 104 + QG2 VAL 104 OK 100 100 100 100 1.9-2.4 3.2=100 HA ASP 31 - QG2 VAL 29 far 0 35 0 - 5.9-7.3 Violated in 0 structures by 0.00 A. Peak 6386 from cnoeabs.peaks (1.95, 0.88, 22.01 ppm; 2.81 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 104 + QG2 VAL 104 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 29 + QG2 VAL 29 OK 58 58 100 100 2.1-2.1 2.1=100 HB2 LYS 65 - QG2 VAL 104 far 0 87 0 - 7.3-10.2 HB3 LYS 65 - QG2 VAL 104 far 0 84 0 - 8.0-9.8 HB3 GLU 52 - QG2 VAL 29 far 0 60 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 6387 from cnoeabs.peaks (0.93, 0.88, 22.01 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 104 + QG2 VAL 104 OK 100 100 100 100 2.0-2.1 2.1=100 HG13 ILE 97 + QG2 VAL 104 OK 32 99 50 63 2.1-5.6 2.9/11508=20, ~10229=11...(12) HG3 LYS 53 - QG2 VAL 29 far 0 60 0 - 7.1-11.2 HG13 ILE 54 - QG2 VAL 29 far 0 35 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ARG 105 + HA ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 95 - HA ARG 105 far 0 61 0 - 9.1-12.7 HD2 LYS 123 - HA ARG 105 far 0 81 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 6392 from cnoeabs.peaks (1.82, 4.92, 52.47 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 105 + HA ARG 105 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 ARG 105 + HA ARG 105 OK 90 90 100 100 3.5-3.9 4.0=100 HB ILE 97 - HA ARG 105 far 0 96 0 - 7.1-9.1 Violated in 0 structures by 0.00 A. Peak 6393 from cnoeabs.peaks (1.80, 4.92, 52.47 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 105 + HA ARG 105 OK 100 100 100 100 3.5-3.9 4.0=100 HB3 ARG 105 + HA ARG 105 OK 90 90 100 100 2.6-3.0 3.0=100 HB ILE 97 - HA ARG 105 far 0 100 0 - 7.1-9.1 Violated in 0 structures by 0.00 A. Peak 6394 from cnoeabs.peaks (1.75, 4.92, 52.47 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 105 + HA ARG 105 OK 100 100 100 100 2.3-3.3 4.0=100 HB2 LEU 80 + HA ARG 105 OK 37 100 45 82 5.9-7.2 ~10269=53, 1697/3.0=44...(6) HB3 LYS 94 - HA ARG 105 poor 7 70 45 24 4.4-8.2 10980/5587=12...(3) HB3 LEU 82 - HA ARG 105 far 7 73 10 - 6.5-9.0 HD3 LYS 123 - HA ARG 105 far 0 99 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6396 from cnoeabs.peaks (3.34, 4.92, 52.47 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + HA ARG 105 OK 100 100 100 100 1.9-3.9 6438=100, 1.8/6430=77...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.5 4.1=100 Violated in 0 structures by 0.00 A. Peak 6398 from cnoeabs.peaks (4.92, 1.86, 32.95 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 105 + HB2 ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 82 + HB2 ARG 105 OK 41 99 60 69 6.2-8.5 ~1542=21, 1693/1694=20...(7) Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 ARG 105 + HB2 ARG 105 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 105 + HB2 ARG 105 OK 90 90 100 100 2.3-2.7 3.0=100 HB ILE 97 - HB2 ARG 105 far 0 96 0 - 8.2-10.0 QE MET 121 - HB2 ARG 105 far 0 81 0 - 8.8-13.5 HG12 ILE 5 - HB2 ARG 105 far 0 94 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 6401 from cnoeabs.peaks (1.80, 1.86, 32.95 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 105 + HB2 ARG 105 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 ARG 105 + HB2 ARG 105 OK 90 90 100 100 1.8-1.8 1.8=100 HB ILE 97 - HB2 ARG 105 far 0 100 0 - 8.2-10.0 HG12 ILE 5 - HB2 ARG 105 far 0 100 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 6402 from cnoeabs.peaks (1.75, 1.86, 32.95 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 105 + HB2 ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 80 - HB2 ARG 105 far 0 100 0 - 5.3-7.7 HB3 LEU 82 - HB2 ARG 105 far 0 73 0 - 6.2-9.0 HB3 LYS 94 - HB2 ARG 105 far 0 70 0 - 6.8-10.5 HD3 LYS 123 - HB2 ARG 105 far 0 99 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.1 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 6406 from cnoeabs.peaks (4.92, 1.82, 32.95 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 105 + HB3 ARG 105 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 82 - HB3 ARG 105 poor 18 99 25 73 6.2-8.9 6398/1.8=25...(6) Violated in 0 structures by 0.00 A. Peak 6407 from cnoeabs.peaks (1.86, 1.82, 32.95 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 105 + HB3 ARG 105 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 123 - HB3 ARG 105 far 0 81 0 - 7.2-10.2 HB3 ARG 118 - HB3 ARG 105 far 0 81 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG3 ARG 105 + HB3 ARG 105 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 80 - HB3 ARG 105 far 0 100 0 - 4.9-6.4 HB3 LEU 82 - HB3 ARG 105 far 0 73 0 - 6.3-8.9 HB3 LYS 94 - HB3 ARG 105 far 0 70 0 - 6.9-10.2 HD3 LYS 123 - HB3 ARG 105 far 0 99 0 - 8.0-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.9 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-5.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 6414 from cnoeabs.peaks (4.92, 1.80, 26.58 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 105 + HG2 ARG 105 OK 100 100 100 100 3.5-3.9 4.0=100 HA LEU 82 - HG2 ARG 105 far 5 99 5 - 6.9-10.1 Violated in 0 structures by 0.00 A. Peak 6415 from cnoeabs.peaks (1.86, 1.80, 26.58 ppm; 2.90 A): 1 out of 3 assignments used, quality = 0.98: * HB2 ARG 105 + HG2 ARG 105 OK 98 100 100 98 2.3-2.7 3.0=93, 1694/4.9=17...(10) HD2 LYS 123 - HG2 ARG 105 far 0 81 0 - 7.4-10.0 HB3 ARG 118 - HG2 ARG 105 far 0 81 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG3 ARG 105 + HG2 ARG 105 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 80 - HG2 ARG 105 far 0 100 0 - 6.4-8.9 HB3 LEU 82 - HG2 ARG 105 far 0 73 0 - 7.4-11.0 HD3 LYS 123 - HG2 ARG 105 far 0 99 0 - 7.5-10.8 HB3 LYS 94 - HG2 ARG 105 far 0 70 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 6422 from cnoeabs.peaks (4.92, 1.75, 26.58 ppm; 5.48 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 105 + HG3 ARG 105 OK 100 100 100 100 2.3-3.3 4.0=100 HA LEU 82 - HG3 ARG 105 far 10 99 10 - 6.3-10.4 Violated in 0 structures by 0.00 A. Peak 6423 from cnoeabs.peaks (1.86, 1.75, 26.58 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 105 + HG3 ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 123 - HG3 ARG 105 far 0 81 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 6424 from cnoeabs.peaks (1.82, 1.75, 26.58 ppm; 3.30 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 105 + HG3 ARG 105 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 105 + HG3 ARG 105 OK 90 90 100 100 1.8-1.8 1.8=100 HB ILE 97 - HG3 ARG 105 far 0 96 0 - 9.1-11.2 QE MET 121 - HG3 ARG 105 far 0 81 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 6425 from cnoeabs.peaks (1.80, 1.75, 26.58 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 105 + HG3 ARG 105 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 105 + HG3 ARG 105 OK 90 90 100 100 2.4-3.0 3.0=100 HB ILE 97 - HG3 ARG 105 far 0 100 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6430 from cnoeabs.peaks (4.92, 3.52, 41.44 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.98: * HA ARG 105 + HD2 ARG 105 OK 98 100 100 98 2.0-4.0 6438/1.8=78, 669/7845=43...(8) HA LEU 82 - HD2 ARG 105 far 0 99 0 - 8.5-11.2 Violated in 5 structures by 0.00 A. Peak 6431 from cnoeabs.peaks (1.86, 3.52, 41.44 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 105 + HD2 ARG 105 OK 100 100 100 100 2.3-4.1 3.8=100 HD2 LYS 123 - HD2 ARG 105 far 0 81 0 - 6.5-10.6 HB3 ARG 118 - HD2 ARG 105 far 0 81 0 - 9.8-13.3 Violated in 4 structures by 0.03 A. Peak 6432 from cnoeabs.peaks (1.82, 3.52, 41.44 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 105 + HD2 ARG 105 OK 100 100 100 100 2.2-3.9 3.8=100 HG2 ARG 105 + HD2 ARG 105 OK 90 90 100 100 2.3-3.0 3.0=100 HB ILE 97 - HD2 ARG 105 far 0 96 0 - 8.0-12.2 QE MET 121 - HD2 ARG 105 far 0 81 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 6433 from cnoeabs.peaks (1.80, 3.52, 41.44 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 105 + HD2 ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 105 + HD2 ARG 105 OK 90 90 100 100 2.2-3.9 3.8=100 HB ILE 97 - HD2 ARG 105 far 0 100 0 - 8.0-12.2 Violated in 0 structures by 0.00 A. Peak 6434 from cnoeabs.peaks (1.75, 3.52, 41.44 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 105 + HD2 ARG 105 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LEU 80 - HD2 ARG 105 far 0 100 0 - 5.9-9.3 HB3 LYS 94 - HD2 ARG 105 far 0 70 0 - 6.5-11.8 HD3 LYS 123 - HD2 ARG 105 far 0 99 0 - 6.9-11.1 HB3 LEU 82 - HD2 ARG 105 far 0 73 0 - 8.2-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-6.2 6.0=100 Violated in 0 structures by 0.00 A. Peak 6438 from cnoeabs.peaks (4.92, 3.34, 41.44 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.99: * HA ARG 105 + HD3 ARG 105 OK 99 100 100 99 1.9-3.9 6396=87, 6430/1.8=72...(8) HA LEU 82 - HD3 ARG 105 far 0 99 0 - 7.7-10.8 Violated in 2 structures by 0.01 A. Peak 6439 from cnoeabs.peaks (1.86, 3.34, 41.44 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 105 + HD3 ARG 105 OK 100 100 100 100 2.5-4.1 3.8=100 HD2 LYS 123 - HD3 ARG 105 far 0 81 0 - 7.4-11.3 Violated in 1 structures by 0.01 A. Peak 6440 from cnoeabs.peaks (1.82, 3.34, 41.44 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 105 + HD3 ARG 105 OK 100 100 100 100 2.1-4.2 3.8=100 HG2 ARG 105 + HD3 ARG 105 OK 90 90 100 100 2.3-3.0 3.0=100 HB ILE 97 - HD3 ARG 105 far 0 96 0 - 8.4-12.5 QE MET 121 - HD3 ARG 105 far 0 81 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 6441 from cnoeabs.peaks (1.80, 3.34, 41.44 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 105 + HD3 ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 105 + HD3 ARG 105 OK 90 90 100 100 2.1-4.2 3.8=100 HB ILE 97 - HD3 ARG 105 far 0 100 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 6442 from cnoeabs.peaks (1.75, 3.34, 41.44 ppm; 3.84 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 105 + HD3 ARG 105 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 94 - HD3 ARG 105 far 0 70 0 - 5.8-11.1 HB2 LEU 80 - HD3 ARG 105 far 0 100 0 - 6.7-10.1 HB3 LEU 82 - HD3 ARG 105 far 0 73 0 - 7.0-10.8 HD3 LYS 123 - HD3 ARG 105 far 0 99 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + HA LYS 106 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 106 + HA LYS 106 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LEU 90 + HA LYS 106 OK 22 98 30 74 3.9-7.2 3.1/11574=31...(14) HB3 LYS 94 - HA LYS 106 far 3 61 5 - 4.8-8.7 Violated in 0 structures by 0.00 A. Peak 6448 from cnoeabs.peaks (1.71, 5.58, 53.87 ppm; 3.50 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + HA LYS 106 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LYS 106 + HA LYS 106 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 90 + HA LYS 106 OK 21 96 30 74 3.9-7.2 3.1/11574=31...(14) Violated in 0 structures by 0.00 A. Peak 6449 from cnoeabs.peaks (1.46, 5.58, 53.87 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 106 + HA LYS 106 OK 100 100 100 100 2.2-3.9 3.9=100 HG LEU 80 - HA LYS 106 far 0 61 0 - 5.9-9.6 HG12 ILE 7 - HA LYS 106 far 0 100 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 6450 from cnoeabs.peaks (1.40, 5.58, 53.87 ppm; 4.61 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 106 + HA LYS 106 OK 100 100 100 100 2.5-4.2 3.9=100 HB3 GLN 83 + HA LYS 106 OK 32 65 80 62 5.2-6.3 3.0/9928=39...(4) QB ALA 113 + HA LYS 106 OK 31 96 45 71 5.4-6.6 10898/10306=40...(6) Violated in 0 structures by 0.00 A. Peak 6451 from cnoeabs.peaks (1.56, 5.58, 53.87 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 106 + HA LYS 106 OK 100 100 100 100 3.5-5.5 5.3=70, ~1705=40...(22) HD3 LYS 106 + HA LYS 106 OK 100 100 100 100 3.6-5.5 5.3=70, ~1705=40...(22) HG2 LYS 115 - HA LYS 106 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.7 4.0=100 H LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.1-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 HA LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 80 - HB3 LYS 106 far 0 61 0 - 7.2-11.7 HG LEU 80 - HB2 LYS 106 far 0 61 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 6460 from cnoeabs.peaks (1.40, 1.72, 35.30 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 GLN 83 - HB3 LYS 106 far 0 65 0 - 6.1-8.2 HB3 GLN 83 - HB2 LYS 106 far 0 65 0 - 6.5-8.9 QB ALA 113 - HB2 LYS 106 far 0 96 0 - 6.7-8.3 QB ALA 113 - HB3 LYS 106 far 0 95 0 - 6.9-8.4 Violated in 0 structures by 0.00 A. Peak 6461 from cnoeabs.peaks (1.56, 1.72, 35.30 ppm; 4.20 A): 4 out of 6 assignments used, quality = 1.00: * HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.6 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.5-3.8 3.6=100 HG3 LYS 96 - HB3 LYS 106 far 0 93 0 - 9.9-15.5 HG2 LYS 115 - HB2 LYS 106 far 0 100 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 6462 from cnoeabs.peaks (1.56, 1.72, 35.30 ppm; 4.20 A): 4 out of 6 assignments used, quality = 1.00: * HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.6 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.5-3.8 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HG3 LYS 96 - HB3 LYS 106 far 0 95 0 - 9.9-15.5 HG2 LYS 115 - HB2 LYS 106 far 0 100 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-4.6 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 1.8-4.6 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-5.0 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.2-4.6 5.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-4.6 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.0-4.6 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.2-4.6 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-5.0 5.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.8 4.0=100 H LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.7 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 HA LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 80 - HB3 LYS 106 far 0 61 0 - 7.2-11.7 HG LEU 80 - HB2 LYS 106 far 0 61 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 6470 from cnoeabs.peaks (1.40, 1.71, 35.30 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 83 - HB3 LYS 106 far 0 65 0 - 6.1-8.2 HB3 GLN 83 - HB2 LYS 106 far 0 65 0 - 6.5-8.9 QB ALA 113 - HB2 LYS 106 far 0 95 0 - 6.7-8.3 QB ALA 113 - HB3 LYS 106 far 0 96 0 - 6.9-8.4 Violated in 0 structures by 0.00 A. Peak 6471 from cnoeabs.peaks (1.56, 1.71, 35.30 ppm; 4.16 A): 4 out of 6 assignments used, quality = 1.00: * HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.5-3.8 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.6 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HG3 LYS 96 - HB3 LYS 106 far 0 94 0 - 9.9-15.5 HG2 LYS 115 - HB2 LYS 106 far 0 100 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 6472 from cnoeabs.peaks (1.56, 1.71, 35.30 ppm; 4.16 A): 4 out of 6 assignments used, quality = 1.00: * HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.5-3.8 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.2-3.6 3.6=100 HG3 LYS 96 - HB3 LYS 106 far 0 96 0 - 9.9-15.5 HG2 LYS 115 - HB2 LYS 106 far 0 100 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-5.0 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.2-4.6 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.0-4.6 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 1.8-4.6 5.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.6 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.1-5.0 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 1.8-4.6 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.0-4.6 5.1=100 Violated in 0 structures by 0.00 A. Peak 6475 from cnoeabs.peaks (8.81, 1.46, 24.00 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 106 + HG2 LYS 106 OK 100 100 100 100 1.9-4.3 1704=100, 1705/1.8=94...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 6477 from cnoeabs.peaks (1.72, 1.46, 24.00 ppm; 3.02 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 90 + HG2 LYS 106 OK 21 98 30 70 2.0-8.0 3.1/11568=26...(16) HB3 LYS 94 - HG2 LYS 106 far 6 61 10 - 3.0-8.4 Violated in 0 structures by 0.00 A. Peak 6478 from cnoeabs.peaks (1.71, 1.46, 24.00 ppm; 3.02 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 90 + HG2 LYS 106 OK 20 96 30 70 2.0-8.0 3.1/11568=26...(16) Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 83 - HG2 LYS 106 far 0 65 0 - 7.1-9.3 QB ALA 113 - HG2 LYS 106 far 0 96 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 6481 from cnoeabs.peaks (1.56, 1.46, 24.00 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 115 - HG2 LYS 106 far 0 100 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 6482 from cnoeabs.peaks (1.56, 1.46, 24.00 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 115 - HG2 LYS 106 far 0 100 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.2 3.6=100 HE3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.8-4.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.2 3.6=100 HE2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.1-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 6485 from cnoeabs.peaks (8.81, 1.40, 24.00 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 106 + HG3 LYS 106 OK 100 100 100 100 1.8-4.1 1705=100, 1704/1.8=87...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 6487 from cnoeabs.peaks (1.72, 1.40, 24.00 ppm; 3.59 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 90 + HG3 LYS 106 OK 33 98 40 85 1.9-7.8 3.1/10288=32, ~11568=31...(18) HB3 LYS 94 - HG3 LYS 106 poor 15 61 25 - 3.5-7.3 Violated in 0 structures by 0.00 A. Peak 6488 from cnoeabs.peaks (1.71, 1.40, 24.00 ppm; 3.59 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 90 + HG3 LYS 106 OK 32 96 40 85 1.9-7.8 3.1/10288=32, ~11568=31...(18) Violated in 0 structures by 0.00 A. Peak 6489 from cnoeabs.peaks (1.46, 1.40, 24.00 ppm; 2.67 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 80 - HG3 LYS 106 far 0 61 0 - 6.6-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.8 3.6=100 HE3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.1 3.6=100 HE2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-3.8 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-5.0 6.1=100 H LYS 106 + HD3 LYS 106 OK 100 100 100 100 1.9-5.4 6.1=100 Violated in 0 structures by 0.00 A. Peak 6497 from cnoeabs.peaks (1.72, 1.56, 29.23 ppm; 3.04 A): 6 out of 8 assignments used, quality = 1.00: * HB2 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.2-3.6 3.6=61, 6517/3.0=14...(17) HB2 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6517/3.0=14...(17) HB3 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6528/3.0=13...(17) HB3 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.5-3.8 3.6=61, 6528/3.0=13...(17) HB3 LEU 90 + HD2 LYS 106 OK 34 98 60 58 1.9-8.1 3.1/10290=17, ~11568=12...(12) HB3 LEU 90 + HD3 LYS 106 OK 31 98 55 58 2.0-8.5 3.1/10290=17, ~11568=12...(12) HB3 LYS 94 - HD2 LYS 106 poor 15 61 25 - 3.8-8.3 HB3 LYS 94 - HD3 LYS 106 far 9 61 15 - 3.1-8.6 Violated in 0 structures by 0.00 A. Peak 6498 from cnoeabs.peaks (1.71, 1.56, 29.23 ppm; 3.04 A): 6 out of 6 assignments used, quality = 1.00: HB2 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.2-3.6 3.6=61, 6518/3.0=14...(17) HB2 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6518/3.0=14...(17) * HB3 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6528/3.0=13...(17) HB3 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.5-3.8 3.6=61, 6528/3.0=13...(17) HB3 LEU 90 + HD2 LYS 106 OK 33 96 60 58 1.9-8.1 3.1/10290=17, ~11568=12...(12) HB3 LEU 90 + HD3 LYS 106 OK 31 95 55 58 2.0-8.5 3.1/10290=17, ~11568=12...(12) Violated in 0 structures by 0.00 A. Peak 6499 from cnoeabs.peaks (1.46, 1.56, 29.23 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 80 - HD2 LYS 106 far 0 61 0 - 7.5-12.8 HG LEU 80 - HD3 LYS 106 far 0 61 0 - 7.8-12.7 Violated in 0 structures by 0.00 A. Peak 6500 from cnoeabs.peaks (1.40, 1.56, 29.23 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 113 - HD3 LYS 106 far 0 95 0 - 8.4-10.5 HB3 GLN 83 - HD2 LYS 106 far 0 65 0 - 8.5-10.8 QB ALA 113 - HD2 LYS 106 far 0 96 0 - 8.5-10.2 HB3 GLN 83 - HD3 LYS 106 far 0 65 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6507 from cnoeabs.peaks (1.72, 1.56, 29.23 ppm; 3.04 A): 6 out of 8 assignments used, quality = 1.00: * HB2 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6517/3.0=14...(17) HB2 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.2-3.6 3.6=61, 6517/3.0=14...(17) HB3 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.5-3.8 3.6=61, 6528/3.0=13...(17) HB3 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6528/3.0=13...(17) HB3 LEU 90 + HD2 LYS 106 OK 34 98 60 58 1.9-8.1 3.1/10290=17, ~11568=12...(12) HB3 LEU 90 + HD3 LYS 106 OK 31 98 55 58 2.0-8.5 3.1/10290=17, ~11568=12...(12) HB3 LYS 94 - HD2 LYS 106 poor 15 61 25 - 3.8-8.3 HB3 LYS 94 - HD3 LYS 106 far 9 61 15 - 3.1-8.6 Violated in 0 structures by 0.00 A. Peak 6508 from cnoeabs.peaks (1.71, 1.56, 29.23 ppm; 3.04 A): 6 out of 6 assignments used, quality = 1.00: HB2 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6518/3.0=14...(17) HB2 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.2-3.6 3.6=61, 6518/3.0=14...(17) * HB3 LYS 106 + HD3 LYS 106 OK 88 100 100 88 2.5-3.8 3.6=61, 6528/3.0=13...(17) HB3 LYS 106 + HD2 LYS 106 OK 88 100 100 88 2.1-4.2 3.6=61, 6528/3.0=13...(17) HB3 LEU 90 + HD2 LYS 106 OK 33 95 60 58 1.9-8.1 3.1/10290=17, ~11568=12...(12) HB3 LEU 90 + HD3 LYS 106 OK 31 96 55 58 2.0-8.5 3.1/10290=17, ~11568=12...(12) Violated in 0 structures by 0.00 A. Peak 6509 from cnoeabs.peaks (1.46, 1.56, 29.23 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 80 - HD2 LYS 106 far 0 61 0 - 7.5-12.8 HG LEU 80 - HD3 LYS 106 far 0 61 0 - 7.8-12.7 Violated in 0 structures by 0.00 A. Peak 6510 from cnoeabs.peaks (1.40, 1.56, 29.23 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 113 - HD3 LYS 106 far 0 96 0 - 8.4-10.5 HB3 GLN 83 - HD2 LYS 106 far 0 65 0 - 8.5-10.8 QB ALA 113 - HD2 LYS 106 far 0 95 0 - 8.5-10.2 HB3 GLN 83 - HD3 LYS 106 far 0 65 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6517 from cnoeabs.peaks (1.72, 2.95, 41.78 ppm; 2.64 A): 4 out of 19 assignments used, quality = 0.95: * HB2 LYS 106 + HE2 LYS 106 OK 60 100 85 71 2.0-4.6 2.9/6520=18, 5.1=14...(19) HB3 LYS 106 + HE3 LYS 106 OK 57 100 80 71 2.2-4.6 2.9/6520=18, 5.1=14...(19) HB2 LYS 106 + HE3 LYS 106 OK 50 100 70 71 1.8-4.6 2.9/6520=18, 5.1=14...(19) HB3 LYS 106 + HE2 LYS 106 OK 43 100 60 71 2.1-5.0 2.9/6520=18, 5.1=14...(19) HD3 LYS 39 - HE3 LYS 40 poor 12 48 25 - 3.0-8.9 HB3 LEU 90 - HE3 LYS 106 poor 10 98 30 35 2.8-7.1 3.1/11572=10, ~11572=6...(9) HB3 LEU 90 - HE2 LYS 106 poor 10 98 30 34 1.9-6.7 3.1/11572=10, ~11572=6...(9) HB3 LYS 94 - HE3 LYS 106 far 3 61 5 - 4.1-8.8 HD2 LYS 39 - HE3 LYS 40 far 3 50 5 - 4.0-8.1 HG3 LYS 39 - HE3 LYS 40 far 2 34 5 - 3.9-9.0 HB3 LYS 94 - HE2 LYS 106 far 0 61 0 - 4.6-8.7 HD3 LYS 44 - HE3 LYS 40 far 0 44 0 - 5.2-10.4 HD2 LYS 44 - HE3 LYS 40 far 0 39 0 - 5.8-10.8 HB2 LEU 114 - HE2 LYS 20 far 0 38 0 - 8.6-13.0 HB2 LEU 114 - HE3 LYS 20 far 0 38 0 - 8.9-13.2 HG2 ARG 118 - HE3 LYS 20 far 0 55 0 - 9.1-17.0 HG12 ILE 15 - HE3 LYS 20 far 0 62 0 - 9.4-15.7 HG2 ARG 118 - HE2 LYS 20 far 0 55 0 - 9.5-16.8 HG12 ILE 15 - HE2 LYS 20 far 0 62 0 - 9.6-15.6 Violated in 4 structures by 0.14 A. Peak 6518 from cnoeabs.peaks (1.71, 2.95, 41.78 ppm; 2.64 A): 4 out of 15 assignments used, quality = 0.95: HB2 LYS 106 + HE2 LYS 106 OK 60 100 85 71 2.0-4.6 2.9/6520=18, 5.1=14...(19) HB3 LYS 106 + HE3 LYS 106 OK 57 100 80 71 2.2-4.6 2.9/6520=18, 5.1=14...(19) HB2 LYS 106 + HE3 LYS 106 OK 50 100 70 71 1.8-4.6 2.9/6520=18, 5.1=14...(19) * HB3 LYS 106 + HE2 LYS 106 OK 43 100 60 71 2.1-5.0 2.9/6520=18, 5.1=14...(19) HD3 LYS 39 - HE3 LYS 40 poor 13 52 25 - 3.0-8.9 HB3 LEU 90 - HE3 LYS 106 poor 10 95 30 35 2.8-7.1 3.1/11572=10, ~11572=6...(9) HB3 LEU 90 - HE2 LYS 106 poor 10 96 30 34 1.9-6.7 3.1/11572=10, ~11572=6...(9) HD2 LYS 39 - HE3 LYS 40 far 3 54 5 - 4.0-8.1 HG3 LYS 39 - HE3 LYS 40 far 2 39 5 - 3.9-9.0 HD3 LYS 44 - HE3 LYS 40 far 0 48 0 - 5.2-10.4 HD2 LYS 44 - HE3 LYS 40 far 0 44 0 - 5.8-10.8 HG2 ARG 118 - HE3 LYS 20 far 0 49 0 - 9.1-17.0 HG12 ILE 15 - HE3 LYS 20 far 0 57 0 - 9.4-15.7 HG2 ARG 118 - HE2 LYS 20 far 0 49 0 - 9.5-16.8 HG12 ILE 15 - HE2 LYS 20 far 0 57 0 - 9.6-15.6 Violated in 4 structures by 0.14 A. Peak 6519 from cnoeabs.peaks (1.46, 2.95, 41.78 ppm; 3.26 A): 4 out of 8 assignments used, quality = 1.00: HG2 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.8-4.2 3.6=74, 1.8/6520=38...(23) * HG2 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.1-4.2 3.6=74, 1.8/6520=38...(23) HG3 LYS 20 + HE3 LYS 20 OK 46 46 100 99 2.1-4.2 3.9=59, 1.8/3070=26...(80) HG3 LYS 20 + HE2 LYS 20 OK 46 46 100 99 2.3-4.2 3.9=59, 1.8/3070=26...(80) HG2 LYS 39 - HE3 LYS 40 poor 15 62 25 - 3.4-8.3 HG LEU 80 - HE2 LYS 106 far 0 61 0 - 8.7-13.6 HB3 LEU 38 - HE3 LYS 40 far 0 63 0 - 8.8-12.3 HG LEU 80 - HE3 LYS 106 far 0 61 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 6520 from cnoeabs.peaks (1.40, 2.95, 41.78 ppm; 3.06 A): 2 out of 10 assignments used, quality = 1.00: HG3 LYS 106 + HE3 LYS 106 OK 94 100 100 94 2.1-4.1 3.6=61, 1.8/6519=21...(24) * HG3 LYS 106 + HE2 LYS 106 OK 94 100 100 94 2.3-3.8 3.6=61, 1.8/6519=21...(24) HG3 LYS 16 - HE3 LYS 20 far 0 69 0 - 5.7-12.6 HG3 LYS 16 - HE2 LYS 20 far 0 69 0 - 5.9-12.8 QB ALA 113 - HE3 LYS 106 far 0 95 0 - 7.8-11.2 HB3 LEU 114 - HE3 LYS 20 far 0 70 0 - 7.9-13.9 HB3 LEU 114 - HE2 LYS 20 far 0 70 0 - 8.4-13.0 QB ALA 113 - HE2 LYS 106 far 0 96 0 - 8.4-10.4 HB3 GLN 83 - HE3 LYS 106 far 0 65 0 - 8.5-11.8 HB3 GLN 83 - HE2 LYS 106 far 0 65 0 - 9.1-11.3 Violated in 6 structures by 0.05 A. Peak 6521 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6520=22...(13) HD3 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6520=22...(13) HD2 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6520=22...(13) HD3 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6520=22...(13) QB ALA 46 - HE3 LYS 40 far 0 50 0 - 8.5-10.8 HG3 LYS 96 - HE2 LYS 106 far 0 94 0 - 9.3-16.4 HG LEU 55 - HE3 LYS 20 far 0 70 0 - 9.7-16.0 HG LEU 55 - HE2 LYS 20 far 0 70 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 6522 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6520=22...(13) HD2 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6520=22...(13) HD3 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6520=22...(13) HD2 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6520=22...(13) QB ALA 46 - HE3 LYS 40 far 0 48 0 - 8.5-10.8 HG3 LYS 96 - HE2 LYS 106 far 0 96 0 - 9.3-16.4 HG LEU 55 - HE3 LYS 20 far 0 71 0 - 9.7-16.0 HG LEU 55 - HE2 LYS 20 far 0 71 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 6523 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 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): 4 out of 19 assignments used, quality = 0.95: HB2 LYS 106 + HE2 LYS 106 OK 60 100 85 71 2.0-4.6 2.9/6530=18, 5.1=14...(19) HB3 LYS 106 + HE3 LYS 106 OK 57 100 80 71 2.2-4.6 2.9/6530=18, 5.1=14...(19) * HB2 LYS 106 + HE3 LYS 106 OK 50 100 70 71 1.8-4.6 2.9/6530=18, 5.1=14...(19) HB3 LYS 106 + HE2 LYS 106 OK 43 100 60 71 2.1-5.0 2.9/6530=18, 5.1=14...(19) HD3 LYS 39 - HE3 LYS 40 poor 13 53 25 - 3.0-8.9 HB3 LEU 90 - HE3 LYS 106 poor 10 98 30 35 2.8-7.1 3.1/11572=10, ~11572=6...(9) HB3 LEU 90 - HE2 LYS 106 poor 10 98 30 34 1.9-6.7 3.1/11572=10, ~11572=6...(9) HB3 LYS 94 - HE3 LYS 106 far 3 61 5 - 4.1-8.8 HD2 LYS 39 - HE3 LYS 40 far 3 55 5 - 4.0-8.1 HG3 LYS 39 - HE3 LYS 40 far 2 37 5 - 3.9-9.0 HB3 LYS 94 - HE2 LYS 106 far 0 61 0 - 4.6-8.7 HD3 LYS 44 - HE3 LYS 40 far 0 48 0 - 5.2-10.4 HD2 LYS 44 - HE3 LYS 40 far 0 43 0 - 5.8-10.8 HB2 LEU 114 - HE2 LYS 20 far 0 41 0 - 8.6-13.0 HB2 LEU 114 - HE3 LYS 20 far 0 41 0 - 8.9-13.2 HG2 ARG 118 - HE3 LYS 20 far 0 59 0 - 9.1-17.0 HG12 ILE 15 - HE3 LYS 20 far 0 66 0 - 9.4-15.7 HG2 ARG 118 - HE2 LYS 20 far 0 59 0 - 9.5-16.8 HG12 ILE 15 - HE2 LYS 20 far 0 66 0 - 9.6-15.6 Violated in 4 structures by 0.14 A. Peak 6528 from cnoeabs.peaks (1.71, 2.95, 41.78 ppm; 2.64 A): 4 out of 15 assignments used, quality = 0.95: HB2 LYS 106 + HE2 LYS 106 OK 60 100 85 71 2.0-4.6 2.9/6530=18, 5.1=14...(19) * HB3 LYS 106 + HE3 LYS 106 OK 57 100 80 71 2.2-4.6 2.9/6530=18, 5.1=14...(19) HB2 LYS 106 + HE3 LYS 106 OK 50 100 70 71 1.8-4.6 2.9/6530=18, 5.1=14...(19) HB3 LYS 106 + HE2 LYS 106 OK 43 100 60 71 2.1-5.0 2.9/6530=18, 5.1=14...(19) HD3 LYS 39 - HE3 LYS 40 poor 14 57 25 - 3.0-8.9 HB3 LEU 90 - HE3 LYS 106 poor 10 96 30 35 2.8-7.1 3.1/11572=10, ~11572=6...(9) HB3 LEU 90 - HE2 LYS 106 poor 10 95 30 34 1.9-6.7 3.1/11572=10, ~11572=6...(9) HD2 LYS 39 - HE3 LYS 40 far 3 59 5 - 4.0-8.1 HG3 LYS 39 - HE3 LYS 40 far 2 43 5 - 3.9-9.0 HD3 LYS 44 - HE3 LYS 40 far 0 53 0 - 5.2-10.4 HD2 LYS 44 - HE3 LYS 40 far 0 48 0 - 5.8-10.8 HG2 ARG 118 - HE3 LYS 20 far 0 53 0 - 9.1-17.0 HG12 ILE 15 - HE3 LYS 20 far 0 62 0 - 9.4-15.7 HG2 ARG 118 - HE2 LYS 20 far 0 53 0 - 9.5-16.8 HG12 ILE 15 - HE2 LYS 20 far 0 62 0 - 9.6-15.6 Violated in 4 structures by 0.14 A. Peak 6529 from cnoeabs.peaks (1.46, 2.95, 41.78 ppm; 3.26 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.8-4.2 3.6=74, 1.8/6530=38...(23) HG2 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.1-4.2 3.6=74, 1.8/6530=38...(23) HG3 LYS 20 + HE3 LYS 20 OK 50 50 100 99 2.1-4.2 3.9=59, 1.8/3070=27...(80) HG3 LYS 20 + HE2 LYS 20 OK 50 50 100 99 2.3-4.2 3.9=59, 1.8/3070=27...(80) HG2 LYS 39 - HE3 LYS 40 poor 17 67 25 - 3.4-8.3 HG LEU 80 - HE2 LYS 106 far 0 61 0 - 8.7-13.6 HB3 LEU 38 - HE3 LYS 40 far 0 68 0 - 8.8-12.3 HG LEU 80 - HE3 LYS 106 far 0 61 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 6530 from cnoeabs.peaks (1.40, 2.95, 41.78 ppm; 3.06 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 106 + HE3 LYS 106 OK 94 100 100 94 2.1-4.1 3.6=61, 1.8/6519=21...(24) HG3 LYS 106 + HE2 LYS 106 OK 94 100 100 94 2.3-3.8 3.6=61, 1.8/6519=21...(24) HG3 LYS 16 - HE3 LYS 20 far 0 74 0 - 5.7-12.6 HG3 LYS 16 - HE2 LYS 20 far 0 74 0 - 5.9-12.8 QB ALA 113 - HE3 LYS 106 far 0 96 0 - 7.8-11.2 HB3 LEU 114 - HE3 LYS 20 far 0 75 0 - 7.9-13.9 HB3 LEU 114 - HE2 LYS 20 far 0 75 0 - 8.4-13.0 QB ALA 113 - HE2 LYS 106 far 0 95 0 - 8.4-10.4 HB3 GLN 83 - HE3 LYS 106 far 0 65 0 - 8.5-11.8 HB3 GLN 83 - HE2 LYS 106 far 0 65 0 - 9.1-11.3 Violated in 6 structures by 0.05 A. Peak 6531 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6530=22...(13) HD3 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6530=22...(13) HD2 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6530=22...(13) HD3 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6530=22...(13) QB ALA 46 - HE3 LYS 40 far 0 55 0 - 8.5-10.8 HG3 LYS 96 - HE2 LYS 106 far 0 94 0 - 9.3-16.4 HG LEU 55 - HE3 LYS 20 far 0 75 0 - 9.7-16.0 HG LEU 55 - HE2 LYS 20 far 0 75 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 6532 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6530=22...(13) HD2 LYS 106 + HE3 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6530=22...(13) HD3 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.3-3.0 3.0=94, 3.0/6530=22...(13) HD2 LYS 106 + HE2 LYS 106 OK 98 100 100 98 2.4-3.0 3.0=94, 3.0/6530=22...(13) QB ALA 46 - HE3 LYS 40 far 0 53 0 - 8.5-10.8 HG3 LYS 96 - HE2 LYS 106 far 0 95 0 - 9.3-16.4 HG LEU 55 - HE3 LYS 20 far 0 76 0 - 9.7-16.0 HG LEU 55 - HE2 LYS 20 far 0 76 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB VAL 107 + HA VAL 107 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLN 83 - HA VAL 107 far 15 100 15 - 4.6-7.3 HB2 GLU 111 - HA VAL 107 far 0 70 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 6538 from cnoeabs.peaks (0.87, 4.62, 60.22 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 107 + HA VAL 107 OK 100 100 100 100 2.0-2.7 3.2=100 QD2 LEU 90 + HA VAL 107 OK 22 81 60 46 4.1-5.6 11578/3.0=29...(3) QD1 LEU 14 - HA VAL 107 far 0 94 0 - 7.6-9.0 QG2 VAL 104 - HA VAL 107 far 0 73 0 - 7.7-10.1 QG2 VAL 117 - HA VAL 107 far 0 100 0 - 8.2-9.0 QG2 THR 9 - HA VAL 107 far 0 99 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 6539 from cnoeabs.peaks (0.76, 4.62, 60.22 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * QG1 VAL 107 + HA VAL 107 OK 100 100 100 100 3.1-3.2 3.2=100 QD1 LEU 82 - HA VAL 107 far 0 77 0 - 6.0-8.4 QD2 LEU 14 - HA VAL 107 far 0 100 0 - 7.9-8.8 QD1 LEU 80 - HA VAL 107 far 0 87 0 - 8.1-12.1 QD2 LEU 80 - HA VAL 107 far 0 84 0 - 8.5-12.0 QG2 ILE 7 - HA VAL 107 far 0 61 0 - 8.8-9.8 QD1 ILE 7 - HA VAL 107 far 0 99 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 16 assignments used, quality = 1.00: * QG2 VAL 107 + HB VAL 107 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 90 - HB VAL 107 far 8 81 10 - 4.8-6.3 QG2 VAL 22 - HG2 GLU 21 far 3 57 5 - 4.2-6.5 QG2 VAL 117 - HG3 GLU 21 lone 2 69 35 10 3.9-6.1 10514/8003=7 QG2 VAL 117 - HG2 GLU 21 far 0 78 0 - 4.9-7.0 QD1 LEU 14 - HG3 GLU 21 far 0 61 0 - 5.4-7.6 QG2 VAL 22 - HG3 GLU 21 far 0 49 0 - 5.4-6.6 QD1 LEU 14 - HB VAL 107 far 0 94 0 - 5.9-7.5 QG2 VAL 117 - HB VAL 107 far 0 100 0 - 6.0-7.2 QD1 LEU 14 - HG2 GLU 21 far 0 70 0 - 6.1-7.7 QG2 VAL 104 - HB VAL 107 far 0 73 0 - 7.2-10.0 QG2 THR 9 - HB VAL 107 far 0 99 0 - 7.2-10.2 QG2 THR 9 - HG3 GLU 21 far 0 67 0 - 8.8-10.8 QG2 THR 9 - HG2 GLU 21 far 0 76 0 - 8.8-11.0 QG2 VAL 107 - HG3 GLU 21 far 0 70 0 - 8.8-10.8 QG2 VAL 107 - HG2 GLU 21 far 0 79 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 6544 from cnoeabs.peaks (0.76, 2.12, 35.23 ppm; 3.11 A): 1 out of 17 assignments used, quality = 1.00: * QG1 VAL 107 + HB VAL 107 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 82 - HB VAL 107 far 0 77 0 - 5.6-8.4 QD1 ILE 7 - HG2 GLU 21 far 0 77 0 - 6.3-9.9 QD1 ILE 7 - HG3 GLU 21 far 0 68 0 - 6.8-9.3 QG2 ILE 7 - HB VAL 107 far 0 61 0 - 6.8-8.4 QD2 LEU 14 - HB VAL 107 far 0 100 0 - 7.0-7.8 QG2 ILE 7 - HG3 GLU 21 far 0 36 0 - 7.2-9.3 QD1 LEU 80 - HB VAL 107 far 0 87 0 - 7.4-11.2 QD1 ILE 7 - HB VAL 107 far 0 99 0 - 7.5-10.6 QG2 ILE 7 - HG2 GLU 21 far 0 42 0 - 7.6-10.0 QD2 LEU 80 - HB VAL 107 far 0 84 0 - 7.7-10.5 QD2 LEU 14 - HG3 GLU 21 far 0 70 0 - 7.7-10.1 QD2 LEU 14 - HG2 GLU 21 far 0 79 0 - 7.9-9.9 QG1 VAL 107 - HG3 GLU 21 far 0 70 0 - 8.9-11.1 QD1 ILE 15 - HG3 GLU 21 far 0 70 0 - 9.1-12.7 QG1 VAL 107 - HG2 GLU 21 far 0 79 0 - 9.4-11.8 QD1 ILE 15 - HG2 GLU 21 far 0 79 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 6545 from cnoeabs.peaks (8.55, 0.87, 20.76 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 107 + QG2 VAL 107 OK 99 100 100 99 3.8-4.1 1714/2.1=76, 4.0=75...(12) Violated in 20 structures by 0.26 A. 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 100 100 100 100 2.0-2.7 3.2=100 Violated in 0 structures by 0.00 A. Peak 6547 from cnoeabs.peaks (2.12, 0.87, 20.76 ppm; 2.92 A): 2 out of 8 assignments used, quality = 1.00: * HB VAL 107 + QG2 VAL 107 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 GLN 83 + QG2 VAL 107 OK 89 100 100 89 2.0-4.4 6552/2.1=28...(20) HB2 GLU 111 - QG2 VAL 107 far 0 70 0 - 5.4-7.2 HB2 GLU 119 - QG2 VAL 107 far 0 100 0 - 8.0-9.8 HG3 GLU 21 - QG2 VAL 107 far 0 87 0 - 8.8-10.8 HG2 GLU 21 - QG2 VAL 107 far 0 92 0 - 9.2-12.2 HB3 GLU 119 - QG2 VAL 107 far 0 100 0 - 9.2-10.9 HB2 GLU 21 - QG2 VAL 107 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * QG1 VAL 107 + QG2 VAL 107 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 14 - QG2 VAL 107 far 0 100 0 - 4.4-6.3 QD1 LEU 82 - QG2 VAL 107 far 0 77 0 - 5.2-7.9 QG2 ILE 7 - QG2 VAL 107 far 0 61 0 - 6.3-7.4 QD1 ILE 7 - QG2 VAL 107 far 0 99 0 - 7.3-9.2 QD1 LEU 80 - QG2 VAL 107 far 0 87 0 - 7.5-10.6 QD2 LEU 80 - QG2 VAL 107 far 0 84 0 - 7.7-10.1 QD1 ILE 15 - QG2 VAL 107 far 0 100 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 6550 from cnoeabs.peaks (8.55, 0.76, 21.72 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + QG1 VAL 107 OK 100 100 100 100 2.5-3.2 1714=100, 6545/2.1=73...(16) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 6552 from cnoeabs.peaks (2.12, 0.76, 21.72 ppm; 2.96 A): 2 out of 9 assignments used, quality = 1.00: * HB VAL 107 + QG1 VAL 107 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 GLN 83 + QG1 VAL 107 OK 86 100 95 90 1.9-4.5 6547/2.1=29...(20) HB2 GLU 111 - QG1 VAL 107 far 0 70 0 - 6.7-8.5 HB2 GLU 119 - QG1 VAL 107 far 0 100 0 - 8.2-9.8 HG3 GLU 21 - QG1 VAL 107 far 0 87 0 - 8.9-11.1 HB3 GLU 119 - QG1 VAL 107 far 0 100 0 - 9.4-11.0 HG2 GLU 21 - QG1 VAL 107 far 0 92 0 - 9.4-11.8 HB2 GLU 21 - QG1 VAL 107 far 0 100 0 - 9.8-11.1 HB2 GLU 91 - QG1 VAL 107 far 0 94 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6553 from cnoeabs.peaks (0.87, 0.76, 21.72 ppm; 2.55 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 107 + QG1 VAL 107 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 14 - QG1 VAL 107 poor 19 94 20 - 3.8-5.0 QD2 LEU 90 - QG1 VAL 107 poor 17 81 55 38 3.6-4.5 11578/4.0=11...(10) QG2 VAL 117 - QG1 VAL 107 far 0 100 0 - 4.7-5.4 QG2 VAL 104 - QG1 VAL 107 far 0 73 0 - 4.8-8.8 QG2 THR 9 - QG1 VAL 107 far 0 99 0 - 5.2-7.0 HG13 ILE 57 - QG1 VAL 107 far 0 94 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB THR 108 + HA THR 108 OK 100 100 100 100 2.5-2.8 3.0=100 HA LEU 90 - HA THR 108 far 0 84 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.2=100 Violated in 0 structures by 0.00 A. Peak 6559 from cnoeabs.peaks (8.60, 4.22, 69.97 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H THR 108 + HB THR 108 OK 100 100 100 100 2.5-3.8 1717=99, 1718/2.1=74...(6) H GLN 85 - HB THR 108 poor 17 84 25 80 5.3-6.6 ~10030=35, ~10331=33...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 6563 from cnoeabs.peaks (8.60, 1.25, 21.44 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * H THR 108 + QG2 THR 108 OK 100 100 100 100 2.7-3.0 1718=100, 1717/2.1=69...(6) H GLN 85 + QG2 THR 108 OK 75 84 95 95 4.3-5.7 3.0/10030=59...(9) H LYS 94 - QG2 THR 108 far 0 100 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.2=100 Violated in 0 structures by 0.00 A. Peak 6565 from cnoeabs.peaks (4.22, 1.25, 21.44 ppm; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 108 + QG2 THR 108 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 90 - QG2 THR 108 far 0 84 0 - 6.0-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6570 from cnoeabs.peaks (2.73, 4.74, 53.85 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 109 + HA ASP 109 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 37 - HA ARG 30 far 0 99 0 - 7.5-10.4 HB3 ASN 11 - HA ASP 109 far 0 77 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 6571 from cnoeabs.peaks (8.04, 2.82, 43.69 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 109 + HB2 ASP 109 OK 100 100 100 100 2.3-3.6 1721=100, 1722/1.8=86...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 6575 from cnoeabs.peaks (8.04, 2.73, 43.69 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 109 + HB3 ASP 109 OK 100 100 100 100 2.5-3.6 1722=100, 1721/1.8=85...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ASP 110 + HA ASP 110 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLN 85 - HA ASP 110 far 0 90 0 - 7.0-11.5 HG2 GLN 85 - HA ASP 110 far 0 94 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 6582 from cnoeabs.peaks (2.68, 4.09, 57.39 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 110 + HA ASP 110 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASP 84 - HA ASP 110 far 0 70 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 6587 from cnoeabs.peaks (8.70, 2.68, 40.30 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HB3 ASP 110 OK 100 100 100 100 2.2-3.0 1726=100, 1725/1.8=84...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6589 from cnoeabs.peaks (2.42, 2.68, 40.30 ppm; 2.87 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 110 + HB3 ASP 110 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 85 - HB3 ASP 110 far 0 90 0 - 6.8-11.2 HG2 GLN 85 - HB3 ASP 110 far 0 94 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB2 GLU 111 + HA GLU 111 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 112 - HA GLU 111 far 0 73 0 - 5.6-6.6 HB2 GLU 112 - HA GLU 111 far 0 77 0 - 5.6-6.2 HG3 GLU 21 - HA GLU 111 far 0 99 0 - 5.8-8.1 HG2 GLU 21 - HA GLU 111 far 0 97 0 - 6.3-9.6 HG3 GLN 83 - HA GLU 111 far 0 65 0 - 6.8-10.1 HB2 GLU 21 - HA GLU 111 far 0 70 0 - 7.7-9.2 HB VAL 107 - HA GLU 111 far 0 70 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 6595 from cnoeabs.peaks (2.29, 3.99, 59.36 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 111 + HA GLU 111 OK 100 100 100 100 2.4-3.9 3.9=85, 1731/2.9=34...(20) HG3 GLU 111 + HA GLU 111 OK 65 65 100 99 2.2-3.8 3.9=85, ~6597=22...(20) Violated in 0 structures by 0.00 A. Peak 6596 from cnoeabs.peaks (2.27, 3.99, 59.36 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 111 + HA GLU 111 OK 100 100 100 100 2.2-3.8 3.9=90, 1732/2.9=33...(21) HG2 GLU 111 + HA GLU 111 OK 65 65 100 100 2.4-3.9 3.9=90, ~6597=24...(20) Violated in 0 structures by 0.00 A. Peak 6597 from cnoeabs.peaks (8.21, 2.10, 28.50 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 111 + HB2 GLU 111 OK 99 100 100 99 2.2-2.9 1729=83, 6603/1.8=70...(10) Violated in 0 structures by 0.00 A. Peak 6598 from cnoeabs.peaks (3.99, 2.10, 28.50 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HB2 GLU 111 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 112 + HB2 GLU 111 OK 71 94 80 95 3.9-5.6 3.0/7870=55, ~706=34...(14) HA LEU 14 - HB2 GLU 111 far 0 100 0 - 7.5-9.6 HA LYS 17 - HB2 GLU 111 far 0 99 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 111 + HB2 GLU 111 OK 65 65 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 111 + HB2 GLU 111 OK 65 65 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6603 from cnoeabs.peaks (8.21, 2.02, 28.50 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 111 + HB3 GLU 111 OK 99 100 100 99 2.3-3.6 1730=86, 6597/1.8=72...(7) Violated in 19 structures by 0.13 A. Peak 6604 from cnoeabs.peaks (3.99, 2.02, 28.50 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HB3 GLU 111 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 112 + HB3 GLU 111 OK 84 94 95 94 3.9-5.4 3.0/706=57, ~7870=32...(14) HA LEU 14 - HB3 GLU 111 far 0 100 0 - 8.0-9.5 HA LYS 17 - HB3 GLU 111 far 0 99 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 6605 from cnoeabs.peaks (2.10, 2.02, 28.50 ppm; 2.66 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 111 + HB3 GLU 111 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 112 - HB3 GLU 111 far 0 77 0 - 4.6-5.9 HB3 GLU 112 - HB3 GLU 111 far 0 73 0 - 5.4-6.6 HG3 GLU 21 - HB3 GLU 111 far 0 99 0 - 6.8-9.5 HG2 GLU 21 - HB3 GLU 111 far 0 97 0 - 7.7-11.3 HB VAL 107 - HB3 GLU 111 far 0 70 0 - 8.4-10.3 HG3 GLN 83 - HB3 GLU 111 far 0 65 0 - 8.6-11.7 HB2 GLU 21 - HB3 GLU 111 far 0 70 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 111 + HB3 GLU 111 OK 65 65 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 111 + HB3 GLU 111 OK 65 65 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6609 from cnoeabs.peaks (8.21, 2.29, 36.01 ppm; 3.88 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 111 + HG2 GLU 111 OK 99 100 100 99 2.0-4.4 6597/3.0=66, 6603/3.0=66...(8) H GLU 89 + HG3 GLU 87 OK 51 83 80 77 4.4-6.5 1931/5.0=36, 2130/4.0=26...(9) H GLU 89 + HG2 GLU 87 OK 29 83 45 77 4.7-6.3 1931/5.0=36, 2130/4.0=26...(8) H ASP 84 - HG2 GLU 87 far 0 83 0 - 7.7-10.7 H ASP 84 - HG3 GLU 87 far 0 83 0 - 8.4-10.7 Violated in 1 structures by 0.00 A. Peak 6610 from cnoeabs.peaks (3.99, 2.29, 36.01 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HG2 GLU 111 OK 100 100 100 100 2.4-3.9 3.9=100 HA GLU 112 + HG2 GLU 111 OK 22 94 25 95 3.3-6.7 3.0/7872=37, 6604/3.0=29...(13) HA LEU 14 - HG2 GLU 111 far 0 100 0 - 7.1-10.5 HA LYS 17 - HG2 GLU 111 far 0 99 0 - 8.0-12.3 Violated in 0 structures by 0.00 A. Peak 6611 from cnoeabs.peaks (2.10, 2.29, 36.01 ppm; 2.40 A): 5 out of 16 assignments used, quality = 1.00: HB2 GLU 87 + HG3 GLU 87 OK 79 87 100 91 2.3-3.0 3.0=51, 5707/1.8=25...(15) HB2 GLU 87 + HG2 GLU 87 OK 79 87 100 91 2.6-3.0 3.0=51, 5707/1.8=25...(15) * HB2 GLU 111 + HG2 GLU 111 OK 70 100 100 70 2.3-3.0 3.0=51, 3.0/6595=13...(6) HB3 GLU 69 + HG2 GLU 69 OK 49 52 100 94 2.7-3.0 3.0=51, 5024/1.8=46...(15) HB3 GLU 47 + HG2 GLU 47 OK 31 44 100 71 2.3-3.0 3.0=51, 3.0/4042=22...(4) HB2 GLU 112 - HG2 GLU 111 far 8 77 10 - 3.5-7.2 HB3 GLU 112 - HG2 GLU 111 far 0 73 0 - 4.2-8.3 HB3 GLU 66 - HG2 GLU 69 far 0 59 0 - 4.6-8.4 HG2 GLU 21 - HG2 GLU 111 far 0 97 0 - 6.2-12.1 HG3 GLU 21 - HG2 GLU 111 far 0 99 0 - 6.6-10.9 HB VAL 107 - HG2 GLU 111 far 0 70 0 - 7.6-11.6 HG3 GLN 83 - HG2 GLU 111 far 0 65 0 - 7.8-11.0 HB3 GLU 92 - HG3 GLU 87 far 0 83 0 - 8.2-11.5 HB2 GLU 21 - HG2 GLU 111 far 0 70 0 - 8.4-12.4 HB2 LEU 38 - HG2 GLU 69 far 0 41 0 - 8.9-13.3 HB3 GLU 92 - HG2 GLU 87 far 0 83 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 6612 from cnoeabs.peaks (2.02, 2.29, 36.01 ppm; 2.63 A): 3 out of 12 assignments used, quality = 0.96: * HB3 GLU 111 + HG2 GLU 111 OK 82 100 100 82 2.3-3.0 3.0=67, 3.0/6595=17...(6) HB3 GLU 87 + HG3 GLU 87 OK 54 57 100 94 2.3-3.0 3.0=67, 1.8/5707=29...(16) HB3 GLU 87 + HG2 GLU 87 OK 54 57 100 94 2.3-3.0 3.0=67, 1.8/5707=29...(16) HB2 GLU 66 - HG2 GLU 69 far 2 36 5 - 3.8-8.9 HB2 GLU 48 - HG2 GLU 47 far 0 32 0 - 5.5-8.0 HB2 GLU 89 - HG3 GLU 87 far 0 57 0 - 6.3-8.6 HB3 GLU 48 - HG2 GLU 47 far 0 32 0 - 6.4-8.2 HB2 GLU 89 - HG2 GLU 87 far 0 57 0 - 6.5-9.0 HB3 GLN 85 - HG2 GLU 87 far 0 57 0 - 6.8-11.5 HB3 GLU 89 - HG3 GLU 87 far 0 57 0 - 7.2-9.9 HB3 GLN 85 - HG3 GLU 87 far 0 57 0 - 7.4-11.4 HB3 GLU 89 - HG2 GLU 87 far 0 57 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 6613 from cnoeabs.peaks (2.29, 2.29, 36.01 ppm; diagonal): 5 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 4 assignments used, quality = 1.00: * H GLU 111 + HG3 GLU 111 OK 99 100 100 99 2.0-4.3 6597/3.0=61, 6603/3.0=61...(8) H GLU 89 + HG2 GLU 89 OK 87 89 100 98 1.9-3.5 5769/1.8=69, 1588=43...(14) H GLU 89 + HG3 GLU 92 OK 41 93 50 89 4.6-8.1 3.0/5749=31, 1588=28...(14) H ASP 84 - HG2 GLU 89 far 0 89 0 - 8.2-11.3 Violated in 0 structures by 0.00 A. Peak 6616 from cnoeabs.peaks (3.99, 2.27, 36.01 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HG3 GLU 111 OK 100 100 100 100 2.2-3.8 3.9=100 HA GLU 112 - HG3 GLU 111 poor 19 94 20 - 3.3-6.5 HA LEU 14 - HG3 GLU 111 far 0 100 0 - 7.2-10.0 HA LYS 17 - HG3 GLU 111 far 0 99 0 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 6617 from cnoeabs.peaks (2.10, 2.27, 36.01 ppm; 2.47 A): 4 out of 18 assignments used, quality = 1.00: HB3 GLU 92 + HG3 GLU 92 OK 91 93 100 98 2.7-3.0 5864=67, 1.8/5858=56...(22) HB3 GLU 69 + HG2 GLU 69 OK 87 89 100 99 2.7-3.0 5013=69, 1.8/5017=61...(15) * HB2 GLU 111 + HG3 GLU 111 OK 74 100 100 74 2.4-3.0 3.0=55, 3.0/6596=14...(7) HB2 GLU 103 + HG2 GLU 103 OK 20 32 100 64 2.4-3.0 3.0=57, 1683/4.8=9, 4.7/661=8 HB2 GLU 112 - HG3 GLU 111 far 8 77 10 - 3.3-7.5 HB3 GLU 112 - HG3 GLU 111 far 0 73 0 - 4.1-8.3 HB3 GLU 66 - HG2 GLU 69 far 0 96 0 - 4.6-8.4 HB3 GLU 92 - HG2 GLU 89 far 0 89 0 - 5.2-8.4 HG3 GLU 21 - HG3 GLU 111 far 0 99 0 - 6.5-10.4 HG2 GLU 21 - HG3 GLU 111 far 0 97 0 - 6.6-11.1 HB2 GLU 87 - HG2 GLU 89 far 0 93 0 - 6.9-9.1 HB3 GLU 119 - HG2 GLU 103 far 0 27 0 - 7.0-11.1 HG3 GLN 83 - HG3 GLU 111 far 0 65 0 - 7.1-12.1 HB2 GLU 119 - HG2 GLU 103 far 0 22 0 - 7.2-11.9 HB2 GLU 87 - HG3 GLU 92 far 0 97 0 - 7.5-11.3 HB VAL 107 - HG3 GLU 111 far 0 70 0 - 7.6-11.6 HB2 GLU 21 - HG3 GLU 111 far 0 70 0 - 8.5-12.1 HB2 LEU 38 - HG2 GLU 69 far 0 74 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 6618 from cnoeabs.peaks (2.02, 2.27, 36.01 ppm; 2.65 A): 3 out of 9 assignments used, quality = 0.97: * HB3 GLU 111 + HG3 GLU 111 OK 83 100 100 83 2.3-3.0 3.0=68, 3.0/6596=16...(7) HB2 GLU 89 + HG2 GLU 89 OK 59 62 100 95 2.3-3.0 3.0=68, 1.8/5755=31...(19) HB3 GLU 89 + HG2 GLU 89 OK 59 62 100 94 2.3-3.0 3.0=68, 1.8/5761=31...(18) HB2 GLU 66 - HG2 GLU 69 far 3 66 5 - 3.8-8.9 HB3 GLU 89 - HG3 GLU 92 far 0 66 0 - 4.5-6.8 HB2 GLU 89 - HG3 GLU 92 far 0 66 0 - 4.9-7.3 HB3 GLN 85 - HG2 GLU 89 far 0 62 0 - 6.6-10.2 HB3 GLU 87 - HG2 GLU 89 far 0 62 0 - 6.8-9.1 HB3 GLU 87 - HG3 GLU 92 far 0 66 0 - 8.0-12.0 Violated in 0 structures by 0.00 A. 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): 5 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: HB3 GLU 112 + HA GLU 112 OK 98 100 100 98 2.5-3.0 3.0=91, 3.0/6646=20...(20) * HB2 GLU 112 + HA GLU 112 OK 98 100 100 98 2.3-3.0 3.0=91, 3.0/6646=20...(20) HB2 GLU 111 + HA GLU 112 OK 33 77 55 78 3.9-5.6 7870/3.0=24, ~706=20...(13) HG2 GLU 119 - HA GLU 112 far 0 96 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 6624 from cnoeabs.peaks (2.08, 4.00, 58.75 ppm; 2.88 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLU 112 + HA GLU 112 OK 98 100 100 98 2.5-3.0 3.0=91, 3.0/6646=20...(20) HB2 GLU 112 + HA GLU 112 OK 98 100 100 98 2.3-3.0 3.0=91, 3.0/6646=20...(20) HB2 GLU 111 + HA GLU 112 OK 31 73 55 78 3.9-5.6 7870/3.0=23, ~706=20...(13) HG2 GLU 119 - HA GLU 112 far 0 97 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 6625 from cnoeabs.peaks (2.34, 4.00, 58.75 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 112 + HA GLU 112 OK 99 100 100 99 2.4-3.7 4.1=63, 1.8/6640=40...(23) * HG2 GLU 112 + HA GLU 112 OK 99 100 100 99 2.2-4.0 4.1=63, 1.8/6646=40...(22) HG2 GLN 83 - HA GLU 112 far 0 100 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 6626 from cnoeabs.peaks (2.34, 4.00, 58.75 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 112 + HA GLU 112 OK 99 100 100 99 2.4-3.7 4.1=63, 1.8/6640=40...(23) HG2 GLU 112 + HA GLU 112 OK 99 100 100 99 2.2-4.0 4.1=63, 1.8/6646=40...(22) HG2 GLN 83 - HA GLU 112 far 0 100 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 6627 from cnoeabs.peaks (8.23, 2.08, 29.19 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 112 + HB2 GLU 112 OK 99 100 100 99 2.1-2.9 4.0=72, 709/4.6=38...(20) H GLU 112 + HB3 GLU 112 OK 99 100 100 99 2.3-3.6 4.0=72, 709/4.6=38...(21) Violated in 0 structures by 0.00 A. Peak 6628 from cnoeabs.peaks (4.00, 2.08, 29.19 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 111 - HB3 GLU 112 far 0 94 0 - 5.6-6.6 HA GLU 111 - HB2 GLU 112 far 0 94 0 - 5.6-6.2 HA3 GLY 101 - HB3 GLU 69 far 0 80 0 - 8.7-12.0 HA LEU 14 - HB3 GLU 112 far 0 87 0 - 9.4-10.9 HA LEU 14 - HB2 GLU 112 far 0 87 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG2 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 5.3-7.8 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 5.5-9.4 HG3 GLN 100 - HB3 GLU 69 far 0 74 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 6632 from cnoeabs.peaks (2.34, 2.08, 29.19 ppm; 3.03 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 5.3-7.8 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 5.5-9.4 HG3 GLN 100 - HB3 GLU 69 far 0 77 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 6633 from cnoeabs.peaks (8.23, 2.08, 29.19 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: H GLU 112 + HB2 GLU 112 OK 99 100 100 99 2.1-2.9 4.0=72, 709/4.6=38...(20) * H GLU 112 + HB3 GLU 112 OK 99 100 100 99 2.3-3.6 4.0=72, 709/4.6=38...(21) H GLU 89 - HB3 GLU 91 far 0 30 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 6634 from cnoeabs.peaks (4.00, 2.08, 29.19 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 111 - HB3 GLU 112 far 0 94 0 - 5.6-6.6 HA GLU 111 - HB2 GLU 112 far 0 94 0 - 5.6-6.2 HA3 GLY 101 - HB3 GLU 69 far 0 78 0 - 8.7-12.0 HA LEU 14 - HB3 GLU 112 far 0 87 0 - 9.4-10.9 HA LEU 14 - HB2 GLU 112 far 0 87 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 6635 from cnoeabs.peaks (2.08, 2.08, 29.19 ppm; diagonal): 5 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): 5 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 7 assignments used, quality = 1.00: * HG2 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 5.3-7.8 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 5.5-9.4 HG3 GLN 100 - HB3 GLU 69 far 0 71 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 6638 from cnoeabs.peaks (2.34, 2.08, 29.19 ppm; 3.03 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 5.3-7.8 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 5.5-9.4 HG3 GLN 100 - HB3 GLU 69 far 0 75 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 6639 from cnoeabs.peaks (8.23, 2.34, 36.01 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 112 + HG2 GLU 112 OK 97 100 100 97 2.3-4.6 1737=44, 1738/1.8=34...(17) H GLU 112 + HG3 GLU 112 OK 97 100 100 97 2.1-4.5 1737=44, 1737/1.8=34...(17) Violated in 14 structures by 0.27 A. Peak 6640 from cnoeabs.peaks (4.00, 2.34, 36.01 ppm; 3.19 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 112 + HG3 GLU 112 OK 96 100 100 96 2.4-3.7 4.1=47, 6625/1.8=30...(23) * HA GLU 112 + HG2 GLU 112 OK 96 100 100 96 2.2-4.0 4.1=47, 6626/1.8=30...(22) HA GLU 111 - HG3 GLU 112 far 0 94 0 - 5.5-7.3 HA GLU 111 - HG2 GLU 112 far 0 94 0 - 5.6-7.8 HA3 GLY 101 - HG3 GLU 103 far 0 29 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 6641 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 5 out of 11 assignments used, quality = 1.00: HB3 GLU 112 + HG2 GLU 112 OK 83 100 100 83 2.3-3.0 3.0=60, 3.0/6640=15...(15) * HB2 GLU 112 + HG2 GLU 112 OK 83 100 100 83 2.4-3.0 3.0=60, 3.0/6640=15...(15) HB2 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.3-3.0 3.0=60, 3.0/6640=15...(14) HB3 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.4-3.0 3.0=60, 3.0/6640=15...(14) HB2 GLU 103 + HG3 GLU 103 OK 26 38 100 67 2.3-3.0 3.0=59, 1683/4.8=10, 659/662=9 HB2 GLU 111 - HG3 GLU 112 far 12 77 15 - 3.5-8.0 HB2 GLU 111 - HG2 GLU 112 far 4 77 5 - 3.7-8.4 HB3 PHE 79 - HG3 GLU 103 far 2 33 5 - 3.7-8.7 HG2 GLU 119 - HG2 GLU 112 far 0 96 0 - 7.8-11.6 HG2 GLU 119 - HG3 GLU 112 far 0 95 0 - 7.9-11.7 HB2 LYS 94 - HG3 GLU 103 far 0 26 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 6642 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 5 out of 11 assignments used, quality = 1.00: * HB3 GLU 112 + HG2 GLU 112 OK 83 100 100 83 2.3-3.0 3.0=60, 3.0/6640=15...(15) HB2 GLU 112 + HG2 GLU 112 OK 83 100 100 83 2.4-3.0 3.0=60, 3.0/6640=15...(15) HB3 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.4-3.0 3.0=60, 3.0/6640=15...(14) HB2 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.3-3.0 3.0=60, 3.0/6640=15...(14) HB2 GLU 103 + HG3 GLU 103 OK 25 38 100 67 2.3-3.0 3.0=59, 1683/4.8=10, 659/662=9 HB2 GLU 111 - HG3 GLU 112 far 11 73 15 - 3.5-8.0 HB2 GLU 111 - HG2 GLU 112 far 4 73 5 - 3.7-8.4 HB3 PHE 79 - HG3 GLU 103 far 2 34 5 - 3.7-8.7 HG2 GLU 119 - HG2 GLU 112 far 0 97 0 - 7.8-11.6 HG2 GLU 119 - HG3 GLU 112 far 0 97 0 - 7.9-11.7 HB2 LYS 94 - HG3 GLU 103 far 0 28 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 6643 from cnoeabs.peaks (2.34, 2.34, 36.01 ppm; diagonal): 3 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): 3 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 2 assignments used, quality = 1.00: H GLU 112 + HG2 GLU 112 OK 97 100 100 97 2.3-4.6 1738=44, 1738/1.8=34...(17) * H GLU 112 + HG3 GLU 112 OK 97 100 100 97 2.1-4.5 1738=44, 1737/1.8=34...(17) Violated in 14 structures by 0.27 A. Peak 6646 from cnoeabs.peaks (4.00, 2.34, 36.01 ppm; 3.19 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 112 + HG3 GLU 112 OK 96 100 100 96 2.4-3.7 4.1=47, 6625/1.8=30...(23) HA GLU 112 + HG2 GLU 112 OK 96 100 100 96 2.2-4.0 4.1=47, 6626/1.8=30...(22) HA GLU 111 - HG3 GLU 112 far 0 94 0 - 5.5-7.3 HA GLU 111 - HG2 GLU 112 far 0 94 0 - 5.6-7.8 Violated in 0 structures by 0.00 A. Peak 6647 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 8 assignments used, quality = 1.00: HB3 GLU 112 + HG2 GLU 112 OK 82 100 100 82 2.3-3.0 3.0=60, 3.0/6646=15...(15) HB2 GLU 112 + HG2 GLU 112 OK 82 100 100 82 2.4-3.0 3.0=60, 3.0/6646=15...(15) HB3 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.4-3.0 3.0=60, 3.0/6646=15...(14) * HB2 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.3-3.0 3.0=60, 3.0/6646=15...(14) HB2 GLU 111 - HG3 GLU 112 far 12 77 15 - 3.5-8.0 HB2 GLU 111 - HG2 GLU 112 far 4 77 5 - 3.7-8.4 HG2 GLU 119 - HG2 GLU 112 far 0 95 0 - 7.8-11.6 HG2 GLU 119 - HG3 GLU 112 far 0 96 0 - 7.9-11.7 Violated in 0 structures by 0.00 A. Peak 6648 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 8 assignments used, quality = 1.00: HB3 GLU 112 + HG2 GLU 112 OK 82 100 100 82 2.3-3.0 3.0=60, 3.0/6646=15...(15) HB2 GLU 112 + HG2 GLU 112 OK 82 100 100 82 2.4-3.0 3.0=60, 3.0/6646=15...(15) * HB3 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.4-3.0 3.0=60, 3.0/6646=15...(14) HB2 GLU 112 + HG3 GLU 112 OK 82 100 100 82 2.3-3.0 3.0=60, 3.0/6646=15...(14) HB2 GLU 111 - HG3 GLU 112 far 11 73 15 - 3.5-8.0 HB2 GLU 111 - HG2 GLU 112 far 4 73 5 - 3.7-8.4 HG2 GLU 119 - HG2 GLU 112 far 0 97 0 - 7.8-11.6 HG2 GLU 119 - HG3 GLU 112 far 0 97 0 - 7.9-11.7 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * H ALA 113 + HA ALA 113 OK 100 100 100 100 2.7-2.9 3.0=100 H VAL 117 + HA ALA 113 OK 96 100 100 96 4.5-5.0 737/8252=51, 735/8251=38...(12) Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * QB ALA 113 + HA ALA 113 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLN 83 + HA ALA 113 OK 60 92 100 66 3.8-4.8 10899/10314=22, ~5604=16...(11) HB3 LEU 114 - HA ALA 113 far 0 84 0 - 5.8-6.6 HG3 LYS 106 - HA ALA 113 far 0 96 0 - 8.9-10.1 HG3 LYS 17 - HA ALA 113 far 0 61 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 6654 from cnoeabs.peaks (8.12, 1.41, 18.60 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 113 + QB ALA 113 OK 100 100 100 100 2.0-2.2 2.9=100 H VAL 117 - QB ALA 113 far 0 100 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 6655 from cnoeabs.peaks (3.80, 1.41, 18.60 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 113 + QB ALA 113 OK 100 100 100 100 2.1-2.1 2.1=100 HA LYS 115 - QB ALA 113 far 0 100 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LEU 114 + HA LEU 114 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 118 - HA LEU 114 poor 18 98 40 47 4.9-7.4 1775/2212=26...(3) HG2 LYS 17 - HA LEU 114 far 3 57 5 - 5.1-8.5 HG3 ARG 105 - HA LEU 114 far 0 70 0 - 9.1-11.8 HG12 ILE 15 - HA LEU 114 far 0 94 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 6660 from cnoeabs.peaks (1.40, 3.71, 57.67 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 114 + HA LEU 114 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 113 + HA LEU 114 OK 82 84 100 98 3.7-3.8 7880/3.0=52, 10427=35...(16) HG LEU 14 - HA LEU 114 far 9 61 15 - 4.8-6.6 Violated in 0 structures by 0.00 A. Peak 6661 from cnoeabs.peaks (1.65, 3.71, 57.67 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 114 + HA LEU 114 OK 100 100 100 100 2.3-3.9 3.7=100 HD2 LYS 115 - HA LEU 114 poor 17 99 30 58 4.6-8.6 6749/3.6=29, 1746/3.0=13...(9) HD3 LYS 115 - HA LEU 114 far 14 96 15 - 4.5-8.4 HB ILE 5 - HA LEU 114 far 0 99 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 6662 from cnoeabs.peaks (0.81, 3.71, 57.67 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 114 + HA LEU 114 OK 100 100 100 100 3.4-4.1 3.9=100 QD1 LEU 81 + HA LEU 114 OK 38 73 100 51 3.9-4.5 1747/3.0=21, 723/3.6=16...(6) QG1 VAL 29 - HA LEU 114 far 0 99 0 - 8.1-11.2 QD2 LEU 82 - HA LEU 114 far 0 57 0 - 9.5-10.5 QD1 LEU 64 - HA LEU 114 far 0 94 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 6663 from cnoeabs.peaks (0.67, 3.71, 57.67 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 114 + HA LEU 114 OK 100 100 100 100 1.8-3.8 6693=100, 6692/3.0=44...(17) QD1 ILE 116 - HA LEU 114 far 0 92 0 - 5.6-7.2 QD1 LEU 55 - HA LEU 114 far 0 81 0 - 7.0-8.7 Violated in 2 structures by 0.03 A. Peak 6664 from cnoeabs.peaks (7.74, 1.74, 40.94 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + HB2 LEU 114 OK 100 100 100 100 2.1-3.6 1744=100, 6671/1.8=69...(15) Violated in 0 structures by 0.00 A. Peak 6665 from cnoeabs.peaks (3.71, 1.74, 40.94 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 114 + HB2 LEU 114 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 61 - HB2 LEU 68 far 0 62 0 - 8.1-9.5 HA2 GLY 101 - HB2 LEU 68 far 0 62 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 LEU 114 + HB2 LEU 114 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 68 + HB2 LEU 68 OK 45 45 100 100 1.8-1.8 1.8=100 QB ALA 113 - HB2 LEU 114 poor 19 84 30 76 4.0-5.3 3.7/1744=30...(13) HG LEU 14 - HB2 LEU 114 far 0 61 0 - 4.4-8.4 HG3 LYS 16 - HB2 LEU 114 far 0 100 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 6668 from cnoeabs.peaks (1.65, 1.74, 40.94 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 114 + HB2 LEU 114 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 64 - HB2 LEU 68 poor 19 62 35 88 3.9-6.9 ~9759=21, ~11269=18...(17) HD2 LYS 115 - HB2 LEU 114 poor 16 99 30 54 2.4-9.3 6749/4.3=16, 1746/1744=9...(12) HD2 LYS 65 - HB2 LEU 68 poor 13 70 55 33 3.5-7.7 4.8/8125=25, 3.4/7084=5...(5) HD3 LYS 115 - HB2 LEU 114 poor 12 96 25 51 3.1-8.8 6749/4.3=16, ~11131=8...(12) HD3 LYS 65 - HB2 LEU 68 far 0 71 0 - 5.0-8.0 Violated in 0 structures by 0.00 A. Peak 6669 from cnoeabs.peaks (0.81, 1.74, 40.94 ppm; 3.58 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 114 + HB2 LEU 114 OK 100 100 100 100 2.0-3.1 3.1=100 QD1 LEU 64 + HB2 LEU 68 OK 37 62 65 92 3.4-5.9 11269/3.1=34, ~11073=25...(18) QG2 ILE 71 - HB2 LEU 68 far 0 56 0 - 5.8-7.0 QD1 LEU 81 - HB2 LEU 114 far 0 73 0 - 5.9-6.5 QD1 LEU 74 - HB2 LEU 68 far 0 56 0 - 7.6-11.6 QD2 LEU 82 - HB2 LEU 68 far 0 34 0 - 7.7-10.6 QG1 VAL 29 - HB2 LEU 114 far 0 99 0 - 8.3-12.9 QD2 LEU 74 - HB2 LEU 68 far 0 50 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 6670 from cnoeabs.peaks (0.67, 1.74, 40.94 ppm; 3.78 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 114 + HB2 LEU 114 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 ILE 71 + HB2 LEU 68 OK 39 45 90 97 4.1-6.0 9760/2.9=56, ~9758=27...(13) QG2 ILE 97 + HB2 LEU 68 OK 37 56 90 74 4.0-6.0 11496/3.1=45, ~11641=22...(9) QD1 ILE 116 - HB2 LEU 114 far 0 92 0 - 6.2-8.6 QD1 ILE 56 - HB2 LEU 68 far 0 62 0 - 6.6-10.3 QD1 LEU 55 - HB2 LEU 114 far 0 81 0 - 7.6-11.1 QD2 LEU 4 - HB2 LEU 68 far 0 64 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 6671 from cnoeabs.peaks (7.74, 1.40, 40.94 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + HB3 LEU 114 OK 100 100 100 100 2.4-3.6 3.9=98, 1744/1.8=89...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6673 from cnoeabs.peaks (1.74, 1.40, 40.94 ppm; 2.74 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 114 + HB3 LEU 114 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 118 - HB3 LEU 114 far 0 98 0 - 4.4-8.9 HG2 LYS 17 - HB3 LEU 114 far 0 57 0 - 4.8-7.7 HG12 ILE 15 - HB3 LEU 114 far 0 94 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG LEU 114 + HB3 LEU 114 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 115 - HB3 LEU 114 poor 15 99 30 51 2.7-8.7 6.0/7883=20, ~11131=8...(10) HD3 LYS 115 - HB3 LEU 114 poor 14 96 30 47 2.6-9.3 6.0/7883=20, ~11131=8...(10) Violated in 0 structures by 0.00 A. Peak 6676 from cnoeabs.peaks (0.81, 1.40, 40.94 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 114 + HB3 LEU 114 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 81 - HB3 LEU 114 far 0 73 0 - 5.7-6.5 QG1 VAL 29 - HB3 LEU 114 far 0 99 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 6677 from cnoeabs.peaks (0.67, 1.40, 40.94 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 114 + HB3 LEU 114 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 ILE 116 - HB3 LEU 114 far 0 92 0 - 6.4-8.4 QD1 LEU 55 - HB3 LEU 114 far 0 81 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 6678 from cnoeabs.peaks (7.74, 1.65, 26.77 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + HG LEU 114 OK 100 100 100 100 1.6-4.6 1746=74, 1744/3.0=67...(15) Violated in 2 structures by 0.08 A. Peak 6679 from cnoeabs.peaks (3.71, 1.65, 26.77 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 114 + HG LEU 114 OK 100 100 100 100 2.3-3.9 3.7=100 HA LYS 61 + HG LEU 64 OK 51 77 70 95 3.8-6.3 8097/3.0=54, 8100/3.0=46...(8) Violated in 0 structures by 0.00 A. Peak 6680 from cnoeabs.peaks (1.74, 1.65, 26.77 ppm; 3.20 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LEU 114 + HG LEU 114 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 90 + HG LEU 90 OK 55 55 100 100 2.3-3.0 3.0=100 HB2 LYS 106 + HG LEU 90 OK 24 38 75 85 2.5-6.9 ~11568=22, ~11574=17...(17) HB2 LEU 68 - HG LEU 64 poor 17 70 30 82 3.9-6.9 ~9759=16, 6669/2.1=15...(16) HB3 LYS 94 - HG LEU 90 far 11 73 15 - 3.9-8.8 HB3 LEU 82 - HG LEU 90 far 7 73 10 - 4.3-8.1 HG2 LYS 17 - HG LEU 114 far 6 57 10 - 3.6-7.3 HG2 ARG 118 - HG LEU 114 far 0 98 0 - 5.8-9.4 HB3 LEU 82 - HG LEU 64 far 0 87 0 - 5.9-9.5 HB2 LEU 80 - HG LEU 64 far 0 50 0 - 6.0-7.2 HG3 ARG 105 - HG LEU 90 far 0 44 0 - 7.5-11.4 HG12 ILE 15 - HG LEU 114 far 0 94 0 - 7.9-11.1 HB2 LEU 80 - HG LEU 90 far 0 41 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 6681 from cnoeabs.peaks (1.40, 1.65, 26.77 ppm; 3.54 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 114 + HG LEU 114 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 113 + HG LEU 114 OK 69 84 90 91 3.1-6.2 3.7/6678=42...(15) HG3 LYS 106 + HG LEU 90 OK 31 70 50 88 3.7-6.8 ~11568=42, 10288/2.1=36...(17) HG LEU 14 - HG LEU 114 poor 16 61 35 75 4.4-6.9 2.1/11519=65, ~11676=10...(5) HB3 LEU 68 - HG LEU 64 far 3 57 5 - 4.9-7.0 QB ALA 113 - HG LEU 90 far 0 55 0 - 8.1-9.6 HG3 LYS 16 - HG LEU 114 far 0 100 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * QD1 LEU 114 + HG LEU 114 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 64 + HG LEU 64 OK 77 77 100 100 2.1-2.1 2.1=100 QD2 LEU 82 - HG LEU 64 lone 3 44 55 12 3.5-8.1 4791/2.1=5...(4) QD2 LEU 82 - HG LEU 90 far 2 35 5 - 4.3-7.5 QD1 LEU 81 - HG LEU 114 far 0 73 0 - 5.7-7.4 QG2 ILE 71 - HG LEU 64 far 0 70 0 - 7.6-9.9 QD1 LEU 81 - HG LEU 64 far 0 57 0 - 8.4-10.4 QD1 LEU 64 - HG LEU 90 far 0 64 0 - 8.6-11.4 QD1 LEU 81 - HG LEU 90 far 0 46 0 - 8.7-10.3 QG1 VAL 29 - HG LEU 114 far 0 99 0 - 9.5-12.7 QD1 LEU 74 - HG LEU 64 far 0 70 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 6684 from cnoeabs.peaks (0.67, 1.65, 26.77 ppm; 3.41 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 114 + HG LEU 114 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 97 - HG LEU 64 far 3 70 5 - 4.9-6.0 QD1 ILE 71 - HG LEU 64 far 0 57 0 - 5.0-8.6 QD1 ILE 56 - HG LEU 64 far 0 77 0 - 5.5-10.2 QD1 ILE 116 - HG LEU 114 far 0 92 0 - 6.0-8.7 QD1 ILE 116 - HG LEU 90 far 0 62 0 - 7.2-10.9 QD1 LEU 55 - HG LEU 64 far 0 64 0 - 7.9-11.7 QD1 LEU 55 - HG LEU 114 far 0 81 0 - 8.0-11.5 QG2 ILE 97 - HG LEU 90 far 0 57 0 - 8.6-12.0 QD2 LEU 4 - HG LEU 64 far 0 79 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.0 4.5=100 Violated in 0 structures by 0.00 A. Peak 6686 from cnoeabs.peaks (3.71, 0.81, 24.73 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 114 + QD1 LEU 114 OK 100 100 100 100 3.4-4.1 6693/2.1=78, 3.9=75...(19) HA LYS 61 + QD1 LEU 64 OK 52 56 100 93 1.9-4.7 9652=44, 8097/3.1=40...(9) HA LEU 114 - QD1 LEU 64 far 0 65 0 - 9.6-14.0 HA2 GLY 101 - QD1 LEU 64 far 0 56 0 - 9.9-12.2 Violated in 4 structures by 0.02 A. Peak 6687 from cnoeabs.peaks (1.74, 0.81, 24.73 ppm; 3.03 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LEU 114 + QD1 LEU 114 OK 99 100 100 99 2.0-3.1 3.1=90, 1.8/6688=59...(11) HG2 LYS 17 + QD1 LEU 114 OK 40 57 80 87 2.3-5.6 ~10918=26, 3.8/11218=25...(10) HB2 LEU 68 + QD1 LEU 64 OK 22 50 55 78 3.4-5.9 ~11073=17, 6669=16...(16) HG2 ARG 118 - QD1 LEU 114 far 15 98 15 - 3.0-8.6 HB3 LEU 82 - QD1 LEU 64 far 3 65 5 - 3.4-7.5 HB2 LEU 80 - QD1 LEU 64 far 0 35 0 - 4.7-7.3 HG12 ILE 15 - QD1 LEU 114 far 0 94 0 - 6.9-10.1 HB3 LYS 94 - QD1 LEU 64 far 0 65 0 - 7.3-10.7 HG3 ARG 105 - QD1 LEU 64 far 0 38 0 - 8.6-12.8 HB3 LEU 90 - QD1 LEU 64 far 0 48 0 - 8.9-11.4 HG12 ILE 15 - QD1 LEU 64 far 0 56 0 - 9.5-12.3 HG3 ARG 105 - QD1 LEU 114 far 0 70 0 - 9.8-13.0 HB2 LYS 106 - QD1 LEU 64 far 0 33 0 - 9.9-12.2 Violated in 1 structures by 0.00 A. Peak 6688 from cnoeabs.peaks (1.40, 0.81, 24.73 ppm; 3.01 A): 1 out of 8 assignments used, quality = 0.99: * HB3 LEU 114 + QD1 LEU 114 OK 99 100 100 99 1.9-3.2 3.1=88, 1.8/6687=41...(12) QB ALA 113 - QD1 LEU 114 poor 17 84 25 79 4.2-5.5 10420/2.1=26...(13) HB3 LEU 68 - QD1 LEU 64 far 4 40 10 - 3.5-6.6 HG LEU 14 - QD1 LEU 114 far 3 61 5 - 4.5-7.3 HG3 LYS 16 - QD1 LEU 114 far 0 100 0 - 6.4-10.2 QB ALA 113 - QD1 LEU 64 far 0 48 0 - 7.4-10.4 HG3 LYS 106 - QD1 LEU 64 far 0 62 0 - 8.4-12.7 HG LEU 14 - QD1 LEU 64 far 0 33 0 - 8.6-11.9 Violated in 2 structures by 0.01 A. Peak 6689 from cnoeabs.peaks (1.65, 0.81, 24.73 ppm; 2.72 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 114 + QD1 LEU 114 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 64 + QD1 LEU 64 OK 56 56 100 100 2.1-2.1 2.1=100 HD2 LYS 115 - QD1 LEU 114 poor 20 99 20 - 2.2-8.7 HD3 LYS 65 - QD1 LEU 64 poor 16 65 55 44 2.0-7.3 ~10805=15, 3.4/10806=11...(6) HD2 LYS 65 - QD1 LEU 64 poor 15 64 55 44 1.9-7.8 ~10805=15, 3.4/10806=11...(6) HD3 LYS 115 - QD1 LEU 114 far 14 96 15 - 1.9-8.3 HB ILE 5 - QD1 LEU 64 far 0 62 0 - 7.6-11.1 HG LEU 90 - QD1 LEU 64 far 0 50 0 - 8.6-11.4 HB2 ARG 30 - QD1 LEU 64 far 0 64 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * QD2 LEU 114 + QD1 LEU 114 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 97 - QD1 LEU 64 poor 7 50 45 31 3.4-5.5 2.1/10134=8, 10133/2.1=7...(7) QD1 ILE 71 - QD1 LEU 64 far 0 40 0 - 5.4-7.6 QD1 ILE 56 - QD1 LEU 64 far 0 56 0 - 5.8-9.4 QD1 ILE 116 - QD1 LEU 114 far 0 92 0 - 6.0-8.0 QD1 LEU 55 - QD1 LEU 64 far 0 45 0 - 6.1-10.8 QD1 LEU 55 - QD1 LEU 114 far 0 81 0 - 7.7-9.7 QD2 LEU 4 - QD1 LEU 64 far 0 58 0 - 8.2-11.1 QD1 ILE 116 - QD1 LEU 64 far 0 54 0 - 8.3-11.8 QD2 LEU 114 - QD1 LEU 64 far 0 65 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 6692 from cnoeabs.peaks (7.74, 0.67, 23.24 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + QD2 LEU 114 OK 100 100 100 100 2.1-4.3 6678/2.1=79, 3.0/6693=79...(13) Violated in 5 structures by 0.02 A. Peak 6693 from cnoeabs.peaks (3.71, 0.67, 23.24 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 114 + QD2 LEU 114 OK 99 100 100 99 1.8-3.8 6663=74, 6686/2.1=35...(17) Violated in 4 structures by 0.09 A. Peak 6694 from cnoeabs.peaks (1.74, 0.67, 23.24 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 114 + QD2 LEU 114 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 LYS 17 + QD2 LEU 114 OK 49 57 90 95 2.3-4.9 1.8/10918=47...(11) HG2 ARG 118 - QD2 LEU 114 far 15 98 15 - 3.3-8.6 HG12 ILE 15 - QD2 LEU 114 far 0 94 0 - 6.1-8.1 HB3 LEU 82 - QD2 LEU 114 far 0 100 0 - 9.4-12.0 HG3 ARG 105 - QD2 LEU 114 far 0 70 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 6695 from cnoeabs.peaks (1.40, 0.67, 23.24 ppm; 3.27 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 114 + QD2 LEU 114 OK 100 100 100 100 1.9-3.2 3.1=100 QB ALA 113 + QD2 LEU 114 OK 57 84 75 91 2.3-5.2 10420=41, 3.7/6692=31...(16) HG LEU 14 - QD2 LEU 114 poor 20 61 65 49 3.9-5.9 ~11519=32, 3.7/10440=10...(5) HG3 LYS 16 - QD2 LEU 114 far 0 100 0 - 6.2-8.6 Violated in 0 structures by 0.00 A. Peak 6696 from cnoeabs.peaks (1.65, 0.67, 23.24 ppm; 3.07 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 114 + QD2 LEU 114 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 115 - QD2 LEU 114 far 14 96 15 - 4.3-8.5 HD2 LYS 115 - QD2 LEU 114 far 5 99 5 - 4.3-8.7 HB ILE 5 - QD2 LEU 114 far 0 99 0 - 8.3-11.6 Violated in 0 structures by 0.00 A. Peak 6697 from cnoeabs.peaks (0.81, 0.67, 23.24 ppm; 2.69 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 114 + QD2 LEU 114 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 81 - QD2 LEU 114 far 0 73 0 - 4.9-6.2 QG1 VAL 29 - QD2 LEU 114 far 0 99 0 - 6.8-9.6 QD2 LEU 82 - QD2 LEU 114 far 0 57 0 - 8.1-10.3 QD1 LEU 64 - QD2 LEU 114 far 0 94 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 115 + HA LYS 115 OK 100 100 100 100 2.9-2.9 3.0=100 HE ARG 105 - HA LYS 115 far 0 65 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LYS 115 + HA LYS 115 OK 99 100 100 99 2.2-3.0 3.0=93, 3.0/6703=38...(27) HB3 LYS 115 + HA LYS 115 OK 98 98 100 99 2.2-2.8 3.0=93, 3.0/6703=38...(26) HG2 MET 121 - HA LYS 115 far 0 90 0 - 8.3-10.7 HB2 LEU 81 - HA LYS 115 far 0 94 0 - 8.3-9.7 HB3 LYS 17 - HA LYS 115 far 0 98 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 6702 from cnoeabs.peaks (1.93, 3.80, 59.88 ppm; 2.93 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 115 + HA LYS 115 OK 99 100 100 99 2.2-2.8 3.0=93, 3.0/6703=38...(26) HB2 LYS 115 + HA LYS 115 OK 98 98 100 99 2.2-3.0 3.0=93, 3.0/6703=38...(26) HG2 MET 121 - HA LYS 115 far 0 70 0 - 8.3-10.7 HB2 LEU 81 - HA LYS 115 far 0 77 0 - 8.3-9.7 HB3 LYS 17 - HA LYS 115 far 0 87 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 6703 from cnoeabs.peaks (1.56, 3.80, 59.88 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 115 + HA LYS 115 OK 100 100 100 100 3.3-3.7 3.9=71, 1753/3.0=57...(38) Violated in 14 structures by 0.07 A. 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 100 100 100 100 2.7-4.2 3.9=100 Violated in 7 structures by 0.05 A. Peak 6705 from cnoeabs.peaks (1.66, 3.80, 59.88 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 115 + HA LYS 115 OK 100 100 100 100 2.4-5.0 2.9/6703=58, 4.9=38...(63) HD3 LYS 115 + HA LYS 115 OK 95 100 95 100 2.2-5.1 2.9/6703=58, 4.9=38...(64) HG LEU 114 - HA LYS 115 poor 20 99 20 - 4.8-6.6 Violated in 11 structures by 0.23 A. Peak 6706 from cnoeabs.peaks (1.66, 3.80, 59.88 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 115 + HA LYS 115 OK 100 100 100 100 2.4-5.0 2.9/6703=58, 4.9=38...(63) * HD3 LYS 115 + HA LYS 115 OK 95 100 95 100 2.2-5.1 2.9/6703=58, 4.9=38...(64) HG LEU 114 - HA LYS 115 poor 19 96 20 - 4.8-6.6 Violated in 11 structures by 0.23 A. Peak 6709 from cnoeabs.peaks (7.62, 1.93, 32.18 ppm; 3.07 A): 2 out of 13 assignments used, quality = 1.00: * H LYS 115 + HB2 LYS 115 OK 98 100 100 98 2.1-3.6 1751=51, 1753/3.0=44...(22) H LYS 115 + HB3 LYS 115 OK 94 96 100 98 2.2-3.6 1751=49, 1753/3.0=44...(20) H LEU 64 - HB2 LYS 65 far 0 83 0 - 4.6-6.1 H LEU 64 - HB3 LYS 65 far 0 85 0 - 4.6-6.5 H GLU 69 - HB3 LYS 65 far 0 83 0 - 4.8-6.2 H GLU 69 - HB2 LYS 65 far 0 80 0 - 5.3-6.1 HE ARG 105 - HB2 LYS 123 far 0 51 0 - 7.4-13.6 HE ARG 105 - HB2 LYS 115 far 0 65 0 - 7.8-13.0 H ASP 34 - HB2 LYS 39 far 0 87 0 - 8.1-10.3 HE ARG 105 - HB3 LYS 123 far 0 29 0 - 8.3-13.6 H GLN 100 - HB3 LYS 65 far 0 90 0 - 8.5-11.2 H GLN 100 - HB2 LYS 65 far 0 88 0 - 8.6-11.9 HE ARG 105 - HB3 LYS 115 far 0 58 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 6710 from cnoeabs.peaks (3.80, 1.93, 32.18 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: * HA LYS 115 + HB2 LYS 115 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 115 + HB3 LYS 115 OK 96 96 100 100 2.2-2.8 3.0=100 HA LYS 65 + HB3 LYS 65 OK 90 90 100 100 2.4-2.9 3.0=100 HA LYS 65 + HB2 LYS 65 OK 88 88 100 100 2.2-3.0 3.0=100 HA ALA 113 - HB2 LYS 115 far 0 100 0 - 5.0-7.1 HA ALA 113 - HB3 LYS 115 far 0 96 0 - 5.4-7.2 Violated in 0 structures by 0.00 A. Peak 6711 from cnoeabs.peaks (1.93, 1.93, 32.18 ppm; diagonal): 7 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): 6 out of 14 assignments used, quality = 1.00: * HG2 LYS 115 + HB2 LYS 115 OK 99 100 100 99 2.3-3.0 3.0=88, 6703/3.0=35...(44) HG2 LYS 115 + HB3 LYS 115 OK 95 96 100 99 2.6-3.0 3.0=88, 6703/3.0=35...(44) HG2 LYS 65 + HB3 LYS 65 OK 77 77 100 100 2.6-3.0 2.9=93, 4797/3.0=26...(46) HG2 LYS 65 + HB2 LYS 65 OK 75 75 100 100 2.4-3.0 2.9=93, 4797/3.0=26...(46) HG2 LYS 123 + HB2 LYS 123 OK 64 64 100 100 2.9-3.0 2.9=89, 2.9/7129=40...(39) HG2 LYS 123 + HB3 LYS 123 OK 38 38 100 100 2.2-2.3 2.9=89, 2.9/7120=31...(42) HG3 LYS 96 - HB3 LYS 65 far 0 85 0 - 6.4-9.1 HG3 LYS 96 - HB2 LYS 65 far 0 83 0 - 6.8-9.6 HB3 LEU 70 - HB2 LYS 39 far 0 78 0 - 7.4-9.8 HG12 ILE 3 - HB3 LYS 123 far 0 55 0 - 8.0-9.2 HB3 LEU 70 - HB2 LYS 65 far 0 83 0 - 8.8-11.0 HB3 LEU 70 - HB3 LYS 65 far 0 85 0 - 8.9-10.8 QB ALA 46 - HB2 LYS 39 far 0 73 0 - 8.9-10.4 HG12 ILE 3 - HB2 LYS 123 far 0 88 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 6714 from cnoeabs.peaks (1.30, 1.93, 32.18 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 115 + HB2 LYS 115 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 115 + HB3 LYS 115 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 LEU 80 - HB2 LYS 65 far 0 75 0 - 8.0-11.8 HB3 LEU 80 - HB3 LYS 65 far 0 77 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 6715 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.63 A): 8 out of 13 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 92 94 100 98 2.4-3.8 3.4=46, 4848/2.9=19...(89) HD2 LYS 115 + HB3 LYS 115 OK 92 96 100 96 2.1-3.8 3.7=36, 6705/3.0=14...(72) HD3 LYS 115 + HB3 LYS 115 OK 91 95 100 96 2.4-3.7 3.7=36, 6705/3.0=14...(72) HD3 LYS 65 + HB3 LYS 65 OK 90 91 100 98 2.0-3.9 3.4=46, 4848/2.9=19...(88) HD2 LYS 65 + HB2 LYS 65 OK 86 92 95 98 2.1-4.2 3.4=46, 4848/2.9=19...(89) HD3 LYS 115 + HB2 LYS 115 OK 77 100 80 96 2.5-4.2 3.7=36, 6705/3.0=14...(72) * HD2 LYS 115 + HB2 LYS 115 OK 72 100 75 96 2.1-4.2 3.7=36, 6705/3.0=14...(72) HD3 LYS 65 + HB2 LYS 65 OK 39 89 45 98 2.2-4.2 3.4=46, 4848/2.9=19...(88) HG LEU 114 - HB2 LYS 115 far 10 99 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 93 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 4 71 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 69 0 - 4.5-6.8 HB ILE 5 - HB3 LYS 123 far 0 46 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 6716 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.63 A): 8 out of 14 assignments used, quality = 1.00: HD3 LYS 115 + HB3 LYS 115 OK 92 96 100 96 2.4-3.7 3.7=36, 6706/3.0=14...(72) HD2 LYS 115 + HB3 LYS 115 OK 91 95 100 96 2.1-3.8 3.7=36, 6706/3.0=14...(72) HD2 LYS 65 + HB3 LYS 65 OK 90 91 100 98 2.4-3.8 3.4=46, 4848/2.9=19...(88) HD3 LYS 65 + HB3 LYS 65 OK 85 87 100 98 2.0-3.9 3.4=46, 4848/2.9=19...(88) HD2 LYS 65 + HB2 LYS 65 OK 83 89 95 98 2.1-4.2 3.4=46, 4848/2.9=19...(88) * HD3 LYS 115 + HB2 LYS 115 OK 77 100 80 96 2.5-4.2 3.7=36, 6706/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 72 100 75 96 2.1-4.2 3.7=36, 6706/3.0=14...(72) HD3 LYS 65 + HB2 LYS 65 OK 37 85 45 98 2.2-4.2 3.4=46, 4848/2.9=19...(88) HG LEU 114 - HB2 LYS 115 far 10 96 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 4 89 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 3 61 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 59 0 - 4.5-6.8 HD2 LYS 43 - HB2 LYS 39 far 0 48 0 - 6.4-8.9 HB ILE 5 - HB3 LYS 123 far 0 40 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 6717 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.79 A): 8 out of 13 assignments used, quality = 1.00: HE3 LYS 115 + HB2 LYS 115 OK 100 100 100 100 3.1-5.0 4.8=49, 6774/3.0=30...(61) * HE2 LYS 115 + HB2 LYS 115 OK 100 100 100 100 3.6-5.3 4.8=49, 6774/3.0=30...(61) HE3 LYS 115 + HB3 LYS 115 OK 95 96 100 100 2.0-5.0 4.8=49, 6774/3.0=30...(61) HE2 LYS 115 + HB3 LYS 115 OK 95 96 100 100 2.0-4.9 4.8=49, 6774/3.0=30...(61) HE3 LYS 65 + HB3 LYS 65 OK 89 89 100 100 2.3-4.6 4.8=51, 4878/2.9=31...(81) HE2 LYS 65 + HB3 LYS 65 OK 89 89 100 100 1.9-4.6 4.8=51, 4878/2.9=31...(81) HE3 LYS 65 + HB2 LYS 65 OK 86 86 100 100 3.3-5.1 4.8=51, 4878/2.9=31...(81) HE2 LYS 65 + HB2 LYS 65 OK 82 86 95 100 3.2-5.3 4.8=51, 4878/2.9=31...(81) HB2 ASP 34 - HB2 LYS 39 far 0 87 0 - 7.0-10.2 HE3 LYS 17 - HB3 LYS 115 far 0 87 0 - 8.0-13.4 HB2 ASN 8 - HB2 LYS 65 far 0 55 0 - 8.2-10.2 HE3 LYS 17 - HB2 LYS 115 far 0 94 0 - 8.3-12.2 HB2 ASN 8 - HB3 LYS 65 far 0 57 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 6718 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.79 A): 8 out of 13 assignments used, quality = 1.00: * HE3 LYS 115 + HB2 LYS 115 OK 100 100 100 100 3.1-5.0 4.8=49, 6774/3.0=30...(61) HE2 LYS 115 + HB2 LYS 115 OK 100 100 100 100 3.6-5.3 4.8=49, 6774/3.0=30...(61) HE3 LYS 115 + HB3 LYS 115 OK 95 96 100 100 2.0-5.0 4.8=49, 6774/3.0=30...(61) HE2 LYS 115 + HB3 LYS 115 OK 95 96 100 100 2.0-4.9 4.8=49, 6774/3.0=30...(61) HE3 LYS 65 + HB3 LYS 65 OK 89 89 100 100 2.3-4.6 4.8=51, 4878/2.9=31...(81) HE2 LYS 65 + HB3 LYS 65 OK 89 89 100 100 1.9-4.6 4.8=51, 4878/2.9=31...(81) HE3 LYS 65 + HB2 LYS 65 OK 86 86 100 100 3.3-5.1 4.8=51, 4878/2.9=31...(81) HE2 LYS 65 + HB2 LYS 65 OK 82 86 95 100 3.2-5.3 4.8=51, 4878/2.9=31...(81) HB2 ASP 34 - HB2 LYS 39 far 0 87 0 - 7.0-10.2 HE3 LYS 17 - HB3 LYS 115 far 0 87 0 - 8.0-13.4 HB2 ASN 8 - HB2 LYS 65 far 0 55 0 - 8.2-10.2 HE3 LYS 17 - HB2 LYS 115 far 0 94 0 - 8.3-12.2 HB2 ASN 8 - HB3 LYS 65 far 0 57 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 6719 from cnoeabs.peaks (7.62, 1.93, 32.18 ppm; 3.13 A): 2 out of 16 assignments used, quality = 1.00: * H LYS 115 + HB3 LYS 115 OK 99 100 100 99 2.2-3.6 1752=50, 1753/3.0=45...(20) H LYS 115 + HB2 LYS 115 OK 94 96 100 98 2.1-3.6 1752=50, 1753/3.0=45...(20) H LEU 64 - HB2 LYS 65 far 5 90 5 - 4.6-6.1 H LEU 64 - HB3 LYS 65 far 4 90 5 - 4.6-6.5 H GLU 69 - HB3 LYS 65 far 0 88 0 - 4.8-6.2 H GLU 69 - HB2 LYS 65 far 0 88 0 - 5.3-6.1 H ALA 46 - HB3 LYS 40 far 0 24 0 - 7.3-8.0 HE ARG 105 - HB2 LYS 123 far 0 58 0 - 7.4-13.6 HE ARG 105 - HB2 LYS 115 far 0 58 0 - 7.8-13.0 H ASP 34 - HB2 LYS 39 far 0 94 0 - 8.1-10.3 H GLN 100 - HB3 LYS 65 far 0 95 0 - 8.5-11.2 H GLN 100 - HB2 LYS 65 far 0 95 0 - 8.6-11.9 HD21 ASN 50 - HB3 LYS 40 far 0 33 0 - 9.2-16.5 H ASP 34 - HB3 LYS 39 far 0 55 0 - 9.3-10.4 HE ARG 105 - HB3 LYS 115 far 0 65 0 - 9.3-12.9 H ALA 46 - HB3 LYS 39 far 0 25 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6720 from cnoeabs.peaks (3.80, 1.93, 32.18 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: * HA LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.2-2.8 3.0=100 HA LYS 115 + HB2 LYS 115 OK 96 96 100 100 2.2-3.0 3.0=100 HA LYS 65 + HB2 LYS 65 OK 95 95 100 100 2.2-3.0 3.0=100 HA LYS 65 + HB3 LYS 65 OK 95 95 100 100 2.4-2.9 3.0=100 HA ALA 113 - HB2 LYS 115 far 0 96 0 - 5.0-7.1 HA ALA 113 - HB3 LYS 115 far 0 100 0 - 5.4-7.2 Violated in 0 structures by 0.00 A. Peak 6721 from cnoeabs.peaks (1.93, 1.93, 32.18 ppm; diagonal): 7 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): 8 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 16 assignments used, quality = 1.00: * HG2 LYS 115 + HB3 LYS 115 OK 99 100 100 99 2.6-3.0 3.0=89, 6703/3.0=35...(44) HG2 LYS 115 + HB2 LYS 115 OK 95 96 100 99 2.3-3.0 3.0=89, 6703/3.0=35...(44) HG2 LYS 65 + HB2 LYS 65 OK 82 83 100 100 2.4-3.0 2.9=93, 4797/3.0=26...(46) HG2 LYS 65 + HB3 LYS 65 OK 82 83 100 100 2.6-3.0 2.9=93, 4797/3.0=26...(46) HG2 LYS 123 + HB2 LYS 123 OK 72 72 100 100 2.9-3.0 2.9=90, 2.9/7083=46...(39) HG3 LYS 96 - HB3 LYS 65 far 0 90 0 - 6.4-9.1 HG3 LYS 96 - HB2 LYS 65 far 0 90 0 - 6.8-9.6 QB ALA 46 - HB3 LYS 40 far 0 43 0 - 7.1-7.6 HB3 LEU 70 - HB3 LYS 39 far 0 47 0 - 7.1-9.4 HB3 LEU 70 - HB2 LYS 39 far 0 85 0 - 7.4-9.8 QB ALA 46 - HB3 LYS 39 far 0 44 0 - 7.8-9.5 HB3 LEU 70 - HB2 LYS 65 far 0 90 0 - 8.8-11.0 HB3 LEU 70 - HB3 LYS 65 far 0 90 0 - 8.9-10.8 QB ALA 46 - HB2 LYS 39 far 0 81 0 - 8.9-10.4 HG12 ILE 3 - HB2 LYS 123 far 0 95 0 - 9.3-10.7 HB3 LEU 70 - HB3 LYS 40 far 0 46 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 6724 from cnoeabs.peaks (1.30, 1.93, 32.18 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 115 + HB2 LYS 115 OK 96 96 100 100 2.2-3.0 3.0=100 HB3 LEU 80 - HB2 LYS 65 far 0 83 0 - 8.0-11.8 HB3 LEU 80 - HB3 LYS 65 far 0 83 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 6725 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.64 A): 8 out of 14 assignments used, quality = 1.00: * HD2 LYS 115 + HB3 LYS 115 OK 96 100 100 96 2.1-3.8 3.7=36, 6705/3.0=15...(72) HD3 LYS 115 + HB3 LYS 115 OK 96 100 100 96 2.4-3.7 3.7=36, 6705/3.0=14...(72) HD2 LYS 65 + HB3 LYS 65 OK 96 98 100 98 2.4-3.8 3.4=47, 4848/2.9=20...(91) HD3 LYS 65 + HB3 LYS 65 OK 94 96 100 98 2.0-3.9 3.4=47, 4848/2.9=20...(91) HD2 LYS 65 + HB2 LYS 65 OK 91 98 95 98 2.1-4.2 3.4=47, 4848/2.9=20...(91) HD3 LYS 115 + HB2 LYS 115 OK 73 95 80 96 2.5-4.2 3.7=36, 6705/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 69 96 75 96 2.1-4.2 3.7=36, 6705/3.0=15...(72) HD3 LYS 65 + HB2 LYS 65 OK 43 96 45 98 2.2-4.2 3.4=47, 4848/2.9=20...(90) HG LEU 114 - HB2 LYS 115 far 9 93 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 99 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 4 76 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 76 0 - 4.5-6.8 HB2 ARG 30 - HB3 LYS 40 far 0 53 0 - 8.3-11.0 HB2 GLU 52 - HB3 LYS 40 far 0 54 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 6726 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.64 A): 8 out of 17 assignments used, quality = 1.00: * HD3 LYS 115 + HB3 LYS 115 OK 96 100 100 96 2.4-3.7 3.7=36, 6706/3.0=14...(72) HD2 LYS 115 + HB3 LYS 115 OK 96 100 100 96 2.1-3.8 3.7=36, 6706/3.0=15...(72) HD2 LYS 65 + HB3 LYS 65 OK 94 96 100 98 2.4-3.8 3.4=47, 4848/2.9=19...(90) HD3 LYS 65 + HB3 LYS 65 OK 90 92 100 98 2.0-3.9 3.4=47, 4848/2.9=19...(90) HD2 LYS 65 + HB2 LYS 65 OK 90 96 95 98 2.1-4.2 3.4=47, 4848/2.9=19...(90) HD3 LYS 115 + HB2 LYS 115 OK 74 96 80 96 2.5-4.2 3.7=36, 6706/3.0=14...(72) HD2 LYS 115 + HB2 LYS 115 OK 68 95 75 96 2.1-4.2 3.7=36, 6706/3.0=15...(72) HD3 LYS 65 + HB2 LYS 65 OK 41 92 45 98 2.2-4.2 3.4=47, 4848/2.9=19...(90) HG LEU 114 - HB2 LYS 115 far 9 89 10 - 4.1-8.0 HG LEU 114 - HB3 LYS 115 far 5 96 5 - 4.1-8.2 HG LEU 64 - HB3 LYS 65 far 3 65 5 - 4.0-7.0 HG LEU 64 - HB2 LYS 65 far 0 66 0 - 4.5-6.8 HD2 LYS 43 - HB3 LYS 39 far 0 27 0 - 5.0-7.3 HD2 LYS 43 - HB2 LYS 39 far 0 54 0 - 6.4-8.9 HD2 LYS 43 - HB3 LYS 40 far 0 26 0 - 7.1-7.8 HB2 ARG 30 - HB3 LYS 40 far 0 51 0 - 8.3-11.0 HB2 GLU 52 - HB3 LYS 40 far 0 53 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 6727 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.96 A): 8 out of 14 assignments used, quality = 1.00: HE3 LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.0-5.0 4.8=55, 6774/3.0=33...(61) * HE2 LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.0-4.9 4.8=55, 6774/3.0=33...(61) HE3 LYS 115 + HB2 LYS 115 OK 96 96 100 100 3.1-5.0 4.8=55, 6774/3.0=33...(61) HE2 LYS 115 + HB2 LYS 115 OK 96 96 100 100 3.6-5.3 4.8=55, 6774/3.0=33...(61) HE2 LYS 65 + HB2 LYS 65 OK 94 94 100 100 3.2-5.3 4.8=58, 4878/2.9=33...(81) HE3 LYS 65 + HB2 LYS 65 OK 94 94 100 100 3.3-5.1 4.8=58, 4878/2.9=33...(81) HE3 LYS 65 + HB3 LYS 65 OK 93 93 100 100 2.3-4.6 4.8=58, 4878/2.9=33...(81) HE2 LYS 65 + HB3 LYS 65 OK 93 93 100 100 1.9-4.6 4.8=58, 4878/2.9=33...(81) HB2 ASP 34 - HB2 LYS 39 far 0 95 0 - 7.0-10.2 HE3 LYS 17 - HB3 LYS 115 far 0 94 0 - 8.0-13.4 HB2 ASN 8 - HB2 LYS 65 far 0 62 0 - 8.2-10.2 HB2 ASP 34 - HB3 LYS 39 far 0 55 0 - 8.2-11.1 HE3 LYS 17 - HB2 LYS 115 far 0 87 0 - 8.3-12.2 HB2 ASN 8 - HB3 LYS 65 far 0 61 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 6728 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.96 A): 8 out of 14 assignments used, quality = 1.00: * HE3 LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.0-5.0 4.8=55, 6774/3.0=33...(61) HE2 LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.0-4.9 4.8=55, 6774/3.0=33...(61) HE3 LYS 115 + HB2 LYS 115 OK 96 96 100 100 3.1-5.0 4.8=55, 6774/3.0=33...(61) HE2 LYS 115 + HB2 LYS 115 OK 96 96 100 100 3.6-5.3 4.8=55, 6774/3.0=33...(61) HE2 LYS 65 + HB2 LYS 65 OK 94 94 100 100 3.2-5.3 4.8=58, 4878/2.9=33...(81) HE3 LYS 65 + HB2 LYS 65 OK 94 94 100 100 3.3-5.1 4.8=58, 4878/2.9=33...(81) HE3 LYS 65 + HB3 LYS 65 OK 93 93 100 100 2.3-4.6 4.8=58, 4878/2.9=33...(81) HE2 LYS 65 + HB3 LYS 65 OK 93 93 100 100 1.9-4.6 4.8=58, 4878/2.9=33...(81) HB2 ASP 34 - HB2 LYS 39 far 0 95 0 - 7.0-10.2 HE3 LYS 17 - HB3 LYS 115 far 0 94 0 - 8.0-13.4 HB2 ASN 8 - HB2 LYS 65 far 0 62 0 - 8.2-10.2 HB2 ASP 34 - HB3 LYS 39 far 0 55 0 - 8.2-11.1 HE3 LYS 17 - HB2 LYS 115 far 0 87 0 - 8.3-12.2 HB2 ASN 8 - HB3 LYS 65 far 0 61 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 6729 from cnoeabs.peaks (7.62, 1.56, 24.91 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 115 + HG2 LYS 115 OK 100 100 100 100 1.8-3.7 1753=100, 3.0/6703=65...(23) H LEU 64 + HG2 LYS 65 OK 28 64 80 55 4.4-7.0 1907/1426=37, 2084/402=28 H GLU 69 - HG2 LYS 65 poor 12 62 20 - 4.1-7.0 H GLN 100 - HG3 LYS 96 far 0 83 0 - 6.3-8.0 HE ARG 105 - HG2 LYS 115 far 0 65 0 - 7.3-13.2 H GLN 100 - HG2 LYS 65 far 0 69 0 - 9.7-11.6 H GLU 69 - HG3 LYS 96 far 0 75 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 6730 from cnoeabs.peaks (3.80, 1.56, 24.91 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 115 + HG2 LYS 115 OK 100 100 100 100 3.3-3.7 6703=100, 3.0/1753=58...(37) HA LYS 65 + HG2 LYS 65 OK 69 69 100 100 2.8-3.6 4797=80, 4798/1.8=65...(37) HA ALA 113 - HG2 LYS 115 poor 19 100 35 53 4.2-5.7 8251/729=27...(6) HA LYS 65 - HG3 LYS 96 far 0 83 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 6731 from cnoeabs.peaks (1.93, 1.56, 24.91 ppm; 2.89 A): 4 out of 11 assignments used, quality = 1.00: * HB2 LYS 115 + HG2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=94, 3.0/6703=36...(47) HB3 LYS 115 + HG2 LYS 115 OK 98 98 100 100 2.6-3.0 3.0=94, 3.0/6703=36...(47) HB3 LYS 65 + HG2 LYS 65 OK 70 70 100 100 2.6-3.0 2.9=99, 3.0/4797=30...(48) HB2 LYS 65 + HG2 LYS 65 OK 69 69 100 100 2.4-3.0 2.9=99, 3.0/4797=30...(48) HB3 LYS 65 - HG3 LYS 96 far 0 84 0 - 6.4-9.1 HB2 LYS 65 - HG3 LYS 96 far 0 83 0 - 6.8-9.6 HB2 LEU 81 - HG2 LYS 115 far 0 94 0 - 7.5-10.9 HB VAL 104 - HG3 LYS 96 far 0 50 0 - 8.2-10.6 HB3 LYS 17 - HG2 LYS 115 far 0 98 0 - 8.4-12.2 HB2 LEU 70 - HG2 LYS 65 far 0 52 0 - 9.7-12.7 HB VAL 104 - HG2 LYS 65 far 0 41 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 6732 from cnoeabs.peaks (1.93, 1.56, 24.91 ppm; 2.89 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LYS 115 + HG2 LYS 115 OK 100 100 100 100 2.6-3.0 3.0=94, 3.0/6703=36...(47) HB2 LYS 115 + HG2 LYS 115 OK 98 98 100 100 2.3-3.0 3.0=94, 3.0/6703=36...(47) HB2 LYS 65 + HG2 LYS 65 OK 73 73 100 100 2.4-3.0 2.9=99, 3.0/4797=30...(48) HB3 LYS 65 + HG2 LYS 65 OK 73 73 100 100 2.6-3.0 2.9=99, 3.0/4797=30...(48) HB3 LYS 65 - HG3 LYS 96 far 0 87 0 - 6.4-9.1 HB2 LYS 65 - HG3 LYS 96 far 0 87 0 - 6.8-9.6 HB2 LEU 81 - HG2 LYS 115 far 0 77 0 - 7.5-10.9 HB VAL 104 - HG3 LYS 96 far 0 70 0 - 8.2-10.6 HB3 LYS 17 - HG2 LYS 115 far 0 87 0 - 8.4-12.2 HB2 LEU 70 - HG2 LYS 65 far 0 66 0 - 9.7-12.7 HB VAL 104 - HG2 LYS 65 far 0 57 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 LYS 115 + HG2 LYS 115 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 80 - HG2 LYS 65 far 0 57 0 - 8.1-12.7 Violated in 0 structures by 0.00 A. Peak 6735 from cnoeabs.peaks (1.66, 1.56, 24.91 ppm; 2.40 A): 4 out of 11 assignments used, quality = 1.00: * HD2 LYS 115 + HG2 LYS 115 OK 92 100 100 92 2.3-3.0 2.9=56, 1.8/6763=17...(41) HD3 LYS 115 + HG2 LYS 115 OK 92 100 100 92 2.2-3.0 2.9=56, 1.8/6763=17...(41) HD2 LYS 65 + HG2 LYS 65 OK 69 73 100 95 2.3-3.0 3.0=53, 4848/1.8=23...(45) HD3 LYS 65 + HG2 LYS 65 OK 67 70 100 95 2.3-3.0 3.0=53, 4848/1.8=23...(45) HG LEU 114 - HG2 LYS 115 far 5 99 5 - 2.9-8.5 HG3 ARG 95 - HG3 LYS 96 far 5 47 10 - 3.1-8.5 HG LEU 64 - HG2 LYS 65 far 0 52 0 - 4.4-7.9 HD3 LYS 65 - HG3 LYS 96 far 0 84 0 - 5.1-10.4 HD2 LYS 65 - HG3 LYS 96 far 0 86 0 - 5.9-10.0 HG LEU 90 - HG3 LYS 96 far 0 54 0 - 8.8-14.0 HG LEU 64 - HG3 LYS 96 far 0 64 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 6736 from cnoeabs.peaks (1.66, 1.56, 24.91 ppm; 2.40 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 115 + HG2 LYS 115 OK 92 100 100 92 2.2-3.0 2.9=56, 1.8/6763=17...(41) HD2 LYS 115 + HG2 LYS 115 OK 92 100 100 92 2.3-3.0 2.9=56, 1.8/6763=17...(41) HD2 LYS 65 + HG2 LYS 65 OK 67 70 100 95 2.3-3.0 3.0=53, 4848/1.8=23...(44) HD3 LYS 65 + HG2 LYS 65 OK 63 66 100 95 2.3-3.0 3.0=53, 4848/1.8=23...(45) HG3 ARG 95 - HG3 LYS 96 far 6 57 10 - 3.1-8.5 HG LEU 114 - HG2 LYS 115 far 5 96 5 - 2.9-8.5 HG LEU 64 - HG2 LYS 65 far 0 44 0 - 4.4-7.9 HD3 LYS 65 - HG3 LYS 96 far 0 79 0 - 5.1-10.4 HD2 LYS 65 - HG3 LYS 96 far 0 84 0 - 5.9-10.0 HG LEU 64 - HG3 LYS 96 far 0 54 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 6737 from cnoeabs.peaks (2.91, 1.56, 24.91 ppm; 3.42 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 115 + HG2 LYS 115 OK 100 100 100 100 2.1-4.2 3.7=80, 6774/1.8=33...(61) HE3 LYS 115 + HG2 LYS 115 OK 100 100 100 100 2.3-4.2 3.7=80, 6774/1.8=33...(61) HE3 LYS 65 + HG2 LYS 65 OK 67 68 100 100 2.2-4.2 3.7=78, 4868/1.8=33...(63) HE2 LYS 65 + HG2 LYS 65 OK 67 68 100 100 2.8-4.1 3.7=78, 4868/1.8=33...(63) HE2 LYS 65 - HG3 LYS 96 poor 16 81 20 - 4.7-9.9 HE3 LYS 65 - HG3 LYS 96 lone 4 81 25 20 3.6-10.2 ~6100=2, ~6099=2...(7) HB2 ASN 8 - HG2 LYS 65 far 0 41 0 - 6.6-10.8 HE3 LYS 17 - HG2 LYS 115 far 0 94 0 - 7.9-13.9 HE3 LYS 94 - HG3 LYS 96 far 0 79 0 - 8.1-12.2 Violated in 0 structures by 0.00 A. Peak 6738 from cnoeabs.peaks (2.91, 1.56, 24.91 ppm; 3.42 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 115 + HG2 LYS 115 OK 100 100 100 100 2.1-4.2 3.7=80, 6774/1.8=33...(61) * HE3 LYS 115 + HG2 LYS 115 OK 100 100 100 100 2.3-4.2 3.7=80, 6774/1.8=33...(61) HE3 LYS 65 + HG2 LYS 65 OK 67 68 100 100 2.2-4.2 3.7=78, 4868/1.8=33...(63) HE2 LYS 65 + HG2 LYS 65 OK 67 68 100 100 2.8-4.1 3.7=78, 4868/1.8=33...(63) HE2 LYS 65 - HG3 LYS 96 poor 16 81 20 - 4.7-9.9 HE3 LYS 65 - HG3 LYS 96 lone 4 81 25 20 3.6-10.2 ~6100=2, ~6099=2...(7) HB2 ASN 8 - HG2 LYS 65 far 0 41 0 - 6.6-10.8 HE3 LYS 17 - HG2 LYS 115 far 0 94 0 - 7.9-13.9 HE3 LYS 94 - HG3 LYS 96 far 0 79 0 - 8.1-12.2 Violated in 0 structures by 0.00 A. Peak 6739 from cnoeabs.peaks (7.62, 1.30, 24.91 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.4-4.4 1754=100, 1753/1.8=96...(24) HE ARG 105 - HG3 LYS 115 far 0 65 0 - 8.3-13.7 Violated in 3 structures by 0.00 A. Peak 6740 from cnoeabs.peaks (3.80, 1.30, 24.91 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.7-4.2 3.9=100 HA ALA 113 - HG3 LYS 115 far 15 100 15 - 4.2-7.0 Violated in 4 structures by 0.04 A. Peak 6741 from cnoeabs.peaks (1.93, 1.30, 24.91 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 115 + HG3 LYS 115 OK 98 98 100 100 2.3-3.0 3.0=100 HB2 LEU 81 - HG3 LYS 115 far 0 94 0 - 7.7-11.6 HB3 LYS 17 - HG3 LYS 115 far 0 98 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 6742 from cnoeabs.peaks (1.93, 1.30, 24.91 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 115 + HG3 LYS 115 OK 98 98 100 100 2.2-3.0 3.0=100 HB2 LEU 81 - HG3 LYS 115 far 0 77 0 - 7.7-11.6 HB3 LYS 17 - HG3 LYS 115 far 0 87 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 114 - HG3 LYS 115 far 5 99 5 - 4.4-9.2 Violated in 0 structures by 0.00 A. Peak 6746 from cnoeabs.peaks (1.66, 1.30, 24.91 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 114 - HG3 LYS 115 far 5 96 5 - 4.4-9.2 Violated in 0 structures by 0.00 A. Peak 6747 from cnoeabs.peaks (2.91, 1.30, 24.91 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.1-3.9 3.7=100 * HE2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.2-3.7 3.7=100 HE3 LYS 17 - HG3 LYS 115 far 0 94 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. Peak 6748 from cnoeabs.peaks (2.91, 1.30, 24.91 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.1-3.9 3.7=100 HE2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.2-3.7 3.7=100 HE3 LYS 17 - HG3 LYS 115 far 0 94 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. Peak 6749 from cnoeabs.peaks (7.62, 1.66, 29.55 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 115 + HD2 LYS 115 OK 100 100 100 100 2.5-5.3 1753/2.9=72, 1754/2.9=55...(29) H LYS 115 + HD3 LYS 115 OK 99 99 100 100 2.4-5.1 1753/2.9=72, 1754/2.9=55...(28) H GLU 69 - HD2 LYS 65 far 9 90 10 - 5.4-8.5 H LEU 64 - HD3 LYS 65 far 4 88 5 - 5.5-7.2 H LEU 64 - HD2 LYS 65 far 0 92 0 - 5.7-7.5 H GLU 69 - HD3 LYS 65 far 0 85 0 - 5.8-8.8 H GLN 100 - HD2 LYS 65 far 0 96 0 - 7.4-12.5 HE ARG 105 - HD2 LYS 115 far 0 65 0 - 7.6-14.9 H GLN 100 - HD3 LYS 65 far 0 93 0 - 7.7-12.4 HE ARG 105 - HD3 LYS 115 far 0 64 0 - 7.8-15.6 Violated in 10 structures by 0.09 A. Peak 6750 from cnoeabs.peaks (3.80, 1.66, 29.55 ppm; 3.86 A): 4 out of 6 assignments used, quality = 1.00: * HA LYS 115 + HD2 LYS 115 OK 100 100 100 100 2.4-5.0 6703/2.9=65, 6705=51...(63) HA LYS 115 + HD3 LYS 115 OK 99 99 100 100 2.2-5.1 6703/2.9=65, 6705=49...(64) HA LYS 65 + HD2 LYS 65 OK 96 96 100 100 1.9-5.1 4797/3.0=64, 4798/3.0=59...(61) HA LYS 65 + HD3 LYS 65 OK 93 93 100 100 3.4-4.9 4797/3.0=64, 4798/3.0=59...(60) HA ALA 113 - HD2 LYS 115 far 5 100 5 - 4.3-8.2 HA ALA 113 - HD3 LYS 115 far 5 99 5 - 4.6-8.4 Violated in 0 structures by 0.00 A. Peak 6751 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: * HB2 LYS 115 + HD2 LYS 115 OK 98 100 100 98 2.1-4.2 3.7=43, 3.0/6705=17...(72) HB2 LYS 115 + HD3 LYS 115 OK 98 99 100 98 2.5-4.2 3.7=43, 3.0/6705=16...(72) HB3 LYS 65 + HD2 LYS 65 OK 97 97 100 99 2.4-3.8 3.4=56, 2.9/4848=22...(94) HB3 LYS 115 + HD2 LYS 115 OK 96 98 100 98 2.1-3.8 3.7=43, 3.0/6705=17...(73) HB2 LYS 65 + HD2 LYS 65 OK 96 96 100 99 2.1-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 115 + HD3 LYS 115 OK 95 97 100 98 2.4-3.7 3.7=43, 3.0/6705=16...(72) HB3 LYS 65 + HD3 LYS 65 OK 93 94 100 99 2.0-3.9 3.4=56, 2.9/4848=22...(94) HB2 LYS 65 + HD3 LYS 65 OK 92 93 100 99 2.2-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 17 - HD2 LYS 115 far 0 98 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 97 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 59 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 63 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 92 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 94 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 78 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 6752 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: HB2 LYS 65 + HD2 LYS 65 OK 98 99 100 99 2.1-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 65 + HD2 LYS 65 OK 98 99 100 99 2.4-3.8 3.4=56, 2.9/4848=22...(94) * HB3 LYS 115 + HD2 LYS 115 OK 98 100 100 98 2.1-3.8 3.7=43, 3.0/6705=17...(73) HB3 LYS 115 + HD3 LYS 115 OK 97 99 100 98 2.4-3.7 3.7=43, 3.0/6705=16...(72) HB2 LYS 115 + HD2 LYS 115 OK 96 98 100 98 2.1-4.2 3.7=43, 3.0/6705=17...(72) HB2 LYS 65 + HD3 LYS 65 OK 96 96 100 99 2.2-4.2 3.4=56, 2.9/4848=22...(94) HB3 LYS 65 + HD3 LYS 65 OK 96 96 100 99 2.0-3.9 3.4=56, 2.9/4848=22...(94) HB2 LYS 115 + HD3 LYS 115 OK 95 97 100 98 2.5-4.2 3.7=43, 3.0/6705=16...(72) HB3 LYS 17 - HD2 LYS 115 far 0 87 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 85 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 80 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 85 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 75 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 77 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 94 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 6753 from cnoeabs.peaks (1.56, 1.66, 29.55 ppm; 2.40 A): 4 out of 9 assignments used, quality = 1.00: * HG2 LYS 115 + HD2 LYS 115 OK 92 100 100 92 2.3-3.0 2.9=56, 6736/1.8=18...(41) HG2 LYS 115 + HD3 LYS 115 OK 91 99 100 92 2.2-3.0 2.9=56, 6736/1.8=17...(41) HG2 LYS 65 + HD2 LYS 65 OK 80 85 100 95 2.3-3.0 3.0=53, 1.8/4848=23...(45) HG2 LYS 65 + HD3 LYS 65 OK 76 80 100 95 2.3-3.0 3.0=53, 1.8/4848=23...(45) HG3 LYS 96 - HD3 LYS 65 far 0 88 0 - 5.1-10.4 HG3 LYS 96 - HD2 LYS 65 far 0 92 0 - 5.9-10.0 HB3 LEU 70 - HD2 LYS 65 far 0 92 0 - 8.6-13.2 HB3 LEU 70 - HD3 LYS 65 far 0 88 0 - 8.8-14.3 HB VAL 78 - HD2 LYS 65 far 0 98 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 6754 from cnoeabs.peaks (1.30, 1.66, 29.55 ppm; 3.07 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 115 + HD2 LYS 115 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 115 + HD3 LYS 115 OK 99 99 100 100 2.3-3.0 2.9=100 HB3 LEU 80 - HD2 LYS 65 far 0 85 0 - 6.4-13.7 HB3 LEU 80 - HD3 LYS 65 far 0 80 0 - 6.5-13.1 Violated in 0 structures by 0.00 A. 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 12 assignments used, quality = 1.00: * HE2 LYS 115 + HD2 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE3 LYS 115 + HD2 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 115 + HD3 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE3 LYS 115 + HD3 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 65 + HD2 LYS 65 OK 93 95 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 65 + HD2 LYS 65 OK 93 95 100 98 2.4-3.0 3.0=74, 4868/3.0=15...(73) HE2 LYS 65 + HD3 LYS 65 OK 89 91 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 65 + HD3 LYS 65 OK 89 91 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 17 - HD2 LYS 115 far 0 94 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 92 0 - 6.4-14.4 HB2 ASN 8 - HD3 LYS 65 far 0 59 0 - 6.7-10.5 HB2 ASN 8 - HD2 LYS 65 far 0 63 0 - 7.2-11.9 Violated in 0 structures by 0.00 A. Peak 6758 from cnoeabs.peaks (2.91, 1.66, 29.55 ppm; 2.69 A): 8 out of 12 assignments used, quality = 1.00: HE2 LYS 115 + HD2 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) * HE3 LYS 115 + HD2 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 115 + HD3 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE3 LYS 115 + HD3 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 65 + HD2 LYS 65 OK 93 95 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 65 + HD2 LYS 65 OK 93 95 100 98 2.4-3.0 3.0=74, 4868/3.0=15...(73) HE2 LYS 65 + HD3 LYS 65 OK 89 91 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 65 + HD3 LYS 65 OK 89 91 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 17 - HD2 LYS 115 far 0 94 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 92 0 - 6.4-14.4 HB2 ASN 8 - HD3 LYS 65 far 0 59 0 - 6.7-10.5 HB2 ASN 8 - HD2 LYS 65 far 0 63 0 - 7.2-11.9 Violated in 0 structures by 0.00 A. Peak 6759 from cnoeabs.peaks (7.62, 1.66, 29.55 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 115 + HD3 LYS 115 OK 100 100 100 100 2.4-5.1 1753/2.9=72, 1754/2.9=55...(28) H LYS 115 + HD2 LYS 115 OK 99 99 100 100 2.5-5.3 1753/2.9=72, 1754/2.9=55...(29) H GLU 69 - HD2 LYS 65 far 9 85 10 - 5.4-8.5 H LEU 64 - HD3 LYS 65 far 4 79 5 - 5.5-7.2 H LEU 64 - HD2 LYS 65 far 0 88 0 - 5.7-7.5 H GLU 69 - HD3 LYS 65 far 0 77 0 - 5.8-8.8 H GLN 100 - HD2 LYS 65 far 0 93 0 - 7.4-12.5 HE ARG 105 - HD2 LYS 115 far 0 64 0 - 7.6-14.9 H GLN 100 - HD3 LYS 65 far 0 85 0 - 7.7-12.4 HE ARG 105 - HD3 LYS 115 far 0 65 0 - 7.8-15.6 Violated in 10 structures by 0.09 A. Peak 6760 from cnoeabs.peaks (3.80, 1.66, 29.55 ppm; 3.86 A): 4 out of 6 assignments used, quality = 1.00: * HA LYS 115 + HD3 LYS 115 OK 100 100 100 100 2.2-5.1 6703/2.9=65, 6706=49...(64) HA LYS 115 + HD2 LYS 115 OK 99 99 100 100 2.4-5.0 6703/2.9=65, 6706=51...(63) HA LYS 65 + HD2 LYS 65 OK 93 93 100 100 1.9-5.1 4797/3.0=64, 4798/3.0=59...(61) HA LYS 65 + HD3 LYS 65 OK 85 85 100 100 3.4-4.9 4797/3.0=64, 4798/3.0=59...(60) HA ALA 113 - HD3 LYS 115 far 5 100 5 - 4.6-8.4 HA ALA 113 - HD2 LYS 115 far 5 99 5 - 4.3-8.2 Violated in 0 structures by 0.00 A. Peak 6761 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: * HB2 LYS 115 + HD3 LYS 115 OK 98 100 100 98 2.5-4.2 3.7=43, 3.0/6706=16...(72) HB2 LYS 115 + HD2 LYS 115 OK 98 99 100 98 2.1-4.2 3.7=43, 3.0/6706=17...(72) HB3 LYS 115 + HD3 LYS 115 OK 96 98 100 98 2.4-3.7 3.7=43, 3.0/6706=16...(72) HB3 LYS 115 + HD2 LYS 115 OK 95 97 100 98 2.1-3.8 3.7=43, 3.0/6706=17...(73) HB3 LYS 65 + HD2 LYS 65 OK 93 94 100 99 2.4-3.8 3.4=56, 2.9/4839=21...(94) HB2 LYS 65 + HD2 LYS 65 OK 92 93 100 99 2.1-4.2 3.4=56, 2.9/4839=21...(94) HB3 LYS 65 + HD3 LYS 65 OK 85 86 100 99 2.0-3.9 3.4=56, 2.9/4839=21...(94) HB2 LYS 65 + HD3 LYS 65 OK 84 85 100 99 2.2-4.2 3.4=56, 2.9/4839=21...(94) HB3 LYS 17 - HD2 LYS 115 far 0 97 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 98 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 52 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 59 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 94 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 92 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 74 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 6762 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 8 out of 15 assignments used, quality = 1.00: * HB3 LYS 115 + HD3 LYS 115 OK 98 100 100 98 2.4-3.7 3.7=43, 3.0/6706=16...(72) HB3 LYS 115 + HD2 LYS 115 OK 97 99 100 98 2.1-3.8 3.7=43, 3.0/6706=17...(72) HB2 LYS 115 + HD3 LYS 115 OK 96 98 100 98 2.5-4.2 3.7=43, 3.0/6706=16...(72) HB2 LYS 65 + HD2 LYS 65 OK 96 96 100 99 2.1-4.2 3.4=56, 2.9/4839=21...(94) HB3 LYS 65 + HD2 LYS 65 OK 95 96 100 99 2.4-3.8 3.4=56, 2.9/4839=21...(94) HB2 LYS 115 + HD2 LYS 115 OK 95 97 100 98 2.1-4.2 3.7=43, 3.0/6706=17...(72) HB2 LYS 65 + HD3 LYS 65 OK 88 89 100 99 2.2-4.2 3.4=56, 2.9/4839=21...(93) HB3 LYS 65 + HD3 LYS 65 OK 88 89 100 99 2.0-3.9 3.4=56, 2.9/4839=21...(93) HB3 LYS 17 - HD2 LYS 115 far 0 85 0 - 7.1-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 87 0 - 7.6-13.0 HB VAL 104 - HD3 LYS 65 far 0 72 0 - 8.1-14.0 HB VAL 104 - HD2 LYS 65 far 0 80 0 - 8.1-14.9 HB2 LEU 81 - HD3 LYS 115 far 0 77 0 - 8.6-13.2 HB2 LEU 81 - HD2 LYS 115 far 0 75 0 - 8.8-12.9 HB2 LEU 70 - HD2 LYS 65 far 0 90 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 6763 from cnoeabs.peaks (1.56, 1.66, 29.55 ppm; 2.40 A): 4 out of 9 assignments used, quality = 1.00: * HG2 LYS 115 + HD3 LYS 115 OK 92 100 100 92 2.2-3.0 2.9=56, 6736/1.8=17...(41) HG2 LYS 115 + HD2 LYS 115 OK 91 99 100 92 2.3-3.0 2.9=56, 6736/1.8=18...(41) HG2 LYS 65 + HD2 LYS 65 OK 76 80 100 95 2.3-3.0 3.0=53, 1.8/4839=22...(45) HG2 LYS 65 + HD3 LYS 65 OK 68 72 100 95 2.3-3.0 3.0=53, 1.8/4839=22...(45) HG3 LYS 96 - HD3 LYS 65 far 0 79 0 - 5.1-10.4 HG3 LYS 96 - HD2 LYS 65 far 0 88 0 - 5.9-10.0 HB3 LEU 70 - HD2 LYS 65 far 0 88 0 - 8.6-13.2 HB3 LEU 70 - HD3 LYS 65 far 0 79 0 - 8.8-14.3 HB VAL 78 - HD2 LYS 65 far 0 95 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 6764 from cnoeabs.peaks (1.30, 1.66, 29.55 ppm; 3.07 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 115 + HD3 LYS 115 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 115 + HD2 LYS 115 OK 99 99 100 100 2.4-3.0 2.9=100 HB3 LEU 80 - HD2 LYS 65 far 0 80 0 - 6.4-13.7 HB3 LEU 80 - HD3 LYS 65 far 0 72 0 - 6.5-13.1 Violated in 0 structures by 0.00 A. 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 12 assignments used, quality = 1.00: * HE2 LYS 115 + HD3 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE3 LYS 115 + HD3 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 115 + HD2 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE3 LYS 115 + HD2 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 65 + HD2 LYS 65 OK 89 91 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(72) HE3 LYS 65 + HD2 LYS 65 OK 89 91 100 98 2.4-3.0 3.0=74, 4868/3.0=15...(72) HE2 LYS 65 + HD3 LYS 65 OK 81 83 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 65 + HD3 LYS 65 OK 81 83 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 17 - HD2 LYS 115 far 0 92 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 94 0 - 6.4-14.4 HB2 ASN 8 - HD3 LYS 65 far 0 52 0 - 6.7-10.5 HB2 ASN 8 - HD2 LYS 65 far 0 59 0 - 7.2-11.9 Violated in 0 structures by 0.00 A. Peak 6768 from cnoeabs.peaks (2.91, 1.66, 29.55 ppm; 2.69 A): 8 out of 12 assignments used, quality = 1.00: HE2 LYS 115 + HD3 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) * HE3 LYS 115 + HD3 LYS 115 OK 95 100 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 115 + HD2 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE3 LYS 115 + HD2 LYS 115 OK 95 99 100 95 2.3-3.0 3.0=75, 6774/2.9=15...(35) HE2 LYS 65 + HD2 LYS 65 OK 89 91 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(72) HE3 LYS 65 + HD2 LYS 65 OK 89 91 100 98 2.4-3.0 3.0=74, 4868/3.0=15...(72) HE2 LYS 65 + HD3 LYS 65 OK 81 83 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 65 + HD3 LYS 65 OK 81 83 100 98 2.3-3.0 3.0=74, 4868/3.0=15...(73) HE3 LYS 17 - HD2 LYS 115 far 0 92 0 - 6.1-15.0 HE3 LYS 17 - HD3 LYS 115 far 0 94 0 - 6.4-14.4 HB2 ASN 8 - HD3 LYS 65 far 0 52 0 - 6.7-10.5 HB2 ASN 8 - HD2 LYS 65 far 0 59 0 - 7.2-11.9 Violated in 0 structures by 0.00 A. Peak 6770 from cnoeabs.peaks (3.80, 2.91, 41.78 ppm; 6.20 A): 4 out of 8 assignments used, quality = 1.00: * HA LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.4-6.6 6.2=99, 6703/3.7=97...(48) HA LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.5-6.5 6.2=99, 6703/3.7=97...(48) HA LYS 65 + HE2 LYS 65 OK 89 89 100 100 2.0-6.5 4797/3.7=95, 4798/3.7=93...(43) HA LYS 65 + HE3 LYS 65 OK 89 89 100 100 3.3-6.0 4797/3.7=95, 4798/3.7=93...(43) HA ALA 113 - HE2 LYS 115 poor 13 100 35 37 5.2-8.8 1750/7.2=25, 6730/3.7=10 HA ALA 113 - HE3 LYS 115 poor 13 100 35 37 5.8-8.9 1750/7.2=25, 6730/3.7=10 HA LYS 115 - HE3 LYS 17 far 0 87 0 - 7.8-12.2 HA ALA 113 - HE3 LYS 17 far 0 87 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 6771 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 9 out of 24 assignments used, quality = 1.00: HB3 LYS 115 + HE3 LYS 115 OK 92 98 95 98 2.0-5.0 4.8=33, 3.0/6784=24...(59) HB3 LYS 65 + HE2 LYS 65 OK 90 91 100 99 1.9-4.6 4.8=34, 2.9/4878=22...(81) HB3 LYS 65 + HE3 LYS 65 OK 90 91 100 99 2.3-4.6 4.8=34, 2.9/4878=22...(81) HB3 LYS 115 + HE2 LYS 115 OK 87 98 90 98 2.0-4.9 4.8=33, 3.0/6784=24...(59) * HB2 LYS 115 + HE2 LYS 115 OK 84 100 85 98 3.6-5.3 4.8=33, 3.0/6774=24...(60) HB3 LYS 17 + HE3 LYS 17 OK 82 83 100 99 2.6-4.7 2863/2.9=54, 1.8/2892=42...(17) HB2 LYS 65 + HE2 LYS 65 OK 71 89 80 99 3.2-5.3 4.8=34, 2.9/4868=22...(81) HB2 LYS 115 + HE3 LYS 115 OK 69 100 70 98 3.1-5.0 4.8=33, 3.0/6774=24...(60) HB2 LYS 65 + HE3 LYS 65 OK 53 89 60 99 3.3-5.1 4.8=34, 2.9/4868=22...(81) HB VAL 104 - HE3 LYS 94 poor 12 53 45 50 2.8-9.5 2.1/10234=30...(4) HB ILE 15 - HE2 LYS 16 lone 7 84 75 11 3.5-6.6 77/7.4=9 HB ILE 15 - HE3 LYS 16 lone 6 84 70 11 4.0-6.5 77/7.4=9 HB3 LYS 17 - HE2 LYS 16 far 0 98 0 - 6.4-10.4 HB ILE 15 - HE3 LYS 17 far 0 67 0 - 6.7-10.5 HB3 LYS 17 - HE3 LYS 16 far 0 98 0 - 7.0-10.0 HB VAL 104 - HE3 LYS 65 far 0 56 0 - 7.7-15.4 HB3 LYS 115 - HE3 LYS 17 far 0 83 0 - 8.0-13.4 HB2 LEU 81 - HE3 LYS 115 far 0 94 0 - 8.3-13.6 HB2 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.3-12.2 HB3 LYS 17 - HE3 LYS 115 far 0 98 0 - 8.3-14.8 HB VAL 104 - HE2 LYS 65 far 0 56 0 - 8.5-15.7 HB2 LEU 81 - HE2 LYS 115 far 0 94 0 - 8.9-13.4 HB3 LYS 17 - HE2 LYS 115 far 0 98 0 - 9.2-14.9 HB2 LEU 81 - HE3 LYS 94 far 0 81 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 6772 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 9 out of 26 assignments used, quality = 1.00: HB3 LYS 115 + HE3 LYS 115 OK 93 100 95 98 2.0-5.0 4.8=33, 3.0/6784=24...(59) HB3 LYS 65 + HE2 LYS 65 OK 93 93 100 99 1.9-4.6 4.8=34, 2.9/4868=22...(81) HB3 LYS 65 + HE3 LYS 65 OK 93 93 100 99 2.3-4.6 4.8=34, 2.9/4868=22...(81) * HB3 LYS 115 + HE2 LYS 115 OK 88 100 90 98 2.0-4.9 4.8=33, 3.0/6784=24...(59) HB2 LYS 115 + HE2 LYS 115 OK 82 98 85 98 3.6-5.3 4.8=33, 3.0/6774=24...(60) HB2 LYS 65 + HE2 LYS 65 OK 74 93 80 99 3.2-5.3 4.8=34, 2.9/4868=22...(81) HB3 LYS 17 + HE3 LYS 17 OK 69 70 100 98 2.6-4.7 1.8/2892=42, 2863/2.9=42...(17) HB2 LYS 115 + HE3 LYS 115 OK 68 98 70 98 3.1-5.0 4.8=33, 3.0/6774=24...(60) HB2 LYS 65 + HE3 LYS 65 OK 56 93 60 99 3.3-5.1 4.8=34, 2.9/4868=22...(81) HB VAL 104 - HE3 LYS 94 poor 17 73 45 52 2.8-9.5 2.1/10234=30...(5) HB ILE 15 - HE2 LYS 16 lone 3 61 75 7 3.5-6.6 77/7.4=7 HB ILE 15 - HE3 LYS 16 lone 3 61 70 7 4.0-6.5 77/7.4=7 HB3 LYS 17 - HE2 LYS 16 far 0 87 0 - 6.4-10.4 HB ILE 15 - HE3 LYS 17 far 0 47 0 - 6.7-10.5 HB3 LYS 17 - HE3 LYS 16 far 0 87 0 - 7.0-10.0 HB VAL 104 - HE3 LYS 65 far 0 76 0 - 7.7-15.4 HB3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.0-13.4 HB2 LEU 81 - HE3 LYS 115 far 0 77 0 - 8.3-13.6 HB2 LYS 115 - HE3 LYS 17 far 0 83 0 - 8.3-12.2 HB3 LYS 17 - HE3 LYS 115 far 0 87 0 - 8.3-14.8 HB VAL 104 - HE2 LYS 65 far 0 76 0 - 8.5-15.7 HB VAL 29 - HE2 LYS 16 far 0 61 0 - 8.6-13.8 HB2 LEU 81 - HE2 LYS 115 far 0 77 0 - 8.9-13.4 HB3 LYS 17 - HE2 LYS 115 far 0 87 0 - 9.2-14.9 HB2 LEU 81 - HE3 LYS 94 far 0 64 0 - 9.3-14.5 HB VAL 29 - HE3 LYS 16 far 0 61 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 6773 from cnoeabs.peaks (1.56, 2.91, 41.78 ppm; 3.09 A): 4 out of 12 assignments used, quality = 1.00: * HG2 LYS 115 + HE2 LYS 115 OK 98 100 100 98 2.1-4.2 3.7=58, 1.8/6784=27...(61) HG2 LYS 115 + HE3 LYS 115 OK 98 100 100 98 2.3-4.2 3.7=58, 1.8/6784=27...(61) HG2 LYS 65 + HE3 LYS 65 OK 75 76 100 98 2.2-4.2 3.7=58, 1.8/4868=24...(63) HG2 LYS 65 + HE2 LYS 65 OK 75 76 100 98 2.8-4.1 3.7=58, 1.8/4868=24...(63) HG3 LYS 96 - HE3 LYS 65 poor 17 84 20 - 3.6-10.2 HD3 LYS 106 - HE3 LYS 94 lone 4 90 40 10 2.2-6.6 10227/10234=7 HD2 LYS 106 - HE3 LYS 94 lone 2 90 45 4 2.5-6.5 HG3 LYS 96 - HE2 LYS 65 far 0 84 0 - 4.7-9.9 HG2 LYS 115 - HE3 LYS 17 far 0 87 0 - 7.9-13.9 HG3 LYS 96 - HE3 LYS 94 far 0 81 0 - 8.1-12.2 HB3 LEU 70 - HE2 LYS 65 far 0 84 0 - 8.9-13.3 HB3 LEU 70 - HE3 LYS 65 far 0 84 0 - 9.3-14.5 Violated in 1 structures by 0.00 A. Peak 6774 from cnoeabs.peaks (1.30, 2.91, 41.78 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.2-3.7 3.7=94, 1.8/6773=24...(73) HG3 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.1-3.9 3.7=94, 1.8/6783=24...(73) HB3 LEU 80 - HE3 LYS 94 far 0 73 0 - 6.6-12.7 HB3 LEU 80 - HE3 LYS 65 far 0 76 0 - 7.1-14.6 HB3 LEU 80 - HE2 LYS 65 far 0 76 0 - 8.2-15.4 HG3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. Peak 6775 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 19 assignments used, quality = 1.00: * HD2 LYS 115 + HE2 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 115 + HE3 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD3 LYS 115 + HE2 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD3 LYS 115 + HE3 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 65 + HE2 LYS 65 OK 87 93 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD2 LYS 65 + HE3 LYS 65 OK 87 93 100 94 2.4-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE2 LYS 65 OK 85 91 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE3 LYS 65 OK 85 91 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HG LEU 114 - HE3 LYS 17 far 8 84 10 - 2.3-6.6 HG3 ARG 95 - HE3 LYS 94 far 5 50 10 - 3.5-10.1 HG LEU 90 - HE3 LYS 94 far 3 57 5 - 4.0-9.5 HG LEU 114 - HE3 LYS 115 far 0 99 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 99 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 5.5-9.8 HD2 LYS 115 - HE3 LYS 17 far 0 87 0 - 6.1-15.0 HD3 LYS 115 - HE3 LYS 17 far 0 86 0 - 6.4-14.4 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 6.5-10.4 HG3 ARG 95 - HE2 LYS 65 far 0 52 0 - 7.7-17.7 HG3 ARG 95 - HE3 LYS 65 far 0 52 0 - 8.3-17.4 Violated in 0 structures by 0.00 A. Peak 6776 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 18 assignments used, quality = 1.00: * HD3 LYS 115 + HE2 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD3 LYS 115 + HE3 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 115 + HE2 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 115 + HE3 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 65 + HE2 LYS 65 OK 85 91 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD2 LYS 65 + HE3 LYS 65 OK 85 91 100 94 2.4-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE2 LYS 65 OK 81 86 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE3 LYS 65 OK 81 86 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HG LEU 114 - HE3 LYS 17 far 8 79 10 - 2.3-6.6 HG3 ARG 95 - HE3 LYS 94 far 6 60 10 - 3.5-10.1 HG LEU 114 - HE3 LYS 115 far 0 96 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 96 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 60 0 - 5.5-9.8 HD2 LYS 115 - HE3 LYS 17 far 0 86 0 - 6.1-15.0 HD3 LYS 115 - HE3 LYS 17 far 0 87 0 - 6.4-14.4 HG LEU 64 - HE2 LYS 65 far 0 60 0 - 6.5-10.4 HG3 ARG 95 - HE2 LYS 65 far 0 63 0 - 7.7-17.7 HG3 ARG 95 - HE3 LYS 65 far 0 63 0 - 8.3-17.4 Violated in 0 structures by 0.00 A. 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): 4 out of 8 assignments used, quality = 1.00: HA LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.4-6.6 6.2=99, 6703/3.7=97...(48) * HA LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.5-6.5 6.2=99, 6703/3.7=97...(48) HA LYS 65 + HE2 LYS 65 OK 89 89 100 100 2.0-6.5 4797/3.7=95, 4798/3.7=93...(43) HA LYS 65 + HE3 LYS 65 OK 89 89 100 100 3.3-6.0 4797/3.7=95, 4798/3.7=93...(43) HA ALA 113 - HE2 LYS 115 poor 13 100 35 37 5.2-8.8 1750/7.2=25, 6730/3.7=10 HA ALA 113 - HE3 LYS 115 poor 13 100 35 37 5.8-8.9 1750/7.2=25, 6730/3.7=10 HA LYS 115 - HE3 LYS 17 far 0 87 0 - 7.8-12.2 HA ALA 113 - HE3 LYS 17 far 0 87 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 6781 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 9 out of 24 assignments used, quality = 1.00: HB3 LYS 115 + HE3 LYS 115 OK 92 98 95 98 2.0-5.0 4.8=33, 3.0/6784=24...(59) HB3 LYS 65 + HE2 LYS 65 OK 90 91 100 99 1.9-4.6 4.8=34, 2.9/4878=22...(81) HB3 LYS 65 + HE3 LYS 65 OK 90 91 100 99 2.3-4.6 4.8=34, 2.9/4878=22...(81) HB3 LYS 115 + HE2 LYS 115 OK 87 98 90 98 2.0-4.9 4.8=33, 3.0/6784=24...(59) HB2 LYS 115 + HE2 LYS 115 OK 84 100 85 98 3.6-5.3 4.8=33, 3.0/6774=24...(60) HB3 LYS 17 + HE3 LYS 17 OK 82 83 100 99 2.6-4.7 2863/2.9=54, 1.8/2892=42...(17) HB2 LYS 65 + HE2 LYS 65 OK 71 89 80 99 3.2-5.3 4.8=34, 2.9/4868=22...(81) * HB2 LYS 115 + HE3 LYS 115 OK 69 100 70 98 3.1-5.0 4.8=33, 3.0/6774=24...(60) HB2 LYS 65 + HE3 LYS 65 OK 53 89 60 99 3.3-5.1 4.8=34, 2.9/4868=22...(81) HB VAL 104 - HE3 LYS 94 poor 12 53 45 50 2.8-9.5 2.1/10234=30...(4) HB ILE 15 - HE2 LYS 16 lone 7 84 75 11 3.5-6.6 77/7.4=9 HB ILE 15 - HE3 LYS 16 lone 6 84 70 11 4.0-6.5 77/7.4=9 HB3 LYS 17 - HE2 LYS 16 far 0 98 0 - 6.4-10.4 HB ILE 15 - HE3 LYS 17 far 0 67 0 - 6.7-10.5 HB3 LYS 17 - HE3 LYS 16 far 0 98 0 - 7.0-10.0 HB VAL 104 - HE3 LYS 65 far 0 56 0 - 7.7-15.4 HB3 LYS 115 - HE3 LYS 17 far 0 83 0 - 8.0-13.4 HB2 LEU 81 - HE3 LYS 115 far 0 94 0 - 8.3-13.6 HB2 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.3-12.2 HB3 LYS 17 - HE3 LYS 115 far 0 98 0 - 8.3-14.8 HB VAL 104 - HE2 LYS 65 far 0 56 0 - 8.5-15.7 HB2 LEU 81 - HE2 LYS 115 far 0 94 0 - 8.9-13.4 HB3 LYS 17 - HE2 LYS 115 far 0 98 0 - 9.2-14.9 HB2 LEU 81 - HE3 LYS 94 far 0 81 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 6782 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 9 out of 26 assignments used, quality = 1.00: * HB3 LYS 115 + HE3 LYS 115 OK 93 100 95 98 2.0-5.0 4.8=33, 3.0/6784=24...(59) HB3 LYS 65 + HE2 LYS 65 OK 93 93 100 99 1.9-4.6 4.8=34, 2.9/4868=22...(81) HB3 LYS 65 + HE3 LYS 65 OK 93 93 100 99 2.3-4.6 4.8=34, 2.9/4868=22...(81) HB3 LYS 115 + HE2 LYS 115 OK 88 100 90 98 2.0-4.9 4.8=33, 3.0/6784=24...(59) HB2 LYS 115 + HE2 LYS 115 OK 82 98 85 98 3.6-5.3 4.8=33, 3.0/6774=24...(60) HB2 LYS 65 + HE2 LYS 65 OK 74 93 80 99 3.2-5.3 4.8=34, 2.9/4868=22...(81) HB3 LYS 17 + HE3 LYS 17 OK 69 70 100 98 2.6-4.7 1.8/2892=42, 2863/2.9=42...(17) HB2 LYS 115 + HE3 LYS 115 OK 68 98 70 98 3.1-5.0 4.8=33, 3.0/6774=24...(60) HB2 LYS 65 + HE3 LYS 65 OK 56 93 60 99 3.3-5.1 4.8=34, 2.9/4868=22...(81) HB VAL 104 - HE3 LYS 94 poor 17 73 45 52 2.8-9.5 2.1/10234=30...(5) HB ILE 15 - HE2 LYS 16 lone 3 61 75 7 3.5-6.6 77/7.4=7 HB ILE 15 - HE3 LYS 16 lone 3 61 70 7 4.0-6.5 77/7.4=7 HB3 LYS 17 - HE2 LYS 16 far 0 87 0 - 6.4-10.4 HB ILE 15 - HE3 LYS 17 far 0 47 0 - 6.7-10.5 HB3 LYS 17 - HE3 LYS 16 far 0 87 0 - 7.0-10.0 HB VAL 104 - HE3 LYS 65 far 0 76 0 - 7.7-15.4 HB3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.0-13.4 HB2 LEU 81 - HE3 LYS 115 far 0 77 0 - 8.3-13.6 HB2 LYS 115 - HE3 LYS 17 far 0 83 0 - 8.3-12.2 HB3 LYS 17 - HE3 LYS 115 far 0 87 0 - 8.3-14.8 HB VAL 104 - HE2 LYS 65 far 0 76 0 - 8.5-15.7 HB VAL 29 - HE2 LYS 16 far 0 61 0 - 8.6-13.8 HB2 LEU 81 - HE2 LYS 115 far 0 77 0 - 8.9-13.4 HB3 LYS 17 - HE2 LYS 115 far 0 87 0 - 9.2-14.9 HB2 LEU 81 - HE3 LYS 94 far 0 64 0 - 9.3-14.5 HB VAL 29 - HE3 LYS 16 far 0 61 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 6783 from cnoeabs.peaks (1.56, 2.91, 41.78 ppm; 3.09 A): 4 out of 12 assignments used, quality = 1.00: HG2 LYS 115 + HE2 LYS 115 OK 98 100 100 98 2.1-4.2 3.7=58, 1.8/6784=27...(61) * HG2 LYS 115 + HE3 LYS 115 OK 98 100 100 98 2.3-4.2 3.7=58, 1.8/6784=27...(61) HG2 LYS 65 + HE3 LYS 65 OK 75 76 100 98 2.2-4.2 3.7=58, 1.8/4868=24...(63) HG2 LYS 65 + HE2 LYS 65 OK 75 76 100 98 2.8-4.1 3.7=58, 1.8/4868=24...(63) HG3 LYS 96 - HE3 LYS 65 poor 17 84 20 - 3.6-10.2 HD3 LYS 106 - HE3 LYS 94 lone 4 90 40 10 2.2-6.6 10227/10234=7 HD2 LYS 106 - HE3 LYS 94 lone 2 90 45 4 2.5-6.5 HG3 LYS 96 - HE2 LYS 65 far 0 84 0 - 4.7-9.9 HG2 LYS 115 - HE3 LYS 17 far 0 87 0 - 7.9-13.9 HG3 LYS 96 - HE3 LYS 94 far 0 81 0 - 8.1-12.2 HB3 LEU 70 - HE2 LYS 65 far 0 84 0 - 8.9-13.3 HB3 LEU 70 - HE3 LYS 65 far 0 84 0 - 9.3-14.5 Violated in 1 structures by 0.00 A. Peak 6784 from cnoeabs.peaks (1.30, 2.91, 41.78 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.2-3.7 3.7=94, 1.8/6773=24...(73) * HG3 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.1-3.9 3.7=94, 1.8/6783=24...(73) HB3 LEU 80 - HE3 LYS 94 far 0 73 0 - 6.6-12.7 HB3 LEU 80 - HE3 LYS 65 far 0 76 0 - 7.1-14.6 HB3 LEU 80 - HE2 LYS 65 far 0 76 0 - 8.2-15.4 HG3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. Peak 6785 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 19 assignments used, quality = 1.00: HD2 LYS 115 + HE2 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) * HD2 LYS 115 + HE3 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD3 LYS 115 + HE2 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD3 LYS 115 + HE3 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 65 + HE2 LYS 65 OK 87 93 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD2 LYS 65 + HE3 LYS 65 OK 87 93 100 94 2.4-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE2 LYS 65 OK 85 91 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE3 LYS 65 OK 85 91 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HG LEU 114 - HE3 LYS 17 far 8 84 10 - 2.3-6.6 HG3 ARG 95 - HE3 LYS 94 far 5 50 10 - 3.5-10.1 HG LEU 90 - HE3 LYS 94 far 3 57 5 - 4.0-9.5 HG LEU 114 - HE3 LYS 115 far 0 99 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 99 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 5.5-9.8 HD2 LYS 115 - HE3 LYS 17 far 0 87 0 - 6.1-15.0 HD3 LYS 115 - HE3 LYS 17 far 0 86 0 - 6.4-14.4 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 6.5-10.4 HG3 ARG 95 - HE2 LYS 65 far 0 52 0 - 7.7-17.7 HG3 ARG 95 - HE3 LYS 65 far 0 52 0 - 8.3-17.4 Violated in 0 structures by 0.00 A. Peak 6786 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 18 assignments used, quality = 1.00: HD3 LYS 115 + HE2 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) * HD3 LYS 115 + HE3 LYS 115 OK 90 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 115 + HE2 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 115 + HE3 LYS 115 OK 89 100 100 90 2.3-3.0 3.0=60, 2.9/6784=13...(35) HD2 LYS 65 + HE2 LYS 65 OK 85 91 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD2 LYS 65 + HE3 LYS 65 OK 85 91 100 94 2.4-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE2 LYS 65 OK 81 86 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HD3 LYS 65 + HE3 LYS 65 OK 81 86 100 94 2.3-3.0 3.0=59, 4848/3.7=12...(64) HG LEU 114 - HE3 LYS 17 far 8 79 10 - 2.3-6.6 HG3 ARG 95 - HE3 LYS 94 far 6 60 10 - 3.5-10.1 HG LEU 114 - HE3 LYS 115 far 0 96 0 - 5.1-11.3 HG LEU 114 - HE2 LYS 115 far 0 96 0 - 5.3-11.5 HG LEU 64 - HE3 LYS 65 far 0 60 0 - 5.5-9.8 HD2 LYS 115 - HE3 LYS 17 far 0 86 0 - 6.1-15.0 HD3 LYS 115 - HE3 LYS 17 far 0 87 0 - 6.4-14.4 HG LEU 64 - HE2 LYS 65 far 0 60 0 - 6.5-10.4 HG3 ARG 95 - HE2 LYS 65 far 0 63 0 - 7.7-17.7 HG3 ARG 95 - HE3 LYS 65 far 0 63 0 - 8.3-17.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB ILE 116 + HA ILE 116 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 82 - HA ILE 116 far 0 94 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 6793 from cnoeabs.peaks (1.58, 3.46, 64.12 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 116 + HA ILE 116 OK 100 100 100 100 2.5-3.9 4.0=100 HG2 LYS 123 - HA ILE 116 far 0 94 0 - 7.5-11.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 6795 from cnoeabs.peaks (0.68, 3.46, 64.12 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 116 + HA ILE 116 OK 100 100 100 100 1.9-3.9 4.1=100 QD2 LEU 114 - HA ILE 116 far 0 92 0 - 6.8-8.6 QD1 LEU 55 - HA ILE 116 far 0 99 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 6796 from cnoeabs.peaks (8.00, 1.63, 36.32 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HB ILE 116 OK 100 100 100 100 2.4-3.1 1761=100, 1763/6812=75...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 6800 from cnoeabs.peaks (1.58, 1.63, 36.32 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 116 + HB ILE 116 OK 100 100 100 100 2.3-2.7 2.9=100 HG LEU 82 - HB ILE 116 far 0 81 0 - 8.2-9.8 HG2 LYS 123 - HB ILE 116 far 0 94 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 6802 from cnoeabs.peaks (0.68, 1.63, 36.32 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 116 + HB ILE 116 OK 100 100 100 100 2.1-3.2 3.2=100 QD2 LEU 114 - HB ILE 116 far 0 92 0 - 5.9-7.8 QD1 LEU 55 - HB ILE 116 far 0 99 0 - 8.0-10.2 QG2 ILE 97 - HB ILE 116 far 0 100 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 6805 from cnoeabs.peaks (1.63, 0.04, 18.11 ppm; 3.61 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 116 + QG2 ILE 116 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 82 - QG2 ILE 116 far 0 94 0 - 5.9-7.8 HB ILE 5 - QG2 ILE 116 far 0 73 0 - 8.0-9.3 HG LEU 90 - QG2 ILE 116 far 0 94 0 - 8.4-10.8 HD3 LYS 77 - QG2 ILE 116 far 0 97 0 - 9.1-11.9 HD2 LYS 77 - QG2 ILE 116 far 0 98 0 - 9.7-11.9 HG LEU 64 - QG2 ILE 116 far 0 87 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG12 ILE 116 + QG2 ILE 116 OK 100 100 100 100 2.2-3.2 3.2=100 HG2 LYS 123 - QG2 ILE 116 far 0 94 0 - 6.3-9.6 HG LEU 82 - QG2 ILE 116 far 0 81 0 - 6.3-7.8 HG LEU 55 - QG2 ILE 116 far 0 65 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 6808 from cnoeabs.peaks (0.97, 0.04, 18.11 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 116 + QG2 ILE 116 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 3 - QG2 ILE 116 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 6809 from cnoeabs.peaks (0.68, 0.04, 18.11 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 116 + QG2 ILE 116 OK 100 100 100 100 1.8-2.5 3.0=100 QD2 LEU 114 - QG2 ILE 116 far 0 92 0 - 6.6-8.1 QG2 ILE 97 - QG2 ILE 116 far 0 100 0 - 7.1-8.8 QD1 LEU 55 - QG2 ILE 116 far 0 99 0 - 7.3-9.1 QD1 ILE 56 - QG2 ILE 116 far 0 61 0 - 9.7-12.7 QG2 ILE 56 - QG2 ILE 116 far 0 81 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 6810 from cnoeabs.peaks (8.00, 1.58, 28.89 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HG12 ILE 116 OK 100 100 100 100 1.8-3.5 1763=100, 1761/6812=81...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 6812 from cnoeabs.peaks (1.63, 1.58, 28.89 ppm; 2.51 A): 1 out of 3 assignments used, quality = 0.84: * HB ILE 116 + HG12 ILE 116 OK 84 100 100 84 2.3-2.7 2.9=65, 1761/1763=28...(6) HB2 LEU 82 - HG12 ILE 116 far 0 94 0 - 7.3-10.4 HG LEU 90 - HG12 ILE 116 far 0 94 0 - 9.9-13.0 Violated in 8 structures by 0.04 A. 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 100 100 100 100 2.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 6816 from cnoeabs.peaks (0.68, 1.58, 28.89 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 116 + HG12 ILE 116 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 114 - HG12 ILE 116 far 0 92 0 - 6.2-8.1 QD1 LEU 55 - HG12 ILE 116 far 0 99 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 6817 from cnoeabs.peaks (8.00, 0.97, 28.89 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 116 + HG13 ILE 116 OK 100 100 100 100 1.7-3.8 1764=100, 1763/1.8=93...(13) H SER 72 - HD3 LYS 2 far 0 41 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 6819 from cnoeabs.peaks (1.63, 0.97, 28.89 ppm; 3.53 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 116 + HG13 ILE 116 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 82 - HG13 ILE 116 far 0 94 0 - 7.3-9.3 HB3 LEU 127 - HD3 LYS 2 far 0 47 0 - 7.7-13.0 HD2 LYS 77 - HD3 LYS 2 far 0 74 0 - 8.4-13.6 HG LEU 90 - HG13 ILE 116 far 0 94 0 - 8.6-12.6 HD3 LYS 77 - HD3 LYS 2 far 0 73 0 - 8.9-13.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 6821 from cnoeabs.peaks (1.58, 0.97, 28.89 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 116 + HG13 ILE 116 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 44 - HD3 LYS 2 far 0 78 0 - 6.8-15.5 HG LEU 82 - HG13 ILE 116 far 0 81 0 - 8.4-10.5 HG2 LYS 123 - HG13 ILE 116 far 0 94 0 - 9.7-14.2 HB3 LEU 70 - HD3 LYS 2 far 0 56 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 116 + HG13 ILE 116 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 4 + HD3 LYS 2 OK 24 78 60 52 2.4-5.9 ~9469=26, ~11235=15...(6) QD2 LEU 114 - HG13 ILE 116 far 0 92 0 - 6.3-9.3 QD1 ILE 56 - HD3 LYS 2 far 0 41 0 - 6.9-10.4 QG2 ILE 56 - HD3 LYS 2 far 0 56 0 - 7.3-12.3 QD1 LEU 55 - HD3 LYS 2 far 0 77 0 - 9.0-12.0 QD1 LEU 55 - HG13 ILE 116 far 0 99 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 6824 from cnoeabs.peaks (8.00, 0.68, 13.41 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + QD1 ILE 116 OK 100 100 100 100 2.1-3.5 1765=100, 1763/2.1=92...(24) Violated in 0 structures by 0.00 A. Peak 6825 from cnoeabs.peaks (3.46, 0.68, 13.41 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + QD1 ILE 116 OK 100 100 100 100 1.9-3.9 4.1=95, 3.0/1765=67...(16) Violated in 0 structures by 0.00 A. Peak 6826 from cnoeabs.peaks (1.63, 0.68, 13.41 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 116 + QD1 ILE 116 OK 100 100 100 100 2.1-3.2 3.2=100 HB2 LEU 82 - QD1 ILE 116 far 0 94 0 - 5.7-9.7 HG LEU 90 - QD1 ILE 116 far 0 94 0 - 7.2-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 6828 from cnoeabs.peaks (1.58, 0.68, 13.41 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 116 + QD1 ILE 116 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 82 - QD1 ILE 116 far 0 81 0 - 6.8-9.8 HG2 LYS 123 - QD1 ILE 116 far 0 94 0 - 7.9-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H VAL 117 + HA VAL 117 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 113 - HA VAL 117 far 0 100 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6834 from cnoeabs.peaks (0.86, 3.26, 67.50 ppm; 3.36 A): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 117 + HA VAL 117 OK 100 100 100 100 2.6-2.7 3.2=100 HG13 ILE 5 - HA VAL 117 far 0 61 0 - 5.4-7.7 QG2 VAL 22 - HA VAL 117 far 0 90 0 - 6.9-9.5 QD1 LEU 14 - HA VAL 117 far 0 98 0 - 7.1-8.2 QG2 THR 9 - HA VAL 117 far 0 100 0 - 7.5-9.6 QG2 VAL 107 - HA VAL 117 far 0 100 0 - 7.5-9.0 QG2 VAL 104 - HA VAL 117 far 0 61 0 - 8.0-10.5 HG13 ILE 57 - HA VAL 117 far 0 98 0 - 9.4-12.3 QG2 ILE 15 - HA VAL 117 far 0 65 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 6835 from cnoeabs.peaks (0.72, 3.26, 67.50 ppm; 3.44 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 117 + HA VAL 117 OK 100 100 100 100 2.0-2.2 3.2=100 QD2 LEU 81 + HA VAL 117 OK 66 77 100 85 3.4-4.1 ~11639=23, 1770/3.0=22...(18) QG2 ILE 18 - HA VAL 117 poor 20 100 20 - 4.3-6.6 HG13 ILE 18 - HA VAL 117 far 0 96 0 - 5.5-7.3 QD2 LEU 55 - HA VAL 117 far 0 77 0 - 5.9-8.1 QD1 LEU 6 - HA VAL 117 far 0 98 0 - 8.0-8.9 QD1 ILE 57 - HA VAL 117 far 0 81 0 - 8.6-10.5 QD2 LEU 6 - HA VAL 117 far 0 81 0 - 9.3-9.9 QG2 VAL 78 - HA VAL 117 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 6836 from cnoeabs.peaks (8.12, 2.05, 30.75 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + HB VAL 117 OK 100 100 100 100 2.9-3.0 1768=100, 6841/2.1=76...(6) H ALA 113 - HB VAL 117 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6838 from cnoeabs.peaks (2.05, 2.05, 30.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 117 + HB VAL 117 OK 100 100 - 100 Peak 6839 from cnoeabs.peaks (0.86, 2.05, 30.75 ppm; 3.36 A): 1 out of 10 assignments used, quality = 1.00: * QG2 VAL 117 + HB VAL 117 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 22 - HB VAL 117 far 0 90 0 - 4.9-7.4 HG13 ILE 5 - HB VAL 117 far 0 61 0 - 5.9-8.4 QD1 LEU 14 - HB VAL 117 far 0 98 0 - 6.0-7.2 QG2 VAL 22 - HB2 GLN 28 far 0 21 0 - 6.1-7.8 HG13 ILE 57 - HB2 GLN 28 far 0 25 0 - 7.2-10.1 QG2 THR 9 - HB VAL 117 far 0 100 0 - 7.2-9.3 QG2 VAL 107 - HB VAL 117 far 0 100 0 - 8.1-9.1 HG13 ILE 57 - HB VAL 117 far 0 98 0 - 8.7-11.3 QG2 ILE 15 - HB VAL 117 far 0 65 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 6840 from cnoeabs.peaks (0.72, 2.05, 30.75 ppm; 3.21 A): 4 out of 11 assignments used, quality = 1.00: * QG1 VAL 117 + HB VAL 117 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 18 + HB VAL 117 OK 73 100 85 86 2.3-4.8 ~10524=24, 2920/10506=23...(20) HG13 ILE 18 + HB VAL 117 OK 71 96 85 87 3.4-5.1 ~10524=33, ~10520=31...(17) QD2 LEU 81 + HB VAL 117 OK 60 77 100 78 3.8-4.2 ~11639=28, 1770/1768=20...(11) QD2 LEU 55 - HB VAL 117 far 0 77 0 - 4.8-6.5 QD2 LEU 45 - HB2 GLN 28 far 0 26 0 - 6.7-8.2 QD1 ILE 57 - HB VAL 117 far 0 81 0 - 7.6-9.4 QG2 ILE 18 - HB2 GLN 28 far 0 26 0 - 8.7-10.4 QD1 LEU 6 - HB VAL 117 far 0 98 0 - 8.9-10.0 QG1 VAL 117 - HB2 GLN 28 far 0 26 0 - 9.6-11.5 QG2 VAL 78 - HB2 GLN 28 far 0 26 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 6841 from cnoeabs.peaks (8.12, 0.86, 23.99 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 117 + QG2 VAL 117 OK 98 100 100 98 1.8-1.9 1768/2.1=68, 4.0=47...(13) H ALA 113 - QG2 VAL 117 far 0 100 0 - 5.5-5.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.7 3.2=100 Violated in 0 structures by 0.00 A. Peak 6843 from cnoeabs.peaks (2.05, 0.86, 23.99 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 117 + QG2 VAL 117 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 13 - QG2 VAL 117 far 0 70 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. 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): 4 out of 9 assignments used, quality = 1.00: * QG1 VAL 117 + QG2 VAL 117 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 18 + QG2 VAL 117 OK 71 100 100 71 1.9-3.8 2920/10524=31...(15) HG13 ILE 18 + QG2 VAL 117 OK 70 96 100 74 2.0-3.3 2.1/10524=38...(12) QD2 LEU 81 + QG2 VAL 117 OK 57 77 100 73 1.7-1.8 2.1/11639=28...(15) QD2 LEU 55 - QG2 VAL 117 far 0 77 0 - 4.5-5.7 QD1 ILE 57 - QG2 VAL 117 far 0 81 0 - 6.0-7.5 QD1 LEU 6 - QG2 VAL 117 far 0 98 0 - 6.6-7.5 QD2 LEU 6 - QG2 VAL 117 far 0 81 0 - 8.0-9.0 QG2 VAL 78 - QG2 VAL 117 far 0 99 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 6846 from cnoeabs.peaks (8.12, 0.72, 21.31 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + QG1 VAL 117 OK 100 100 100 100 3.6-3.7 1768/2.1=89, 4.0=86...(10) H ALA 113 - QG1 VAL 117 far 0 100 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 6848 from cnoeabs.peaks (2.05, 0.72, 21.31 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 117 + QG1 VAL 117 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 28 - QG1 VAL 117 far 0 77 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 6849 from cnoeabs.peaks (0.86, 0.72, 21.31 ppm; 2.60 A): 1 out of 10 assignments used, quality = 1.00: * QG2 VAL 117 + QG1 VAL 117 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 22 - QG1 VAL 117 far 9 90 10 - 4.0-6.1 HG13 ILE 5 - QG1 VAL 117 far 3 61 5 - 3.4-5.6 QG2 THR 9 - QG1 VAL 117 far 0 100 0 - 5.1-7.0 QD1 LEU 14 - QG1 VAL 117 far 0 98 0 - 5.2-6.3 HG13 ILE 57 - QG1 VAL 117 far 0 98 0 - 5.7-8.0 QG2 ILE 15 - QG1 VAL 117 far 0 65 0 - 6.3-8.4 QG2 VAL 107 - QG1 VAL 117 far 0 100 0 - 7.2-8.2 QG2 VAL 104 - QG1 VAL 117 far 0 61 0 - 7.6-9.3 QD2 LEU 90 - QG1 VAL 117 far 0 70 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H ARG 118 + HA ARG 118 OK 100 100 100 100 2.7-2.7 2.9=100 H VAL 22 - HA ARG 118 far 0 90 0 - 6.3-8.5 H GLY 26 - HA ARG 118 far 0 98 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ARG 118 + HA ARG 118 OK 100 100 100 100 2.3-2.5 3.0=100 HG12 ILE 5 - HA ARG 118 far 0 96 0 - 6.1-9.2 HG2 ARG 105 - HA ARG 118 far 0 98 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 6854 from cnoeabs.peaks (1.87, 3.89, 60.17 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 118 + HA ARG 118 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 20 - HA ARG 118 far 0 61 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 6855 from cnoeabs.peaks (1.73, 3.89, 60.17 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 118 + HA ARG 118 OK 100 100 100 100 2.7-3.9 3.9=89, 1.8/6856=71...(11) HB2 LEU 114 - HA ARG 118 far 0 98 0 - 7.4-9.4 HD3 LYS 123 - HA ARG 118 far 0 61 0 - 9.2-10.5 Violated in 10 structures by 0.03 A. Peak 6856 from cnoeabs.peaks (1.48, 3.89, 60.17 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 118 + HA ARG 118 OK 100 100 100 100 2.4-3.8 3.9=99, 1.8/6855=78...(12) HD2 LYS 53 - HA ARG 118 far 0 100 0 - 9.4-14.9 HG3 LYS 20 - HA ARG 118 far 0 97 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-5.5 5.0=100 Violated in 0 structures by 0.00 A. Peak 6858 from cnoeabs.peaks (2.97, 3.89, 60.17 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 118 + HA ARG 118 OK 100 100 100 100 2.0-5.5 5.0=100 HB3 ASN 24 - HA ARG 118 far 10 99 10 - 7.4-11.9 HB2 ASN 24 - HA ARG 118 lone 1 99 30 2 6.7-12.6 Violated in 0 structures by 0.00 A. Peak 6859 from cnoeabs.peaks (8.03, 1.80, 29.70 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 118 + HB2 ARG 118 OK 100 100 100 100 3.5-3.6 4.1=100 H VAL 22 - HB2 ARG 118 far 0 90 0 - 6.9-9.7 H GLY 26 - HB2 ARG 118 far 0 98 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.5 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 ARG 118 + HB2 ARG 118 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 20 - HB2 ARG 118 far 0 61 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 6863 from cnoeabs.peaks (1.73, 1.80, 29.70 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 118 + HB2 ARG 118 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 114 - HB2 ARG 118 far 0 98 0 - 7.3-9.3 HD3 LYS 123 - HB2 ARG 118 far 0 61 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 6864 from cnoeabs.peaks (1.48, 1.80, 29.70 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 118 + HB2 ARG 118 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 LYS 20 - HB2 ARG 118 far 0 97 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 6866 from cnoeabs.peaks (2.97, 1.80, 29.70 ppm; 5.62 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 118 + HB2 ARG 118 OK 100 100 100 100 2.1-3.7 3.7=100 HB2 ASN 24 - HB2 ARG 118 poor 20 99 20 - 6.0-13.1 HB3 ASN 24 - HB2 ARG 118 far 15 99 15 - 6.9-11.9 HE2 LYS 20 - HB2 ARG 118 far 0 97 0 - 9.7-16.7 Violated in 0 structures by 0.00 A. Peak 6867 from cnoeabs.peaks (8.03, 1.87, 29.70 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 118 + HB3 ARG 118 OK 100 100 100 100 2.2-2.8 4.1=100 H VAL 22 - HB3 ARG 118 far 0 90 0 - 6.7-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6869 from cnoeabs.peaks (1.80, 1.87, 29.70 ppm; 2.95 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 118 + HB3 ARG 118 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 5 - HB3 ARG 118 far 0 96 0 - 8.7-11.9 HG2 ARG 105 - HB3 ARG 118 far 0 98 0 - 9.1-10.4 HB3 ARG 105 - HB3 ARG 118 far 0 70 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 ARG 118 + HB3 ARG 118 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LEU 114 - HB3 ARG 118 far 0 98 0 - 5.8-8.5 HD3 LYS 123 - HB3 ARG 118 far 0 61 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 6872 from cnoeabs.peaks (1.48, 1.87, 29.70 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 118 + HB3 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 20 - HB3 ARG 118 far 0 97 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 6874 from cnoeabs.peaks (2.97, 1.87, 29.70 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 118 + HB3 ARG 118 OK 100 100 100 100 2.5-4.2 3.7=100 HB2 ASN 24 - HB3 ARG 118 far 5 99 5 - 6.9-14.6 HB3 ASN 24 - HB3 ARG 118 far 0 99 0 - 7.9-13.5 HE2 LYS 20 - HB3 ARG 118 far 0 97 0 - 9.6-16.8 Violated in 0 structures by 0.00 A. Peak 6875 from cnoeabs.peaks (8.03, 1.73, 28.01 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 118 + HG2 ARG 118 OK 100 100 100 100 1.9-3.0 4.5=91, 1776/1.8=89...(14) H VAL 22 - HG2 ARG 118 far 4 90 5 - 5.7-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 6877 from cnoeabs.peaks (1.80, 1.73, 28.01 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 118 + HG2 ARG 118 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 5 - HG2 ARG 118 far 0 96 0 - 8.1-12.0 HG2 ARG 105 - HG2 ARG 118 far 0 98 0 - 8.3-10.6 HB3 ARG 105 - HG2 ARG 118 far 0 70 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 6878 from cnoeabs.peaks (1.87, 1.73, 28.01 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 118 + HG2 ARG 118 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LYS 20 - HG2 ARG 118 far 0 61 0 - 7.9-15.3 HB3 LYS 20 - HG2 ARG 118 far 0 61 0 - 8.9-13.9 HB2 ARG 105 - HG2 ARG 118 far 0 81 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 ARG 118 + HG2 ARG 118 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 20 - HG2 ARG 118 far 0 97 0 - 7.9-14.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6882 from cnoeabs.peaks (2.97, 1.73, 28.01 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 118 + HG2 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 24 - HG2 ARG 118 far 0 99 0 - 7.4-14.1 HB3 ASN 24 - HG2 ARG 118 far 0 99 0 - 8.0-14.7 HE3 LYS 20 - HG2 ARG 118 far 0 97 0 - 9.1-17.0 HE2 LYS 20 - HG2 ARG 118 far 0 97 0 - 9.5-16.8 Violated in 0 structures by 0.00 A. Peak 6883 from cnoeabs.peaks (8.03, 1.48, 28.01 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 118 + HG3 ARG 118 OK 100 100 100 100 2.4-4.0 4.5=100 H VAL 22 - HG3 ARG 118 lone 0 90 25 1 5.0-10.9 H GLY 26 - HG3 ARG 118 far 0 98 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 6885 from cnoeabs.peaks (1.80, 1.48, 28.01 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 118 + HG3 ARG 118 OK 100 100 100 100 2.3-2.7 3.0=100 HG12 ILE 5 - HG3 ARG 118 far 0 96 0 - 8.0-12.7 HG2 ARG 105 - HG3 ARG 118 far 0 98 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 6886 from cnoeabs.peaks (1.87, 1.48, 28.01 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 118 + HG3 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 20 - HG3 ARG 118 far 0 61 0 - 7.6-15.7 HB3 LYS 20 - HG3 ARG 118 far 0 61 0 - 8.3-14.4 Violated in 0 structures by 0.00 A. Peak 6887 from cnoeabs.peaks (1.73, 1.48, 28.01 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 118 + HG3 ARG 118 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 114 - HG3 ARG 118 far 0 98 0 - 5.4-9.7 HD3 LYS 123 - HG3 ARG 118 far 0 61 0 - 8.4-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6890 from cnoeabs.peaks (2.97, 1.48, 28.01 ppm; 4.57 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 118 + HG3 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASN 24 - HG3 ARG 118 far 5 99 5 - 5.8-13.7 HB3 ASN 24 - HG3 ARG 118 far 0 99 0 - 6.4-14.1 HE3 LYS 20 - HG3 ARG 118 far 0 97 0 - 8.9-17.6 HE2 LYS 20 - HG3 ARG 118 far 0 97 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 6891 from cnoeabs.peaks (8.03, 3.15, 43.76 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 118 + HD2 ARG 118 OK 100 100 100 100 3.3-5.2 1776/3.0=88, 1774/3.7=85...(10) H VAL 22 - HD2 ARG 118 lone 0 90 25 1 5.0-10.8 H GLY 26 - HD2 ARG 118 far 0 98 0 - 8.5-14.5 Violated in 2 structures by 0.01 A. 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 100 100 100 100 2.3-5.5 5.0=100 Violated in 1 structures by 0.00 A. Peak 6893 from cnoeabs.peaks (1.80, 3.15, 43.76 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 118 + HD2 ARG 118 OK 100 100 100 100 2.2-3.8 3.7=100 HG12 ILE 5 - HD2 ARG 118 far 0 96 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 6894 from cnoeabs.peaks (1.87, 3.15, 43.76 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 118 + HD2 ARG 118 OK 100 100 100 100 2.2-4.0 3.7=100 HB2 LYS 20 - HD2 ARG 118 far 0 61 0 - 6.9-14.9 HB3 LYS 20 - HD2 ARG 118 far 0 61 0 - 7.6-13.7 Violated in 0 structures by 0.00 A. Peak 6895 from cnoeabs.peaks (1.73, 3.15, 43.76 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 118 + HD2 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 114 - HD2 ARG 118 far 5 98 5 - 5.3-9.0 Violated in 0 structures by 0.00 A. Peak 6896 from cnoeabs.peaks (1.48, 3.15, 43.76 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 118 + HD2 ARG 118 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 20 - HD2 ARG 118 far 0 97 0 - 6.2-13.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD3 ARG 118 + HD2 ARG 118 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 24 - HD2 ARG 118 far 0 99 0 - 6.2-12.7 HE3 LYS 20 - HD2 ARG 118 far 0 97 0 - 7.1-16.3 HB3 ASN 24 - HD2 ARG 118 far 0 99 0 - 7.1-13.2 HE2 LYS 20 - HD2 ARG 118 far 0 97 0 - 8.1-16.1 Violated in 0 structures by 0.00 A. Peak 6899 from cnoeabs.peaks (8.03, 2.97, 43.76 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 118 + HD3 ARG 118 OK 100 100 100 100 3.1-5.1 1776/3.0=87, 1774/3.7=83...(10) H VAL 22 - HD3 ARG 118 far 13 90 15 - 5.2-11.7 H GLY 26 - HD3 ARG 118 far 0 98 0 - 9.0-14.9 Violated in 7 structures by 0.01 A. 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 100 100 100 100 2.0-5.5 5.0=100 Violated in 0 structures by 0.00 A. Peak 6901 from cnoeabs.peaks (1.80, 2.97, 43.76 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 118 + HD3 ARG 118 OK 100 100 100 100 2.1-3.7 3.7=100 HG12 ILE 5 - HD3 ARG 118 far 0 96 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 6902 from cnoeabs.peaks (1.87, 2.97, 43.76 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 118 + HD3 ARG 118 OK 100 100 100 100 2.5-4.2 3.7=100 HB2 LYS 20 - HD3 ARG 118 far 0 61 0 - 7.5-15.9 HB3 LYS 20 - HD3 ARG 118 far 0 61 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 6903 from cnoeabs.peaks (1.73, 2.97, 43.76 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 118 + HD3 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 114 - HD3 ARG 118 far 0 98 0 - 5.5-9.3 Violated in 0 structures by 0.00 A. Peak 6904 from cnoeabs.peaks (1.48, 2.97, 43.76 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 118 + HD3 ARG 118 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 20 - HD3 ARG 118 far 0 97 0 - 7.3-15.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 119 + HA GLU 119 OK 100 100 100 100 2.7-2.9 3.0=100 H GLU 119 - HA LYS 123 far 0 60 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * HB2 GLU 119 + HA GLU 119 OK 99 100 100 99 3.0-3.0 3.0=82, 3.0/6932=35...(24) HB3 GLU 119 + HA GLU 119 OK 98 100 100 99 2.3-2.7 3.0=82, 3.0/6932=35...(25) HB3 GLU 92 + HA GLU 92 OK 48 49 100 100 2.5-3.0 3.0=82, 1.8/5854=41...(39) HB2 GLU 91 - HA GLU 92 poor 15 52 40 73 3.9-4.7 7764/3.0=32, ~7765=19...(10) HG2 GLU 41 - HA LYS 40 far 0 66 0 - 5.6-7.5 HB3 GLU 47 - HA LYS 40 far 0 91 0 - 5.9-7.1 HB3 GLU 119 - HA LYS 123 far 0 59 0 - 6.1-7.0 HB2 GLU 119 - HA LYS 123 far 0 60 0 - 7.2-8.4 HB2 LEU 38 - HA LYS 40 far 0 95 0 - 8.0-8.3 HG3 GLU 21 - HA GLU 119 far 0 84 0 - 9.4-12.2 HB2 GLU 21 - HA GLU 119 far 0 100 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 6910 from cnoeabs.peaks (2.11, 4.03, 59.53 ppm; 2.80 A): 3 out of 11 assignments used, quality = 1.00: * HB3 GLU 119 + HA GLU 119 OK 99 100 100 99 2.3-2.7 3.0=82, 3.0/6932=35...(25) HB2 GLU 119 + HA GLU 119 OK 98 100 100 99 3.0-3.0 3.0=82, 3.0/6932=35...(24) HB3 GLU 92 + HA GLU 92 OK 53 53 100 100 2.5-3.0 3.0=82, 1.8/5854=41...(39) HB2 GLU 91 - HA GLU 92 poor 19 47 40 - 3.9-4.7 HG2 GLU 41 - HA LYS 40 far 0 55 0 - 5.6-7.5 HB3 GLU 47 - HA LYS 40 far 0 94 0 - 5.9-7.1 HB3 GLU 119 - HA LYS 123 far 0 60 0 - 6.1-7.0 HB2 GLU 119 - HA LYS 123 far 0 59 0 - 7.2-8.4 HB2 LEU 38 - HA LYS 40 far 0 96 0 - 8.0-8.3 HG3 GLU 21 - HA GLU 119 far 0 92 0 - 9.4-12.2 HB2 GLU 21 - HA GLU 119 far 0 100 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 6911 from cnoeabs.peaks (2.08, 4.03, 59.53 ppm; 2.81 A): 2 out of 11 assignments used, quality = 0.97: * HG2 GLU 119 + HA GLU 119 OK 96 100 100 96 2.3-2.9 1.8/6932=49, 6926=40...(14) HB3 GLU 91 + HA GLU 92 OK 26 53 65 76 3.9-4.6 7765/3.0=34, ~7764=19...(11) HB3 MET 121 - HA GLU 119 far 0 100 0 - 4.7-6.9 HB2 LYS 94 - HA GLU 92 far 0 55 0 - 5.0-6.8 HB3 MET 121 - HA LYS 123 far 0 60 0 - 7.6-8.6 HG2 GLU 119 - HA LYS 123 far 0 60 0 - 8.2-9.3 HB3 PHE 79 - HA GLU 119 far 0 100 0 - 8.5-9.0 HB2 GLU 103 - HA LYS 123 far 0 48 0 - 8.7-10.8 HB2 GLU 87 - HA GLU 92 far 0 31 0 - 8.9-11.0 HB3 PHE 79 - HA LYS 123 far 0 60 0 - 9.0-9.7 HB3 GLU 66 - HA LYS 40 far 0 63 0 - 9.7-12.8 Violated in 4 structures by 0.00 A. Peak 6912 from cnoeabs.peaks (2.46, 4.03, 59.53 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 119 + HA GLU 119 OK 100 100 100 100 2.5-3.6 6932=100, 1.8/6911=72...(17) HG3 GLU 41 - HA LYS 40 far 0 96 0 - 5.6-7.1 HG3 GLU 119 - HA LYS 123 far 0 60 0 - 7.5-9.7 HG2 GLU 37 - HA LYS 40 far 0 63 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 6913 from cnoeabs.peaks (7.92, 2.12, 28.96 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 119 + HB2 GLU 119 OK 99 100 100 99 2.2-2.7 4.0=56, 1783/3.0=51...(18) H GLU 119 + HB3 GLU 119 OK 98 99 100 99 3.5-3.6 4.0=56, 1783/3.0=51...(18) Violated in 0 structures by 0.00 A. Peak 6914 from cnoeabs.peaks (4.03, 2.12, 28.96 ppm; 2.89 A): 6 out of 12 assignments used, quality = 1.00: * HA GLU 119 + HB2 GLU 119 OK 100 100 100 100 3.0-3.0 3.0=89, 6932/3.0=38...(24) HA GLU 119 + HB3 GLU 119 OK 99 99 100 100 2.3-2.7 3.0=89, 6932/3.0=38...(25) HA GLU 92 + HB3 GLU 92 OK 79 79 100 100 2.5-3.0 3.0=89, 5854/1.8=42...(44) HA GLU 92 + HB2 GLU 91 OK 38 87 60 73 3.9-4.7 3.0/7764=30, ~7765=20...(10) HA PHE 120 + HB2 GLU 119 OK 38 99 60 65 4.0-4.7 3.0/757=19, ~758=10...(12) HA PHE 120 + HB3 GLU 119 OK 35 98 55 65 4.0-4.7 3.0/757=19, ~757=10...(12) HA GLU 87 - HB2 GLU 91 far 0 83 0 - 4.7-6.4 HA LYS 123 - HB3 GLU 119 far 0 99 0 - 6.1-7.0 HA LYS 123 - HB2 GLU 119 far 0 100 0 - 7.2-8.4 HA GLU 87 - HB3 GLU 92 far 0 75 0 - 7.5-10.1 HB2 SER 126 - HB3 GLU 119 far 0 98 0 - 9.3-11.8 HB3 SER 126 - HB3 GLU 119 far 0 99 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. 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): 3 out of 15 assignments used, quality = 1.00: * HG2 GLU 119 + HB2 GLU 119 OK 93 100 100 93 2.5-3.0 3.0=51, 6928/1.8=28...(18) HG2 GLU 119 + HB3 GLU 119 OK 92 99 100 93 2.5-3.0 3.0=51, 6927/1.8=28...(18) HB3 GLU 91 + HB2 GLU 91 OK 85 85 100 100 1.8-1.8 1.8=100 HB2 LYS 94 - HB2 GLU 91 far 0 86 0 - 4.6-6.8 HB3 GLU 91 - HB3 GLU 92 far 0 76 0 - 4.9-6.6 HB2 GLU 87 - HB2 GLU 91 far 0 53 0 - 5.0-6.7 HB2 LYS 94 - HB3 GLU 92 far 0 78 0 - 5.9-8.5 HB3 MET 121 - HB2 GLU 119 far 0 100 0 - 6.4-8.3 HB3 PHE 79 - HB2 GLU 119 far 0 100 0 - 6.6-7.5 HB3 MET 121 - HB3 GLU 119 far 0 99 0 - 6.6-8.7 HB3 PHE 79 - HB3 GLU 119 far 0 99 0 - 7.0-8.3 HB2 GLU 103 - HB3 GLU 119 far 0 88 0 - 8.2-10.8 HB2 GLU 87 - HB3 GLU 92 far 0 47 0 - 8.3-11.9 HB2 GLU 103 - HB2 GLU 119 far 0 90 0 - 8.3-10.5 HB3 GLU 112 - HB2 GLU 119 far 0 97 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 119 + HB3 GLU 119 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6919 from cnoeabs.peaks (7.92, 2.11, 28.96 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 119 + HB3 GLU 119 OK 99 100 100 99 3.5-3.6 4.0=56, 1783/3.0=51...(18) H GLU 119 + HB2 GLU 119 OK 99 99 100 99 2.2-2.7 4.0=56, 1783/3.0=51...(18) Violated in 0 structures by 0.00 A. Peak 6920 from cnoeabs.peaks (4.03, 2.11, 28.96 ppm; 2.89 A): 6 out of 12 assignments used, quality = 1.00: * HA GLU 119 + HB3 GLU 119 OK 100 100 100 100 2.3-2.7 3.0=89, 6932/3.0=38...(24) HA GLU 119 + HB2 GLU 119 OK 99 99 100 100 3.0-3.0 3.0=89, 6932/3.0=38...(24) HA GLU 92 + HB3 GLU 92 OK 90 90 100 100 2.5-3.0 3.0=89, 5854/1.8=42...(44) HA PHE 120 + HB2 GLU 119 OK 38 98 60 65 4.0-4.7 3.0/758=19, ~758=10...(12) HA PHE 120 + HB3 GLU 119 OK 35 99 55 65 4.0-4.7 3.0/758=19, ~757=10...(12) HA GLU 92 + HB2 GLU 91 OK 32 75 60 71 3.9-4.7 3.0/575=22, ~7765=20...(10) HA GLU 87 - HB2 GLU 91 far 0 71 0 - 4.7-6.4 HA LYS 123 - HB3 GLU 119 far 0 100 0 - 6.1-7.0 HA LYS 123 - HB2 GLU 119 far 0 99 0 - 7.2-8.4 HA GLU 87 - HB3 GLU 92 far 0 86 0 - 7.5-10.1 HB2 SER 126 - HB3 GLU 119 far 0 99 0 - 9.3-11.8 HB3 SER 126 - HB3 GLU 119 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. 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): 3 out of 15 assignments used, quality = 1.00: * HG2 GLU 119 + HB3 GLU 119 OK 93 100 100 93 2.5-3.0 3.0=51, 6927/1.8=28...(18) HG2 GLU 119 + HB2 GLU 119 OK 92 99 100 93 2.5-3.0 3.0=51, 6928/1.8=28...(18) HB3 GLU 91 + HB2 GLU 91 OK 72 72 100 100 1.8-1.8 1.8=100 HB2 LYS 94 - HB2 GLU 91 far 0 74 0 - 4.6-6.8 HB3 GLU 91 - HB3 GLU 92 far 0 87 0 - 4.9-6.6 HB2 GLU 87 - HB2 GLU 91 far 0 44 0 - 5.0-6.7 HB2 LYS 94 - HB3 GLU 92 far 0 89 0 - 5.9-8.5 HB3 MET 121 - HB2 GLU 119 far 0 99 0 - 6.4-8.3 HB3 PHE 79 - HB2 GLU 119 far 0 99 0 - 6.6-7.5 HB3 MET 121 - HB3 GLU 119 far 0 100 0 - 6.6-8.7 HB3 PHE 79 - HB3 GLU 119 far 0 100 0 - 7.0-8.3 HB2 GLU 103 - HB3 GLU 119 far 0 90 0 - 8.2-10.8 HB2 GLU 87 - HB3 GLU 92 far 0 56 0 - 8.3-11.9 HB2 GLU 103 - HB2 GLU 119 far 0 88 0 - 8.3-10.5 HB3 GLU 112 - HB2 GLU 119 far 0 96 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 119 + HB2 GLU 119 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6925 from cnoeabs.peaks (7.92, 2.08, 36.01 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HG2 GLU 119 OK 100 100 100 100 1.9-3.2 1783=100, 1784/1.8=86...(16) Violated in 0 structures by 0.00 A. Peak 6926 from cnoeabs.peaks (4.03, 2.08, 36.01 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 119 + HG2 GLU 119 OK 100 100 100 100 2.3-2.9 6932/1.8=84, 4.1=80...(14) HA PHE 120 - HG2 GLU 119 far 0 99 0 - 6.3-6.5 HA LYS 123 - HG2 GLU 119 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 6927 from cnoeabs.peaks (2.12, 2.08, 36.01 ppm; 2.52 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 119 + HG2 GLU 119 OK 95 100 100 95 2.5-3.0 3.0=59, 6933/1.8=28...(19) HB3 GLU 119 + HG2 GLU 119 OK 95 100 100 95 2.5-3.0 3.0=59, 6933/1.8=28...(19) HB2 GLU 21 - HG2 GLU 119 far 0 100 0 - 8.6-12.3 HG3 GLU 21 - HG2 GLU 119 far 0 84 0 - 8.8-11.7 HG2 GLU 21 - HG2 GLU 119 far 0 90 0 - 9.4-12.9 HB VAL 107 - HG2 GLU 119 far 0 100 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 6928 from cnoeabs.peaks (2.11, 2.08, 36.01 ppm; 2.52 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 119 + HG2 GLU 119 OK 95 100 100 95 2.5-3.0 3.0=59, 6934/1.8=28...(19) HB2 GLU 119 + HG2 GLU 119 OK 95 100 100 95 2.5-3.0 3.0=59, 6934/1.8=28...(19) HB2 GLU 21 - HG2 GLU 119 far 0 100 0 - 8.6-12.3 HG3 GLU 21 - HG2 GLU 119 far 0 92 0 - 8.8-11.7 HG2 GLU 21 - HG2 GLU 119 far 0 96 0 - 9.4-12.9 HB VAL 107 - HG2 GLU 119 far 0 100 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 6931 from cnoeabs.peaks (7.92, 2.46, 36.01 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HG3 GLU 119 OK 100 100 100 100 2.0-3.8 1784=100, 1783/1.8=93...(15) Violated in 0 structures by 0.00 A. Peak 6932 from cnoeabs.peaks (4.03, 2.46, 36.01 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 119 + HG3 GLU 119 OK 100 100 100 100 2.5-3.6 6912=84, 6911/1.8=68...(17) HA PHE 120 - HG3 GLU 119 far 0 99 0 - 6.1-6.6 HA LYS 123 - HG3 GLU 119 far 0 100 0 - 7.5-9.7 Violated in 13 structures by 0.08 A. Peak 6933 from cnoeabs.peaks (2.12, 2.46, 36.01 ppm; 2.73 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 119 + HG3 GLU 119 OK 98 100 100 98 2.3-3.0 3.0=75, 6927/1.8=35...(19) HB3 GLU 119 + HG3 GLU 119 OK 98 100 100 98 2.3-3.0 3.0=75, 6927/1.8=35...(19) HB VAL 107 - HG3 GLU 119 far 0 100 0 - 8.4-11.4 HG3 GLU 21 - HG3 GLU 119 far 0 84 0 - 9.0-12.9 HB2 GLU 21 - HG3 GLU 119 far 0 100 0 - 9.2-12.9 HG2 GLU 21 - HG3 GLU 119 far 0 90 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 6934 from cnoeabs.peaks (2.11, 2.46, 36.01 ppm; 2.73 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 119 + HG3 GLU 119 OK 98 100 100 98 2.3-3.0 3.0=75, 6928/1.8=35...(19) HB2 GLU 119 + HG3 GLU 119 OK 98 100 100 98 2.3-3.0 3.0=75, 6928/1.8=35...(19) HB VAL 107 - HG3 GLU 119 far 0 100 0 - 8.4-11.4 HG3 GLU 21 - HG3 GLU 119 far 0 92 0 - 9.0-12.9 HB2 GLU 21 - HG3 GLU 119 far 0 100 0 - 9.2-12.9 HG2 GLU 21 - HG3 GLU 119 far 0 96 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 6935 from cnoeabs.peaks (2.08, 2.46, 36.01 ppm; 2.52 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 119 + HG3 GLU 119 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 121 - HG3 GLU 119 far 0 100 0 - 6.8-9.6 HB3 GLU 112 - HG3 GLU 119 far 0 97 0 - 8.0-11.5 HB3 PHE 79 - HG3 GLU 119 far 0 100 0 - 8.3-10.0 HB2 GLU 112 - HG3 GLU 119 far 0 96 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6943 from cnoeabs.peaks (7.13, 4.02, 56.87 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.98: * QE PHE 120 + HA PHE 120 OK 98 98 100 100 4.3-4.5 2.2/4558=100, 5.6=68...(7) Violated in 0 structures by 0.00 A. Peak 6944 from cnoeabs.peaks (6.79, 4.02, 56.87 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 120 + HA PHE 120 OK 100 100 100 100 1.9-2.2 4558=100, 4700/3.0=41...(11) QD TYR 27 - HA PHE 120 far 0 100 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 6946 from cnoeabs.peaks (4.02, 3.22, 36.75 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: * HA PHE 120 + HB2 PHE 120 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 119 + HB2 PHE 120 OK 82 99 90 92 5.8-6.6 3.6/1787=78, 6978/2.4=30...(8) HA LYS 123 - HB2 PHE 120 far 0 100 0 - 7.2-8.4 HB2 SER 126 - HB2 PHE 120 far 0 100 0 - 9.9-12.9 HB3 SER 126 - HB2 PHE 120 far 0 96 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 6952 from cnoeabs.peaks (6.79, 3.22, 36.75 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 120 + HB2 PHE 120 OK 100 100 100 100 2.3-2.8 2.4=100 QD TYR 27 - HB2 PHE 120 far 0 100 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 6954 from cnoeabs.peaks (4.02, 2.34, 36.75 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * HA PHE 120 + HB3 PHE 120 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 119 - HB3 PHE 120 far 10 99 10 - 5.9-6.6 HA LYS 123 - HB3 PHE 120 far 0 100 0 - 7.2-7.9 HB2 SER 126 - HB3 PHE 120 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD PHE 120 + HB3 PHE 120 OK 100 100 100 100 2.3-2.8 2.4=100 QD TYR 27 - HB3 PHE 120 far 0 100 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.73: * QD PHE 120 + QE PHE 120 OK 73 73 100 100 2.2-2.2 2.2=100 QD TYR 27 - QE PHE 120 far 0 73 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 6977 from cnoeabs.peaks (8.83, 6.79, 129.60 ppm; 5.87 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 120 + QD PHE 120 OK 100 100 100 100 2.6-3.2 4.5=100 H LYS 106 - QD PHE 120 far 0 60 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 6978 from cnoeabs.peaks (4.02, 6.79, 129.60 ppm; 3.89 A): 2 out of 5 assignments used, quality = 1.00: * HA PHE 120 + QD PHE 120 OK 100 100 100 100 1.9-2.2 3.7=100 HA GLU 119 + QD PHE 120 OK 51 98 75 69 4.9-5.6 3.6/4700=48, 6946/2.4=20...(6) HA LYS 123 - QD PHE 120 far 0 99 0 - 6.4-6.9 HB2 SER 126 - QD PHE 120 far 0 100 0 - 9.1-11.5 HB3 SER 126 - QD PHE 120 far 0 95 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. Peak 6980 from cnoeabs.peaks (2.34, 6.79, 129.60 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 120 + QD PHE 120 OK 100 100 100 100 2.3-2.8 2.4=100 HG3 GLU 112 - QD PHE 120 far 0 98 0 - 9.2-12.9 HG2 GLU 112 - QD PHE 120 far 0 97 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. 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 97 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6988 from cnoeabs.peaks (2.08, 3.93, 59.78 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 121 + HA MET 121 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 79 - HA MET 121 far 0 100 0 - 6.3-7.7 HG2 GLU 119 - HA MET 121 far 0 100 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 6989 from cnoeabs.peaks (1.92, 3.93, 59.78 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HG2 MET 121 + HA MET 121 OK 100 100 100 100 2.2-2.9 4.1=74, 3.4/7021=54...(14) HB3 LYS 123 - HA MET 121 far 0 100 0 - 5.4-6.1 HB2 LYS 123 - HA MET 121 far 0 70 0 - 5.8-7.4 HB2 GLU 128 - HA MET 121 far 0 73 0 - 7.4-10.6 HB2 LEU 127 - HA MET 121 far 0 73 0 - 8.6-9.6 HB2 LEU 81 - HA MET 121 far 0 100 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 6990 from cnoeabs.peaks (2.63, 3.93, 59.78 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 121 + HA MET 121 OK 100 100 100 100 2.3-3.6 4.1=100 HE2 LYS 53 - HA MET 121 far 15 100 15 - 5.4-11.7 Violated in 0 structures by 0.00 A. Peak 6991 from cnoeabs.peaks (1.83, 3.93, 59.78 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * QE MET 121 + HA MET 121 OK 100 100 100 100 2.6-4.1 7021=100, 7023/3.0=66...(10) HD2 LYS 123 - HA MET 121 far 0 84 0 - 7.6-8.5 HB3 LYS 77 - HA MET 121 far 0 90 0 - 8.5-9.8 HB2 LYS 77 - HA MET 121 far 0 84 0 - 9.9-10.9 Violated in 3 structures by 0.02 A. 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 100 100 100 100 2.9-3.6 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 MET 121 + HB2 MET 121 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 119 - HB2 MET 121 far 0 100 0 - 7.1-8.7 HB3 PHE 79 - HB2 MET 121 far 0 100 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 6996 from cnoeabs.peaks (1.92, 2.29, 33.64 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * HG2 MET 121 + HB2 MET 121 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 123 - HB2 MET 121 far 0 70 0 - 7.0-8.9 HB3 LYS 123 - HB2 MET 121 far 0 100 0 - 7.3-7.8 HB2 GLU 128 - HB2 MET 121 far 0 73 0 - 8.2-11.6 HB2 LEU 81 - HB2 MET 121 far 0 100 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 6997 from cnoeabs.peaks (2.63, 2.29, 33.64 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 121 + HB2 MET 121 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 53 - HB2 MET 121 far 10 100 10 - 5.5-11.7 Violated in 0 structures by 0.00 A. Peak 6998 from cnoeabs.peaks (1.83, 2.29, 33.64 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * QE MET 121 + HB2 MET 121 OK 100 100 100 100 1.8-3.7 7022=100, 7023/1.8=93...(7) HD2 LYS 123 - HB2 MET 121 far 0 84 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.5 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG2 MET 121 + HB3 MET 121 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 123 - HB3 MET 121 far 0 70 0 - 6.5-9.3 HB3 LYS 123 - HB3 MET 121 far 0 100 0 - 7.0-7.8 HB2 LEU 81 - HB3 MET 121 far 0 100 0 - 8.5-10.8 HB3 LYS 115 - HB3 MET 121 far 0 70 0 - 9.4-11.4 HB2 GLU 128 - HB3 MET 121 far 0 73 0 - 9.7-13.0 HB2 LYS 115 - HB3 MET 121 far 0 90 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 7004 from cnoeabs.peaks (2.63, 2.08, 33.64 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 121 + HB3 MET 121 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 53 - HB3 MET 121 far 5 100 5 - 5.9-13.3 Violated in 0 structures by 0.00 A. Peak 7005 from cnoeabs.peaks (1.83, 2.08, 33.64 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * QE MET 121 + HB3 MET 121 OK 100 100 100 100 1.8-3.2 4.3=100 HD2 LYS 123 - HB3 MET 121 far 0 84 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.3 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.9 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7009 from cnoeabs.peaks (2.08, 1.92, 31.22 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HB3 MET 121 + HG2 MET 121 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 79 - HG2 MET 121 far 0 100 0 - 6.7-9.6 HG2 GLU 119 - HG2 MET 121 far 0 100 0 - 7.4-10.1 HB2 GLN 28 - HG2 MET 121 far 0 77 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 MET 121 + HG2 MET 121 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 53 - HG2 MET 121 far 0 100 0 - 6.1-12.8 Violated in 0 structures by 0.00 A. Peak 7012 from cnoeabs.peaks (1.83, 1.92, 31.22 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * QE MET 121 + HG2 MET 121 OK 100 100 100 100 2.1-3.4 3.4=100 HB ILE 18 - HG2 MET 121 far 0 94 0 - 8.5-12.1 HD2 LYS 123 - HG2 MET 121 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 7013 from cnoeabs.peaks (8.32, 2.63, 31.22 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HG3 MET 121 OK 100 100 100 100 1.9-4.1 1798=100, 1795/3.0=78...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.6 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7016 from cnoeabs.peaks (2.08, 2.63, 31.22 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 MET 121 + HG3 MET 121 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 119 - HG3 MET 121 far 0 100 0 - 5.9-10.2 HB3 PHE 79 - HG3 MET 121 far 0 100 0 - 6.6-9.4 HB2 GLN 28 - HG3 MET 121 far 0 77 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 7017 from cnoeabs.peaks (1.92, 2.63, 31.22 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * HG2 MET 121 + HG3 MET 121 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 123 - HG3 MET 121 far 0 70 0 - 7.4-9.7 HB2 LEU 81 - HG3 MET 121 far 0 100 0 - 7.5-10.4 HB3 LYS 123 - HG3 MET 121 far 0 100 0 - 7.5-9.3 HB3 LYS 115 - HG3 MET 121 far 0 70 0 - 8.6-12.4 HB2 LYS 115 - HG3 MET 121 far 0 90 0 - 9.0-12.9 HB2 GLU 128 - HG3 MET 121 far 0 73 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QE MET 121 + HG3 MET 121 OK 100 100 100 100 2.2-3.4 3.4=100 HB ILE 18 - HG3 MET 121 far 0 94 0 - 8.5-11.3 HD2 LYS 123 - HG3 MET 121 far 0 84 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 7020 from cnoeabs.peaks (8.32, 1.83, 16.54 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + QE MET 121 OK 100 100 100 100 2.1-4.6 1799=100, 2.9/7021=82...(16) Violated in 2 structures by 0.00 A. Peak 7021 from cnoeabs.peaks (3.93, 1.83, 16.54 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.99: * HA MET 121 + QE MET 121 OK 99 100 100 99 2.6-4.1 6991=74, 3.0/7023=56...(10) Violated in 18 structures by 0.21 A. Peak 7022 from cnoeabs.peaks (2.29, 1.83, 16.54 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + QE MET 121 OK 100 100 100 100 1.8-3.7 1.8/7023=81, 6998=70...(7) Violated in 0 structures by 0.00 A. Peak 7023 from cnoeabs.peaks (2.08, 1.83, 16.54 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.98: * HB3 MET 121 + QE MET 121 OK 98 100 100 98 1.8-3.2 1.8/7022=64, 4.3=53...(9) HB3 PHE 79 - QE MET 121 far 0 100 0 - 5.8-9.8 HG2 GLU 119 - QE MET 121 far 0 100 0 - 6.0-8.9 HB2 GLN 28 - QE MET 121 far 0 77 0 - 6.9-12.1 HB2 GLU 103 - QE MET 121 far 0 92 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 7024 from cnoeabs.peaks (1.92, 1.83, 16.54 ppm; 3.59 A): 1 out of 9 assignments used, quality = 1.00: * HG2 MET 121 + QE MET 121 OK 100 100 100 100 2.1-3.4 3.4=100 HB2 LEU 81 - QE MET 121 far 0 100 0 - 6.0-10.7 HB2 GLU 128 - QE MET 121 far 0 73 0 - 6.6-12.7 HB2 LYS 123 - QE MET 121 far 0 70 0 - 6.9-9.9 HB3 LYS 123 - QE MET 121 far 0 100 0 - 7.1-8.5 HB3 LYS 115 - QE MET 121 far 0 70 0 - 7.2-11.0 HB2 LYS 115 - QE MET 121 far 0 90 0 - 7.6-11.7 HB2 LEU 127 - QE MET 121 far 0 73 0 - 8.4-11.8 HB3 LYS 17 - QE MET 121 far 0 99 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 7025 from cnoeabs.peaks (2.63, 1.83, 16.54 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 121 + QE MET 121 OK 100 100 100 100 2.2-3.4 3.4=100 HE2 LYS 53 - QE MET 121 far 15 100 15 - 3.6-10.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 122 + HA GLN 122 OK 100 100 100 100 2.8-2.9 3.0=100 H HIS 131 - HA GLN 122 far 0 99 0 - 8.3-16.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 3.0=100 * HB2 GLN 122 + HA GLN 122 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 3.0=100 HB2 GLN 122 + HA GLN 122 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7031 from cnoeabs.peaks (2.41, 4.13, 58.74 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 122 + HA GLN 122 OK 100 100 100 100 2.8-3.9 3.9=87, 7051/3.0=53...(12) Violated in 11 structures by 0.02 A. Peak 7032 from cnoeabs.peaks (2.52, 4.13, 58.74 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + HA GLN 122 OK 100 100 100 100 2.7-3.8 3.9=100 HG3 GLN 25 - HA GLN 122 poor 20 100 20 - 5.1-10.1 Violated in 0 structures by 0.00 A. Peak 7035 from cnoeabs.peaks (8.05, 2.24, 28.02 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 122 + HB2 GLN 122 OK 98 100 100 98 2.7-2.9 4.0=64, 7051/3.0=45...(10) H GLN 122 + HB3 GLN 122 OK 97 100 100 97 3.5-3.6 4.0=64, 7051/3.0=45...(10) H HIS 131 - HB3 GLN 122 far 0 99 0 - 8.8-18.1 H HIS 131 - HB2 GLN 122 far 0 99 0 - 9.8-18.2 Violated in 0 structures by 0.00 A. Peak 7036 from cnoeabs.peaks (4.13, 2.24, 28.02 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: HA GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.3-2.4 3.0=100 * HA GLN 122 + HB2 GLN 122 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 124 - HB2 GLN 122 far 0 94 0 - 7.3-7.6 HA ALA 124 - HB3 GLN 122 far 0 94 0 - 7.9-8.1 HA VAL 22 - HB2 GLN 122 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. 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 + HB2 GLN 122 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7040 from cnoeabs.peaks (2.52, 2.24, 28.02 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 122 + HB2 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 25 - HB3 GLN 122 far 0 100 0 - 7.0-11.2 HG3 GLN 25 - HB2 GLN 122 far 0 100 0 - 7.2-11.6 Violated in 0 structures by 0.00 A. Peak 7043 from cnoeabs.peaks (8.05, 2.24, 28.02 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: H GLN 122 + HB2 GLN 122 OK 98 100 100 98 2.7-2.9 4.0=64, 7051/3.0=45...(10) * H GLN 122 + HB3 GLN 122 OK 97 100 100 97 3.5-3.6 4.0=64, 7051/3.0=45...(10) H HIS 131 - HB3 GLN 122 far 0 99 0 - 8.8-18.1 H HIS 131 - HB2 GLN 122 far 0 99 0 - 9.8-18.2 Violated in 0 structures by 0.00 A. Peak 7044 from cnoeabs.peaks (4.13, 2.24, 28.02 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.3-2.4 3.0=100 HA GLN 122 + HB2 GLN 122 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 124 - HB2 GLN 122 far 0 94 0 - 7.3-7.6 HA ALA 124 - HB3 GLN 122 far 0 94 0 - 7.9-8.1 HA VAL 22 - HB2 GLN 122 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. 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 + HB2 GLN 122 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7048 from cnoeabs.peaks (2.52, 2.24, 28.02 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLN 122 + HB2 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 25 - HB3 GLN 122 far 0 100 0 - 7.0-11.2 HG3 GLN 25 - HB2 GLN 122 far 0 100 0 - 7.2-11.6 Violated in 0 structures by 0.00 A. Peak 7051 from cnoeabs.peaks (8.05, 2.41, 33.53 ppm; 3.92 A): 1 out of 7 assignments used, quality = 1.00: * H GLN 122 + HG2 GLN 122 OK 100 100 100 100 1.8-3.1 1804=97, 7059/1.8=73...(10) H LYS 65 - HG3 GLN 62 far 5 49 10 - 5.4-7.4 H LYS 65 - HG2 GLN 62 far 0 47 0 - 5.7-6.6 H ASP 109 - HG2 GLN 85 far 0 48 0 - 5.8-9.4 H ASP 109 - HG3 GLN 85 far 0 48 0 - 6.3-9.4 H LEU 90 - HG3 GLN 85 far 0 78 0 - 7.7-10.0 H LEU 90 - HG2 GLN 85 far 0 78 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 7052 from cnoeabs.peaks (4.13, 2.41, 33.53 ppm; 3.43 A): 3 out of 6 assignments used, quality = 1.00: * HA GLN 122 + HG2 GLN 122 OK 99 100 100 99 2.8-3.9 7031=80, 3.0/7051=46...(12) HA LEU 63 + HG3 GLN 62 OK 59 76 95 81 3.2-6.5 2.9/381=13, ~7608=13...(17) HA LEU 63 + HG2 GLN 62 OK 50 73 85 81 3.3-6.1 2.9/381=13, ~7608=13...(16) HA VAL 22 - HG2 GLN 122 far 0 100 0 - 7.5-10.8 HA ALA 124 - HG2 GLN 122 far 0 94 0 - 8.5-9.5 HA GLU 89 - HG3 GLN 85 far 0 67 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 7053 from cnoeabs.peaks (2.24, 2.41, 33.53 ppm; 2.76 A): 2 out of 2 assignments used, quality = 0.99: * HB2 GLN 122 + HG2 GLN 122 OK 92 100 100 92 2.2-3.0 3.0=78, 3.0/7031=30...(7) HB3 GLN 122 + HG2 GLN 122 OK 91 100 100 91 2.6-3.0 3.0=78, 3.0/7031=30...(7) Violated in 0 structures by 0.00 A. Peak 7054 from cnoeabs.peaks (2.24, 2.41, 33.53 ppm; 2.76 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 122 + HG2 GLN 122 OK 92 100 100 92 2.2-3.0 3.0=78, 3.0/7031=30...(7) * HB3 GLN 122 + HG2 GLN 122 OK 91 100 100 91 2.6-3.0 3.0=78, 3.0/7031=30...(7) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 GLN 122 + HG2 GLN 122 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 25 - HG2 GLN 122 far 0 100 0 - 4.9-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.7 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 7059 from cnoeabs.peaks (8.05, 2.52, 33.53 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 122 + HG3 GLN 122 OK 100 100 100 100 1.9-3.5 1805=99, 7051/1.8=77...(10) H VAL 22 - HG3 GLN 25 poor 18 59 30 - 4.2-9.2 H GLN 122 - HG3 GLN 25 far 5 92 5 - 5.3-9.1 Violated in 0 structures by 0.00 A. Peak 7060 from cnoeabs.peaks (4.13, 2.52, 33.53 ppm; 3.63 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.7-3.8 3.9=83, 7031/1.8=71...(12) HA VAL 22 + HG3 GLN 25 OK 56 91 65 94 1.9-6.7 11450/3.0=58...(6) HA GLN 122 - HG3 GLN 25 far 5 92 5 - 5.1-10.1 HA3 GLY 26 - HG3 GLN 25 far 0 83 0 - 5.5-7.3 HA VAL 22 - HG3 GLN 122 far 0 100 0 - 8.0-10.0 HA ALA 124 - HG3 GLN 122 far 0 94 0 - 8.6-9.7 HA ALA 124 - HG3 GLN 25 far 0 83 0 - 9.3-14.1 Violated in 3 structures by 0.01 A. Peak 7061 from cnoeabs.peaks (2.24, 2.52, 33.53 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.0-11.2 HB2 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.2-11.6 Violated in 0 structures by 0.00 A. Peak 7062 from cnoeabs.peaks (2.24, 2.52, 33.53 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.0-11.2 HB2 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.2-11.6 Violated in 0 structures by 0.00 A. Peak 7063 from cnoeabs.peaks (2.41, 2.52, 33.53 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 122 + HG3 GLN 122 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 122 - HG3 GLN 25 far 0 92 0 - 4.9-9.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE21 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.4-4.0 3.5=100 HE21 GLN 122 - HG3 GLN 25 lone 1 92 25 2 3.9-10.5 1.7/1025=1 Violated in 0 structures by 0.00 A. Peak 7066 from cnoeabs.peaks (6.83, 2.52, 33.53 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-3.7 3.5=100 HE22 GLN 122 - HG3 GLN 25 lone 1 92 40 3 4.8-9.6 1025=1 Violated in 0 structures by 0.00 A. Peak 7067 from cnoeabs.peaks (8.40, 4.03, 59.24 ppm; 4.68 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 123 + HA LYS 123 OK 100 100 100 100 2.7-2.7 3.0=100 H MET 67 + HA GLU 66 OK 91 91 100 100 3.5-3.6 3.6=100 H LYS 123 + HA GLU 119 OK 53 60 100 88 3.9-4.5 7934/10605=38, 1809=31...(11) Violated in 0 structures by 0.00 A. 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): 2 out of 19 assignments used, quality = 1.00: * HB2 LYS 123 + HA LYS 123 OK 100 100 100 100 2.4-2.7 2.9=88, 7083/7073=38...(33) HB2 LYS 65 + HA GLU 66 OK 54 95 75 75 4.1-5.5 7623/2.9=22, 7078=15...(12) HB3 LYS 65 - HA GLU 66 poor 19 95 20 - 4.0-5.3 HB3 LYS 17 - HA GLU 13 far 3 58 5 - 4.2-6.3 HB2 LYS 123 - HA GLU 119 far 0 60 0 - 4.5-7.2 HB2 LEU 70 - HA GLU 66 far 0 88 0 - 4.6-7.9 HB ILE 15 - HA GLU 13 far 0 38 0 - 5.0-5.6 HG2 MET 121 - HA GLU 119 far 0 35 0 - 6.2-8.2 HB3 LYS 115 - HA GLU 119 far 0 60 0 - 6.9-8.9 HB2 LEU 127 - HA LYS 123 far 0 100 0 - 7.0-8.9 HB2 LYS 115 - HA GLU 119 far 0 56 0 - 7.4-9.3 HB3 MET 42 - HA GLU 66 far 0 65 0 - 7.7-9.1 HB2 LYS 39 - HA GLU 66 far 0 95 0 - 8.3-11.7 HB2 GLU 41 - HA GLU 66 far 0 65 0 - 8.8-11.2 HB3 GLU 41 - HA GLU 66 far 0 69 0 - 9.0-10.7 HG2 MET 121 - HA LYS 123 far 0 70 0 - 9.1-9.5 HB2 LEU 81 - HA GLU 119 far 0 39 0 - 9.3-11.3 HB3 LYS 39 - HA GLU 66 far 0 72 0 - 9.4-11.6 HB VAL 104 - HA GLU 92 far 0 76 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7070 from cnoeabs.peaks (1.91, 4.03, 59.24 ppm; 2.88 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 123 + HA LYS 123 OK 100 100 100 100 2.9-3.0 2.9=97, 7093/7073=41...(36) HB2 ARG 95 + HA GLU 92 OK 32 60 80 68 3.5-5.4 1.8/8203=35, 3.9/2159=22...(7) HB3 LYS 65 - HA GLU 66 poor 17 54 45 72 4.0-5.3 401/2.9=13, ~402=12...(12) HB3 LYS 17 - HA GLU 13 far 3 66 5 - 4.2-6.3 HB ILE 15 - HA GLU 13 far 0 74 0 - 5.0-5.6 HB3 LYS 123 - HA GLU 119 far 0 60 0 - 6.1-6.8 HG2 MET 121 - HA GLU 119 far 0 59 0 - 6.2-8.2 HB2 LYS 96 - HA GLU 92 far 0 73 0 - 6.6-8.0 HB2 LEU 127 - HA LYS 123 far 0 61 0 - 7.0-8.9 HB2 LYS 115 - HA GLU 119 far 0 42 0 - 7.4-9.3 HB ILE 71 - HA GLU 66 far 0 58 0 - 7.5-10.3 HB2 GLU 128 - HA LYS 123 far 0 84 0 - 8.2-10.8 HG2 MET 121 - HA LYS 123 far 0 100 0 - 9.1-9.5 HB2 LEU 81 - HA GLU 119 far 0 57 0 - 9.3-11.3 HB2 LYS 73 - HA GLU 66 far 0 54 0 - 9.4-11.7 HB2 LYS 96 - HA GLU 66 far 0 75 0 - 9.8-11.4 Violated in 15 structures by 0.03 A. Peak 7071 from cnoeabs.peaks (1.57, 4.03, 59.24 ppm; 3.90 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 123 + HA LYS 123 OK 100 100 100 100 3.1-3.7 3.9=100 HG2 LYS 123 - HA GLU 119 poor 18 60 30 - 4.2-8.2 HG3 LYS 96 - HA GLU 92 poor 6 90 30 22 4.5-7.3 7513/2159=10, 5.1/4883=9...(4) HB3 LEU 70 - HA GLU 66 far 5 92 5 - 5.4-7.5 HG2 LYS 115 - HA GLU 119 far 0 42 0 - 6.6-9.9 HG LEU 68 - HA GLU 66 far 0 75 0 - 7.0-7.5 HD3 LYS 106 - HA GLU 92 far 0 73 0 - 7.1-11.6 HD2 LYS 19 - HA GLU 13 far 0 38 0 - 7.1-9.7 HD3 LYS 19 - HA GLU 13 far 0 38 0 - 7.3-10.6 HD2 LYS 106 - HA GLU 92 far 0 70 0 - 8.0-11.8 HG12 ILE 116 - HA GLU 119 far 0 52 0 - 8.1-9.8 HG12 ILE 3 - HA LYS 123 far 0 81 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 7072 from cnoeabs.peaks (1.70, 4.03, 59.24 ppm; 3.34 A): 1 out of 19 assignments used, quality = 1.00: * HG3 LYS 123 + HA LYS 123 OK 100 100 100 100 2.1-2.6 3.9=64, 7122/7073=51...(34) HD3 LYS 16 - HA GLU 13 poor 19 62 35 85 2.2-5.9 2.9/11425=41...(7) HG3 LYS 123 - HA GLU 119 poor 18 60 30 - 4.4-7.5 HD2 LYS 17 - HA GLU 13 poor 16 41 40 - 3.5-6.0 HD2 LYS 16 - HA GLU 13 poor 11 55 20 - 3.7-6.1 HD2 LYS 96 - HA GLU 92 lone 5 56 65 14 3.8-6.3 5.7/4883=5, 1632/2159=5...(4) HD3 LYS 96 - HA GLU 92 lone 5 63 80 9 3.6-5.3 5.7/4883=5, 3.0/7071=2 HD2 LYS 39 - HA GLU 66 far 0 90 0 - 6.9-12.8 HG12 ILE 71 - HA GLU 66 far 0 92 0 - 7.1-8.8 HD3 LYS 39 - HA GLU 66 far 0 91 0 - 7.2-13.2 HG3 LYS 39 - HA GLU 66 far 0 95 0 - 8.0-11.0 HD3 LYS 20 - HA GLU 13 far 0 58 0 - 8.1-10.9 HB3 LYS 106 - HA GLU 92 far 0 63 0 - 8.7-11.8 HD2 LYS 73 - HA GLU 66 far 0 72 0 - 8.8-12.8 HD2 LYS 20 - HA GLU 13 far 0 60 0 - 8.8-12.1 HD3 LYS 73 - HA GLU 66 far 0 69 0 - 8.9-12.0 HD3 LYS 43 - HA GLU 66 far 0 69 0 - 9.5-11.8 HB2 LYS 106 - HA GLU 92 far 0 56 0 - 9.8-12.0 HG LEU 74 - HA GLU 66 far 0 92 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 7073 from cnoeabs.peaks (1.84, 4.03, 59.24 ppm; 3.56 A): 1 out of 10 assignments used, quality = 1.00: * HD2 LYS 123 + HA LYS 123 OK 100 100 100 100 4.1-4.4 7083/2.9=77, 7093/2.9=77...(48) HG LEU 127 - HA LYS 123 poor 15 77 20 - 4.7-6.9 HG LEU 70 - HA GLU 66 lone 1 92 45 3 4.0-6.5 438/7935=3 QE MET 121 - HA GLU 119 far 0 44 0 - 5.2-7.4 HD2 LYS 123 - HA GLU 119 far 0 60 0 - 5.8-7.0 QE MET 121 - HA LYS 123 far 0 84 0 - 7.4-9.5 HB3 LYS 19 - HA GLU 13 far 0 65 0 - 7.5-8.1 HB3 LYS 77 - HA LYS 123 far 0 100 0 - 8.4-10.1 HB2 LYS 77 - HA LYS 123 far 0 100 0 - 9.4-10.3 HB2 ARG 105 - HA GLU 119 far 0 42 0 - 9.5-10.9 Violated in 20 structures by 0.76 A. Peak 7074 from cnoeabs.peaks (1.75, 4.03, 59.24 ppm; 3.53 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 123 + HA LYS 123 OK 100 100 100 100 3.7-4.0 1.8/7073=71, 7130/2.9=64...(48) HG2 LYS 17 + HA GLU 13 OK 29 68 80 52 2.9-6.0 1116/1989=35...(3) HG2 ARG 118 - HA GLU 119 poor 16 30 55 - 3.8-6.5 HB3 LYS 94 - HA GLU 92 far 11 73 15 - 4.8-7.1 HD3 LYS 123 - HA GLU 119 far 0 60 0 - 5.0-6.4 HB2 LEU 68 - HA GLU 66 far 0 95 0 - 5.1-6.3 HG12 ILE 18 - HA GLU 13 far 0 44 0 - 7.1-9.2 HB2 LEU 114 - HA GLU 13 far 0 55 0 - 8.2-11.2 HG3 ARG 105 - HA GLU 119 far 0 58 0 - 9.3-11.5 Violated in 5 structures by 0.05 A. Peak 7077 from cnoeabs.peaks (8.40, 1.93, 32.31 ppm; 4.00 A): 4 out of 8 assignments used, quality = 1.00: * H LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.1-3.6 3.7=100 H MET 67 + HB2 LYS 65 OK 64 98 80 82 4.5-6.0 408/4.7=45, 2089/4.0=43...(4) H MET 67 + HB3 LYS 65 OK 34 97 45 78 5.0-5.9 408/4.7=45, 2089/4.0=43...(4) H ASP 36 + HB2 LYS 39 OK 26 53 55 90 4.8-6.7 3.0/8036=30, ~8039=26...(11) H ASP 36 - HB3 LYS 39 far 0 27 0 - 6.0-7.1 H MET 67 - HB2 LYS 39 far 0 65 0 - 8.3-10.5 H MET 67 - HB3 LYS 39 far 0 33 0 - 9.3-11.2 H ASP 36 - HB3 LYS 40 far 0 57 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 7078 from cnoeabs.peaks (4.03, 1.93, 32.31 ppm; 2.88 A): 6 out of 14 assignments used, quality = 1.00: * HA LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.4-2.7 2.9=97, 7070/1.8=44...(33) HA LYS 40 + HB3 LYS 40 OK 72 73 100 100 2.3-2.5 3.0=88, 3650/1.8=67...(18) HA PHE 120 + HB2 LYS 123 OK 69 100 85 81 2.6-4.5 8297=32, 8299/1.8=30...(9) HA GLU 66 + HB2 LYS 65 OK 62 100 75 83 4.1-5.5 7069=35, 2.9/7623=23...(12) HA GLU 66 + HB3 LYS 65 OK 39 100 50 79 4.0-5.3 7069/1.8=24, 2.9/7623=23...(12) HA LYS 40 + HB3 LYS 39 OK 27 35 95 81 3.8-4.4 3651=35, 3.0/1252=14...(17) HA LYS 40 - HB2 LYS 39 far 3 68 5 - 4.3-5.6 HA GLU 119 - HB2 LYS 123 far 0 100 0 - 4.5-7.2 HB2 SER 126 - HB2 LYS 123 far 0 100 0 - 4.5-7.9 HB3 SER 126 - HB2 LYS 123 far 0 99 0 - 5.0-7.7 HA GLU 119 - HB3 LYS 115 far 0 94 0 - 6.9-8.9 HA GLU 119 - HB2 LYS 115 far 0 87 0 - 7.4-9.3 HA GLU 66 - HB2 LYS 39 far 0 69 0 - 8.3-11.7 HA GLU 66 - HB3 LYS 39 far 0 36 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 7079 from cnoeabs.peaks (1.93, 1.93, 32.31 ppm; diagonal): 8 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 29 assignments used, quality = 1.00: * HB3 LYS 123 + HB2 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 115 + HB3 LYS 115 OK 72 72 100 100 1.8-1.8 1.8=100 HB3 LYS 65 + HB2 LYS 65 OK 61 61 100 100 1.8-1.8 1.8=100 HB3 LYS 44 - HB3 LYS 40 poor 17 66 25 - 1.8-4.8 HB2 LYS 43 - HB3 LYS 40 far 10 68 15 - 3.9-4.4 HB2 LYS 44 - HB3 LYS 40 poor 7 73 30 31 1.8-4.7 3.0/8045=25, 2.9/7081=2...(4) HB2 LYS 43 - HB3 LYS 39 far 2 33 5 - 3.9-4.9 HB3 LYS 43 - HB3 LYS 40 far 0 55 0 - 4.7-5.7 HB2 LYS 43 - HB2 LYS 39 far 0 63 0 - 4.7-6.2 HB3 LYS 43 - HB3 LYS 39 far 0 25 0 - 5.0-6.2 HB2 LYS 96 - HB2 LYS 65 far 0 83 0 - 5.1-8.1 HB2 LYS 96 - HB3 LYS 65 far 0 83 0 - 5.5-7.8 HB3 LYS 43 - HB2 LYS 39 far 0 51 0 - 5.8-7.7 HB3 LYS 44 - HB3 LYS 39 far 0 32 0 - 6.4-9.9 HB2 LYS 44 - HB3 LYS 39 far 0 35 0 - 6.5-9.5 HB2 LEU 127 - HB2 LYS 123 far 0 61 0 - 6.8-10.2 HB3 LYS 44 - HB2 LYS 39 far 0 62 0 - 6.8-10.9 HB2 LYS 49 - HB3 LYS 40 far 0 49 0 - 7.1-15.3 HB2 LYS 44 - HB2 LYS 39 far 0 68 0 - 7.7-10.9 HG2 MET 121 - HB2 LYS 123 far 0 100 0 - 7.8-10.0 HB2 LEU 45 - HB3 LYS 40 far 0 62 0 - 8.0-9.1 HB3 LYS 17 - HB2 LYS 115 far 0 80 0 - 8.8-12.3 HB2 LEU 81 - HB2 LYS 115 far 0 85 0 - 8.9-10.4 HB2 LEU 81 - HB3 LYS 115 far 0 92 0 - 9.0-11.2 HB2 GLU 128 - HB2 LYS 123 far 0 84 0 - 9.1-11.8 HB3 LYS 17 - HB3 LYS 115 far 0 88 0 - 9.1-12.1 HB ILE 71 - HB3 LYS 65 far 0 64 0 - 9.4-12.1 HB2 LEU 81 - HB2 LYS 123 far 0 99 0 - 9.7-12.3 HB ILE 71 - HB2 LYS 65 far 0 65 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 7081 from cnoeabs.peaks (1.57, 1.93, 32.31 ppm; 2.83 A): 3 out of 18 assignments used, quality = 1.00: * HG2 LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.9-3.0 2.9=90, 2.9/7083=52...(39) HG2 LYS 115 + HB3 LYS 115 OK 71 72 100 99 2.6-3.0 3.0=89, 6703/3.0=22...(44) HG2 LYS 115 + HB2 LYS 115 OK 64 64 100 99 2.3-3.0 3.0=89, 6703/3.0=22...(44) HG2 LYS 44 - HB3 LYS 40 poor 18 68 75 36 1.6-4.5 4.2/8045=23, ~6104=4...(8) HG12 ILE 116 - HB2 LYS 115 poor 17 78 40 54 3.4-5.8 1763/4.4=21, ~11193=12...(10) HG12 ILE 116 - HB3 LYS 115 far 0 86 0 - 4.5-6.9 HG LEU 68 - HB3 LYS 65 far 0 83 0 - 5.8-7.0 HG LEU 68 - HB2 LYS 65 far 0 83 0 - 5.9-7.3 HG3 LYS 96 - HB3 LYS 65 far 0 98 0 - 6.4-9.1 HG2 LYS 44 - HB3 LYS 39 far 0 33 0 - 6.4-8.7 HG2 LYS 44 - HB2 LYS 39 far 0 63 0 - 6.6-9.7 HG3 LYS 96 - HB2 LYS 65 far 0 98 0 - 6.8-9.6 HB3 LEU 70 - HB3 LYS 39 far 0 34 0 - 7.1-9.4 HB3 LEU 70 - HB2 LYS 39 far 0 66 0 - 7.4-9.8 HB3 LEU 70 - HB2 LYS 65 far 0 98 0 - 8.8-11.0 HB3 LEU 70 - HB3 LYS 65 far 0 98 0 - 8.9-10.8 HG12 ILE 3 - HB2 LYS 123 far 0 81 0 - 9.3-10.7 HB3 LEU 70 - HB3 LYS 40 far 0 71 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 7082 from cnoeabs.peaks (1.70, 1.93, 32.31 ppm; 2.70 A): 9 out of 31 assignments used, quality = 1.00: * HG3 LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.7-2.7 2.9=77, 7122/7083=51...(36) HG3 LYS 39 + HB2 LYS 39 OK 66 69 100 96 2.3-3.0 2.9=80, 3598/4.0=19...(25) HD3 LYS 39 + HB2 LYS 39 OK 62 65 100 96 2.1-4.2 3.5=45, 1.8/3610=18...(45) HD2 LYS 39 + HB2 LYS 39 OK 60 63 100 96 2.2-4.0 3.5=45, 3621/1.8=16...(45) HD2 LYS 40 + HB3 LYS 40 OK 43 44 100 99 2.0-4.0 3.6=43, 1.8/3711=20...(53) HD3 LYS 40 + HB3 LYS 40 OK 40 41 100 99 2.8-3.7 3.6=43, 1.8/3711=20...(53) HG3 LYS 39 + HB3 LYS 39 OK 34 36 100 96 2.3-3.0 2.9=80, 3598/4.0=19...(25) HD3 LYS 39 + HB3 LYS 39 OK 32 33 100 95 2.1-3.9 3.5=45, 3593/2.9=15...(45) HD2 LYS 39 + HB3 LYS 39 OK 31 33 100 95 2.2-4.0 3.5=45, 3620/1.8=18...(45) HD2 LYS 44 - HB3 LYS 40 poor 16 73 75 29 2.1-6.0 3951/8045=14, 3620=4...(6) HD3 LYS 44 - HB3 LYS 40 poor 16 72 75 29 2.5-6.0 3951/8045=14, 3620=4...(6) HD3 LYS 40 - HB2 LYS 39 poor 10 38 60 42 3.2-6.9 ~3691=6, 3701/1.8=5...(21) HD2 LYS 40 - HB2 LYS 39 far 2 40 5 - 2.7-7.7 HG3 LYS 39 - HB3 LYS 40 far 0 74 0 - 4.5-8.1 HD3 LYS 43 - HB3 LYS 39 far 0 23 0 - 5.0-7.8 HD3 LYS 39 - HB3 LYS 40 far 0 69 0 - 5.4-9.2 HD2 LYS 39 - HB3 LYS 40 far 0 68 0 - 5.7-8.9 HD3 LYS 43 - HB2 LYS 39 far 0 46 0 - 5.9-9.1 HD3 LYS 44 - HB2 LYS 39 far 0 67 0 - 6.9-11.6 HD2 LYS 44 - HB2 LYS 39 far 0 68 0 - 6.9-11.9 HD3 LYS 44 - HB3 LYS 39 far 0 35 0 - 7.1-10.4 HD2 LYS 44 - HB3 LYS 39 far 0 36 0 - 7.4-10.9 HD2 LYS 96 - HB3 LYS 65 far 0 64 0 - 7.4-11.0 HD3 LYS 43 - HB3 LYS 40 far 0 49 0 - 7.8-8.5 HD3 LYS 96 - HB2 LYS 65 far 0 73 0 - 7.8-11.1 HD3 LYS 96 - HB3 LYS 65 far 0 72 0 - 7.9-10.1 HD2 LYS 17 - HB3 LYS 115 far 0 58 0 - 8.3-11.7 HD2 LYS 96 - HB2 LYS 65 far 0 65 0 - 8.5-11.1 HG12 ILE 71 - HB3 LYS 65 far 0 98 0 - 8.6-10.3 HG12 ILE 71 - HB2 LYS 65 far 0 98 0 - 8.7-10.2 HD2 LYS 17 - HB2 LYS 115 far 0 51 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 7083 from cnoeabs.peaks (1.84, 1.93, 32.31 ppm; 2.40 A): 1 out of 14 assignments used, quality = 0.99: * HD2 LYS 123 + HB2 LYS 123 OK 99 100 100 99 2.2-2.5 7120/1.8=43, 1.8/7129=41...(42) HG LEU 127 - HB2 LYS 123 far 0 77 0 - 4.5-8.1 HG LEU 70 - HB2 LYS 39 far 0 66 0 - 6.7-9.9 QE MET 121 - HB2 LYS 123 far 0 84 0 - 6.9-9.9 HG LEU 70 - HB3 LYS 39 far 0 34 0 - 7.0-10.0 QE MET 121 - HB3 LYS 115 far 0 75 0 - 7.2-11.0 HB3 LYS 77 - HB2 LYS 123 far 0 100 0 - 7.5-10.0 QE MET 121 - HB2 LYS 115 far 0 68 0 - 7.6-11.7 HB2 LYS 77 - HB2 LYS 123 far 0 100 0 - 7.9-10.2 HG LEU 70 - HB3 LYS 65 far 0 98 0 - 8.0-11.2 HG LEU 70 - HB2 LYS 65 far 0 98 0 - 8.1-10.7 HB2 ARG 105 - HB2 LYS 115 far 0 64 0 - 8.4-11.7 HB2 ARG 105 - HB3 LYS 115 far 0 72 0 - 9.3-11.6 HB2 ARG 105 - HB2 LYS 123 far 0 81 0 - 9.9-12.0 Violated in 7 structures by 0.01 A. Peak 7084 from cnoeabs.peaks (1.75, 1.93, 32.31 ppm; 2.88 A): 1 out of 16 assignments used, quality = 1.00: * HD3 LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.5-2.8 7129=82, 1.8/7083=80...(40) HG2 ARG 118 - HB3 LYS 115 poor 19 54 55 63 3.4-6.2 ~8264=11, ~8262=11...(11) HB2 LEU 68 - HB3 LYS 65 poor 15 100 25 61 4.2-6.6 8125/3.0=33, ~8127=18...(8) HB2 LEU 114 - HB2 LYS 115 poor 14 68 20 - 4.1-7.3 HB2 LEU 68 - HB2 LYS 65 far 5 100 5 - 4.2-6.0 HG2 ARG 118 - HB2 LYS 115 far 2 48 5 - 4.0-6.2 HB2 LEU 114 - HB3 LYS 115 far 0 75 0 - 4.5-7.2 HG3 ARG 105 - HB2 LYS 115 far 0 86 0 - 7.6-11.3 HG12 ILE 18 - HB3 LYS 115 far 0 61 0 - 7.7-10.4 HG12 ILE 18 - HB2 LYS 115 far 0 55 0 - 7.9-10.0 HB3 LYS 49 - HB3 LYS 40 far 0 68 0 - 8.0-15.5 HG2 ARG 118 - HB2 LYS 123 far 0 61 0 - 8.4-12.8 HG2 LYS 17 - HB2 LYS 115 far 0 82 0 - 8.4-13.2 HB2 LEU 80 - HB2 LYS 65 far 0 98 0 - 9.0-11.8 HG3 ARG 105 - HB3 LYS 115 far 0 93 0 - 9.3-11.3 HG2 LYS 17 - HB3 LYS 115 far 0 89 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 7085 from cnoeabs.peaks (3.01, 1.93, 32.31 ppm; 4.82 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 123 + HB2 LYS 123 OK 100 100 100 100 4.3-4.6 3.0/7083=99, 3.0/7129=93...(31) HE3 LYS 123 + HB2 LYS 123 OK 99 99 100 100 4.2-4.6 3.0/7083=99, 3.0/7129=93...(31) HE2 LYS 123 - HB2 LYS 115 far 0 88 0 - 9.5-16.5 HE3 LYS 49 - HB3 LYS 40 far 0 73 0 - 9.5-18.4 HE3 LYS 123 - HB2 LYS 115 far 0 86 0 - 9.6-17.0 HE2 LYS 123 - HB3 LYS 115 far 0 95 0 - 9.7-16.5 HE3 LYS 123 - HB3 LYS 115 far 0 93 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 7086 from cnoeabs.peaks (3.01, 1.93, 32.31 ppm; 4.03 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 123 + HB2 LYS 123 OK 100 100 100 100 4.2-4.6 3.0/7083=88, 3.0/7129=77...(31) HE2 LYS 123 + HB2 LYS 123 OK 99 99 100 100 4.3-4.6 3.0/7083=88, 3.0/7129=77...(31) HE2 LYS 123 - HB2 LYS 115 far 0 86 0 - 9.5-16.5 HE3 LYS 49 - HB3 LYS 40 far 0 69 0 - 9.5-18.4 HE3 LYS 123 - HB2 LYS 115 far 0 88 0 - 9.6-17.0 HE2 LYS 123 - HB3 LYS 115 far 0 93 0 - 9.7-16.5 HE3 LYS 123 - HB3 LYS 115 far 0 95 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 7088 from cnoeabs.peaks (4.03, 1.91, 32.31 ppm; 2.84 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 123 + HB3 LYS 123 OK 100 100 100 100 2.9-3.0 2.9=93, 7069/1.8=44...(34) HA PHE 120 + HB3 LYS 123 OK 78 100 100 78 2.8-3.6 8297/1.8=30, 8299=29...(10) HA LYS 40 - HB3 LYS 44 poor 12 60 20 - 2.7-5.7 HA LYS 40 - HB2 LYS 44 far 11 71 15 - 3.0-5.5 HB2 SER 126 - HB3 LYS 123 far 0 100 0 - 5.3-7.6 HB3 SER 126 - HB3 LYS 123 far 0 99 0 - 5.3-7.9 HA GLU 119 - HB3 LYS 123 far 0 100 0 - 6.1-6.8 HA GLU 92 - HB2 LYS 96 far 0 39 0 - 6.6-8.0 HA GLU 119 - HB2 LYS 115 far 0 55 0 - 7.4-9.3 HA LYS 40 - HB2 LYS 49 far 0 46 0 - 8.6-15.7 HA GLU 66 - HB2 LYS 96 far 0 43 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 7089 from cnoeabs.peaks (1.93, 1.91, 32.31 ppm; 2.40 A): 2 out of 27 assignments used, quality = 1.00: * HB2 LYS 123 + HB3 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 115 + HB2 LYS 115 OK 55 55 100 100 1.8-1.8 1.8=100 HB3 LYS 40 - HB2 LYS 44 poor 18 59 30 - 1.8-4.7 HB3 LYS 40 - HB3 LYS 44 poor 12 49 25 - 1.8-4.8 HB2 LYS 65 - HB2 LYS 96 far 0 43 0 - 5.1-8.1 HB3 GLU 41 - HB2 LYS 44 far 0 49 0 - 5.2-7.8 HB3 GLU 52 - HB2 LYS 49 far 0 24 0 - 5.3-12.7 HB2 GLU 41 - HB2 LYS 44 far 0 46 0 - 5.5-7.6 HB3 LYS 65 - HB2 LYS 96 far 0 43 0 - 5.5-7.8 HB3 GLU 41 - HB3 LYS 44 far 0 40 0 - 5.5-7.8 HB2 GLU 41 - HB3 LYS 44 far 0 38 0 - 5.9-7.7 HB3 MET 42 - HB2 LYS 44 far 0 46 0 - 6.3-8.8 HB3 LYS 39 - HB3 LYS 44 far 0 43 0 - 6.4-9.9 HB3 LYS 39 - HB2 LYS 44 far 0 51 0 - 6.5-9.5 HB3 MET 42 - HB3 LYS 44 far 0 38 0 - 6.5-8.7 HB2 LEU 127 - HB3 LYS 123 far 0 100 0 - 6.6-8.7 HB2 LYS 39 - HB3 LYS 44 far 0 61 0 - 6.8-10.9 HB VAL 104 - HB2 LYS 96 far 0 32 0 - 6.9-8.6 HB3 GLU 52 - HB2 LYS 44 far 0 40 0 - 6.9-16.7 HB3 LYS 40 - HB2 LYS 49 far 0 37 0 - 7.1-15.3 HB3 GLU 52 - HB3 LYS 44 far 0 33 0 - 7.4-17.0 HG2 MET 121 - HB3 LYS 123 far 0 70 0 - 7.5-8.9 HB2 LYS 39 - HB2 LYS 44 far 0 72 0 - 7.7-10.9 HB2 LEU 70 - HB3 LYS 44 far 0 55 0 - 8.2-10.7 HB2 LEU 70 - HB2 LYS 44 far 0 65 0 - 8.2-11.7 HB3 LYS 17 - HB2 LYS 115 far 0 42 0 - 8.8-12.3 HB2 LEU 81 - HB2 LYS 115 far 0 36 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 7090 from cnoeabs.peaks (1.91, 1.91, 32.31 ppm; diagonal): 6 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): 5 out of 12 assignments used, quality = 1.00: * HG2 LYS 123 + HB3 LYS 123 OK 100 100 100 100 2.2-2.3 2.9=88, 2.9/7093=52...(42) HG2 LYS 44 + HB2 LYS 44 OK 67 67 100 100 2.6-3.0 2.9=88, 3904/3.0=33...(48) HG2 LYS 44 + HB3 LYS 44 OK 56 56 100 100 2.6-3.0 2.9=88, 3904/3.0=33...(48) HG3 LYS 96 + HB2 LYS 96 OK 41 41 100 100 2.3-2.6 2.9=93, 6076/3.0=31...(38) HG2 LYS 115 + HB2 LYS 115 OK 37 38 100 99 2.3-3.0 3.0=87, 6703/3.0=21...(44) HG12 ILE 116 - HB2 LYS 115 poor 19 47 40 - 3.4-5.8 HG2 LYS 44 - HB2 LYS 49 far 0 43 0 - 6.0-13.9 HG12 ILE 3 - HB3 LYS 123 far 0 81 0 - 8.0-9.2 HG LEU 68 - HB2 LYS 96 far 0 31 0 - 8.8-10.0 HB3 LEU 70 - HB3 LYS 44 far 0 59 0 - 8.9-11.5 HB3 LEU 70 - HB2 LYS 44 far 0 70 0 - 8.9-11.3 HD2 LYS 106 - HB2 LYS 96 far 0 29 0 - 9.1-14.8 Violated in 0 structures by 0.00 A. Peak 7092 from cnoeabs.peaks (1.70, 1.91, 32.31 ppm; 2.66 A): 7 out of 31 assignments used, quality = 1.00: * HG3 LYS 123 + HB3 LYS 123 OK 100 100 100 100 2.9-3.0 2.9=74, 7122/7093=49...(34) HD2 LYS 44 + HB2 LYS 44 OK 71 72 100 99 2.5-3.7 3.7=38, 3954/2.9=23...(80) HD3 LYS 44 + HB3 LYS 44 OK 56 60 95 99 2.3-4.2 3.7=38, 3954/2.9=23...(80) HD3 LYS 44 + HB2 LYS 44 OK 49 71 70 99 2.0-4.2 3.7=38, 3954/2.9=23...(82) HD2 LYS 44 + HB3 LYS 44 OK 48 61 80 99 2.3-4.2 3.7=38, 3954/2.9=23...(78) HD3 LYS 96 + HB2 LYS 96 OK 26 26 100 99 3.5-4.1 3.4=46, ~6097=16...(75) HD2 LYS 96 + HB2 LYS 96 OK 22 22 100 99 3.5-3.8 3.4=46, ~6098=16...(77) HD2 LYS 40 - HB3 LYS 44 far 4 35 10 - 3.8-8.5 HD3 LYS 44 - HB2 LYS 49 far 2 45 5 - 3.4-14.4 HD2 LYS 40 - HB2 LYS 44 far 0 43 0 - 4.2-7.7 HD3 LYS 40 - HB3 LYS 44 far 0 33 0 - 4.3-7.8 HD3 LYS 40 - HB2 LYS 44 far 0 40 0 - 4.3-7.9 HD2 LYS 44 - HB2 LYS 49 far 0 46 0 - 4.9-13.9 HB ILE 54 - HB2 LYS 44 far 0 43 0 - 7.1-11.9 HD2 LYS 39 - HB3 LYS 44 far 0 56 0 - 7.2-12.9 HD2 LYS 39 - HB2 LYS 44 far 0 67 0 - 7.2-11.8 HB ILE 54 - HB3 LYS 44 far 0 35 0 - 7.3-11.9 HG3 LYS 39 - HB3 LYS 44 far 0 61 0 - 7.4-11.8 HG3 LYS 39 - HB2 LYS 44 far 0 72 0 - 7.6-11.6 HD3 LYS 43 - HB3 LYS 44 far 0 40 0 - 7.7-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 49 0 - 7.8-9.0 HD3 LYS 39 - HB3 LYS 44 far 0 58 0 - 8.2-12.8 HG LEU 74 - HB2 LYS 44 far 0 70 0 - 8.3-12.5 HB ILE 56 - HB3 LYS 44 far 0 51 0 - 8.7-12.8 HG LEU 74 - HB3 LYS 44 far 0 59 0 - 8.7-12.3 HD2 LYS 40 - HB2 LYS 49 far 0 26 0 - 8.8-18.3 HB ILE 56 - HB2 LYS 44 far 0 61 0 - 8.9-13.2 HD2 LYS 17 - HB2 LYS 115 far 0 29 0 - 8.9-11.5 HD3 LYS 39 - HB2 LYS 44 far 0 68 0 - 8.9-11.5 HG12 ILE 71 - HB3 LYS 44 far 0 59 0 - 9.4-13.8 HD3 LYS 40 - HB2 LYS 49 far 0 24 0 - 9.5-17.9 Violated in 0 structures by 0.00 A. Peak 7093 from cnoeabs.peaks (1.84, 1.91, 32.31 ppm; 2.40 A): 1 out of 7 assignments used, quality = 0.99: * HD2 LYS 123 + HB3 LYS 123 OK 99 100 100 99 2.7-2.9 7120=50, 1.8/7130=41...(38) HG LEU 127 - HB3 LYS 123 far 0 77 0 - 4.6-6.6 HB3 LYS 77 - HB3 LYS 123 far 0 100 0 - 6.4-8.2 QE MET 121 - HB3 LYS 123 far 0 84 0 - 7.1-8.5 HB2 LYS 77 - HB3 LYS 123 far 0 100 0 - 7.6-8.9 QE MET 121 - HB2 LYS 115 far 0 40 0 - 7.6-11.7 HB2 ARG 105 - HB2 LYS 115 far 0 38 0 - 8.4-11.7 Violated in 20 structures by 0.42 A. Peak 7094 from cnoeabs.peaks (1.75, 1.91, 32.31 ppm; 2.77 A): 2 out of 14 assignments used, quality = 1.00: * HD3 LYS 123 + HB3 LYS 123 OK 100 100 100 100 3.6-3.8 1.8/7093=75, 7130=74...(38) HB3 LYS 49 + HB2 LYS 49 OK 43 43 100 100 1.8-1.8 1.8=100 HB2 LEU 114 - HB2 LYS 115 far 4 40 10 - 4.1-7.3 HG2 ARG 118 - HB2 LYS 115 far 1 27 5 - 4.0-6.2 HB3 LYS 49 - HB2 LYS 44 far 0 67 0 - 5.2-13.3 HB3 LYS 94 - HB2 LYS 96 far 0 31 0 - 6.4-8.3 HB3 LYS 49 - HB3 LYS 44 far 0 56 0 - 6.9-12.9 HB2 LEU 68 - HB2 LYS 96 far 0 43 0 - 7.5-9.0 HG3 ARG 105 - HB2 LYS 115 far 0 53 0 - 7.6-11.3 HG12 ILE 18 - HB2 LYS 115 far 0 31 0 - 7.9-10.0 HB2 LEU 80 - HB2 LYS 96 far 0 41 0 - 8.2-10.0 HG2 LYS 17 - HB2 LYS 115 far 0 50 0 - 8.4-13.2 HB3 LEU 82 - HB2 LYS 96 far 0 32 0 - 8.6-11.1 HG2 ARG 118 - HB3 LYS 123 far 0 61 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 7095 from cnoeabs.peaks (3.01, 1.91, 32.31 ppm; 4.91 A): 4 out of 12 assignments used, quality = 1.00: * HE2 LYS 123 + HB3 LYS 123 OK 100 100 100 100 4.1-5.1 3.0/7093=99, 3.0/7130=95...(28) HE3 LYS 123 + HB3 LYS 123 OK 99 99 100 100 4.0-5.1 3.0/7093=99, 3.0/7130=95...(28) HE3 LYS 49 + HB2 LYS 49 OK 46 46 100 100 3.2-5.4 5.1=88, ~4161=35...(36) HE2 LYS 49 + HB2 LYS 49 OK 46 46 100 100 3.9-5.5 5.1=88, ~4161=35...(36) HB2 PHE 51 - HB2 LYS 49 far 3 32 10 - 3.6-11.1 HE3 LYS 49 - HB2 LYS 44 far 0 72 0 - 7.5-16.3 HE2 LYS 49 - HB2 LYS 44 far 0 72 0 - 8.0-16.4 HE2 LYS 94 - HB2 LYS 96 far 0 40 0 - 8.7-11.5 HE3 LYS 49 - HB3 LYS 44 far 0 61 0 - 9.2-16.0 HE2 LYS 123 - HB2 LYS 115 far 0 55 0 - 9.5-16.5 HE3 LYS 123 - HB2 LYS 115 far 0 53 0 - 9.6-17.0 HE2 LYS 49 - HB3 LYS 44 far 0 61 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 7096 from cnoeabs.peaks (3.01, 1.91, 32.31 ppm; 4.10 A): 4 out of 12 assignments used, quality = 1.00: * HE3 LYS 123 + HB3 LYS 123 OK 100 100 100 100 4.0-5.1 3.0/7093=90, 3.0/7130=79...(28) HE2 LYS 123 + HB3 LYS 123 OK 99 99 100 100 4.1-5.1 3.0/7093=90, 3.0/7130=79...(28) HE3 LYS 49 + HB2 LYS 49 OK 44 44 100 100 3.2-5.4 5.1=51, 3.0/4150=27...(36) HE2 LYS 49 + HB2 LYS 49 OK 44 44 100 100 3.9-5.5 5.1=51, 3.0/4150=27...(36) HB2 PHE 51 - HB2 LYS 49 far 1 24 5 - 3.6-11.1 HE3 LYS 49 - HB2 LYS 44 far 0 68 0 - 7.5-16.3 HE2 LYS 49 - HB2 LYS 44 far 0 68 0 - 8.0-16.4 HE2 LYS 94 - HB2 LYS 96 far 0 35 0 - 8.7-11.5 HE3 LYS 49 - HB3 LYS 44 far 0 58 0 - 9.2-16.0 HE2 LYS 123 - HB2 LYS 115 far 0 53 0 - 9.5-16.5 HE3 LYS 123 - HB2 LYS 115 far 0 55 0 - 9.6-17.0 HE2 LYS 49 - HB3 LYS 44 far 0 58 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 7097 from cnoeabs.peaks (8.40, 1.57, 25.68 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.4-4.6 1812=100, 1813/1.8=93...(21) Violated in 14 structures by 0.09 A. Peak 7098 from cnoeabs.peaks (4.03, 1.57, 25.68 ppm; 4.99 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HG2 LYS 123 OK 100 100 100 100 3.1-3.7 3.9=100 HA PHE 120 + HG2 LYS 123 OK 100 100 100 100 2.0-5.5 8297/2.9=80, 8299/2.9=79...(7) HA GLU 119 - HG2 LYS 123 poor 9 100 30 29 4.2-8.2 1809/1812=19, 7118/2.9=5...(4) HB2 SER 126 - HG2 LYS 123 lone 8 100 60 14 4.7-8.9 785/4.7=7, 7108/1.8=3, ~7108=2 HB3 SER 126 - HG2 LYS 123 lone 7 99 70 11 4.7-9.4 785/4.7=5, ~7108=2, 7108/1.8=2 Violated in 0 structures by 0.00 A. Peak 7099 from cnoeabs.peaks (1.93, 1.57, 25.68 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.9-3.0 2.9=100 HB2 LEU 127 - HG2 LYS 123 far 0 100 0 - 6.8-10.7 HG2 MET 121 - HG2 LYS 123 far 0 70 0 - 7.2-11.1 HB2 LEU 81 - HG2 LYS 123 far 0 77 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 7100 from cnoeabs.peaks (1.91, 1.57, 25.68 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.2-2.3 2.9=100 HB2 LEU 127 - HG2 LYS 123 far 0 61 0 - 6.8-10.7 HG2 MET 121 - HG2 LYS 123 far 0 100 0 - 7.2-11.1 HB2 LEU 81 - HG2 LYS 123 far 0 99 0 - 9.1-14.1 HB2 GLU 128 - HG2 LYS 123 far 0 84 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 7103 from cnoeabs.peaks (1.84, 1.57, 25.68 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.6-2.7 2.9=100 HG LEU 127 - HG2 LYS 123 poor 15 77 20 - 4.5-8.5 QE MET 121 - HG2 LYS 123 far 0 84 0 - 6.4-10.3 HB3 LYS 77 - HG2 LYS 123 far 0 100 0 - 6.7-9.9 HB2 LYS 77 - HG2 LYS 123 far 0 100 0 - 7.5-11.1 HB2 ARG 105 - HG2 LYS 123 far 0 81 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 7104 from cnoeabs.peaks (1.75, 1.57, 25.68 ppm; 2.91 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 123 + HG2 LYS 123 OK 100 100 100 100 3.0-3.0 2.9=97, 7132/1.8=81...(45) HG2 ARG 118 - HG2 LYS 123 far 0 61 0 - 7.9-13.9 HG3 ARG 105 - HG2 LYS 123 far 0 99 0 - 9.1-13.9 Violated in 20 structures by 0.08 A. 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 100 100 100 100 2.1-3.6 3.9=100 HE3 LYS 123 + HG2 LYS 123 OK 99 99 100 100 2.2-3.6 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.9=100 HE2 LYS 123 + HG2 LYS 123 OK 99 99 100 100 2.1-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 7107 from cnoeabs.peaks (8.40, 1.70, 25.68 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.1-4.0 1813=100, 1810/2.9=75...(23) H ASP 36 + HG3 LYS 39 OK 30 53 65 88 3.8-6.4 3.0/9345=26, ~10934=26...(11) H MET 67 - HG3 LYS 39 far 0 64 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 7108 from cnoeabs.peaks (4.03, 1.70, 25.68 ppm; 4.61 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.1-2.6 3.9=100 HA PHE 120 + HG3 LYS 123 OK 99 100 100 99 3.7-5.8 8297/2.9=72, 8299/2.9=71...(7) HA LYS 40 - HG3 LYS 39 poor 20 67 30 98 3.8-6.5 ~222=44, ~7475=43...(16) HA GLU 119 - HG3 LYS 123 poor 12 100 30 39 4.4-7.5 1809/1813=18...(6) HB2 SER 126 - HG3 LYS 123 lone 9 100 75 12 4.3-7.8 785/4.7=6, 7098/1.8=3, ~7098=2 HB3 SER 126 - HG3 LYS 123 lone 7 99 70 9 4.1-8.4 785/4.7=5, 7098/1.8=2, ~7098=2 HA GLU 66 - HG3 LYS 39 far 0 68 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. Peak 7109 from cnoeabs.peaks (1.93, 1.70, 25.68 ppm; 3.33 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.7-2.7 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 68 68 100 100 2.3-3.0 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 48 48 100 100 2.3-3.0 2.9=100 HB3 LYS 40 - HG3 LYS 39 far 3 55 5 - 4.5-8.1 HB2 GLU 41 - HG3 LYS 39 far 0 43 0 - 5.4-9.4 HB3 MET 42 - HG3 LYS 39 far 0 43 0 - 6.9-8.4 HB3 GLU 41 - HG3 LYS 39 far 0 45 0 - 7.1-9.1 HB2 LEU 127 - HG3 LYS 123 far 0 100 0 - 7.6-10.7 HB2 LEU 70 - HG3 LYS 39 far 0 61 0 - 8.3-11.4 HG2 MET 121 - HG3 LYS 123 far 0 70 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 7110 from cnoeabs.peaks (1.91, 1.70, 25.68 ppm; 3.39 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.9-3.0 2.9=100 HB2 LYS 43 - HG3 LYS 39 far 0 63 0 - 5.0-7.3 HB3 LYS 43 - HG3 LYS 39 far 0 50 0 - 6.4-8.7 HB3 LYS 44 - HG3 LYS 39 far 0 61 0 - 7.4-11.8 HB2 LEU 127 - HG3 LYS 123 far 0 61 0 - 7.6-10.7 HB2 LYS 44 - HG3 LYS 39 far 0 67 0 - 7.6-11.6 HG2 MET 121 - HG3 LYS 123 far 0 100 0 - 8.3-11.1 HB2 GLU 128 - HG3 LYS 123 far 0 84 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 7111 from cnoeabs.peaks (1.57, 1.70, 25.68 ppm; 2.83 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 123 + HG3 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 44 - HG3 LYS 39 far 0 63 0 - 6.3-10.6 HB3 LEU 70 - HG3 LYS 39 far 0 65 0 - 8.1-10.8 HG12 ILE 3 - HG3 LYS 123 far 0 81 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HD2 LYS 123 + HG3 LYS 123 OK 100 100 100 100 3.0-3.0 2.9=100 HG LEU 127 - HG3 LYS 123 far 0 77 0 - 5.3-8.5 HG LEU 70 - HG3 LYS 39 far 0 65 0 - 6.9-11.2 QE MET 121 - HG3 LYS 123 far 0 84 0 - 7.4-10.1 HB3 LYS 77 - HG3 LYS 123 far 0 100 0 - 8.3-10.6 HB2 LYS 77 - HG3 LYS 123 far 0 100 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 7114 from cnoeabs.peaks (1.75, 1.70, 25.68 ppm; 2.46 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.3-2.4 7132=100, 1.8/7122=52...(36) HG2 ARG 118 - HG3 LYS 123 far 0 61 0 - 8.4-13.5 HG3 ARG 105 - HG3 LYS 123 far 0 99 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 7115 from cnoeabs.peaks (3.01, 1.70, 25.68 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.6-3.9 3.9=100 HE3 LYS 123 + HG3 LYS 123 OK 99 99 100 100 2.6-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 7116 from cnoeabs.peaks (3.01, 1.70, 25.68 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.6-3.9 3.9=98, 3.0/7132=84...(31) HE2 LYS 123 + HG3 LYS 123 OK 99 99 100 100 2.6-3.9 3.9=98, 3.0/7132=84...(31) Violated in 0 structures by 0.00 A. Peak 7118 from cnoeabs.peaks (4.03, 1.84, 29.29 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HD2 LYS 123 OK 100 100 100 100 4.1-4.4 4.6=100 HA PHE 120 + HD2 LYS 123 OK 100 100 100 100 3.3-4.4 11470=85, 8297/7083=84...(8) HA GLU 119 - HD2 LYS 123 poor 15 100 35 43 5.8-7.0 6978/4704=18...(5) HB2 SER 126 - HD2 LYS 123 far 0 100 0 - 6.7-9.1 HB3 SER 126 - HD2 LYS 123 far 0 99 0 - 6.9-9.0 Violated in 0 structures by 0.00 A. Peak 7119 from cnoeabs.peaks (1.93, 1.84, 29.29 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 123 + HD2 LYS 123 OK 100 100 100 100 2.2-2.5 7083=100, 1.8/7093=91...(44) HB2 LEU 127 - HD2 LYS 123 far 0 100 0 - 8.6-11.3 HB2 LEU 81 - HD2 LYS 123 far 0 77 0 - 9.4-12.3 HG2 MET 121 - HD2 LYS 123 far 0 70 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 7120 from cnoeabs.peaks (1.91, 1.84, 29.29 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 123 + HD2 LYS 123 OK 100 100 100 100 2.7-2.9 7093=100, 1.8/7083=85...(41) HB2 LEU 127 - HD2 LYS 123 far 0 61 0 - 8.6-11.3 HB2 LEU 81 - HD2 LYS 123 far 0 99 0 - 9.4-12.3 HG2 MET 121 - HD2 LYS 123 far 0 100 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 7122 from cnoeabs.peaks (1.70, 1.84, 29.29 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HD2 LYS 123 OK 100 100 100 100 3.0-3.0 2.9=82, 7132/1.8=75...(42) Violated in 20 structures by 0.24 A. 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 4 assignments used, quality = 1.00: * HD3 LYS 123 + HD2 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 105 - HD2 LYS 123 far 0 99 0 - 8.7-11.4 HG2 ARG 118 - HD2 LYS 123 far 0 61 0 - 9.4-12.4 HB2 LEU 80 - HD2 LYS 123 far 0 99 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 123 + HD2 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 123 + HD2 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7128 from cnoeabs.peaks (4.03, 1.75, 29.29 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HD3 LYS 123 OK 100 100 100 100 3.7-4.0 7073/1.8=88, 2.9/7130=81...(48) HA PHE 120 + HD3 LYS 123 OK 98 100 100 98 4.2-5.3 8297/7129=58...(7) HA GLU 119 - HD3 LYS 123 far 15 100 15 - 5.0-6.4 HB2 SER 126 - HD3 LYS 123 far 0 100 0 - 6.2-8.6 HB3 SER 126 - HD3 LYS 123 far 0 99 0 - 6.4-8.8 Violated in 0 structures by 0.00 A. Peak 7129 from cnoeabs.peaks (1.93, 1.75, 29.29 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 123 + HD3 LYS 123 OK 100 100 100 100 2.5-2.8 7083/1.8=86, 7084=75...(40) HB2 LEU 127 - HD3 LYS 123 far 0 100 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 7130 from cnoeabs.peaks (1.91, 1.75, 29.29 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 123 + HD3 LYS 123 OK 100 100 100 100 3.6-3.8 7093/1.8=86, 7094=70...(38) HB2 LEU 127 - HD3 LYS 123 far 0 61 0 - 9.5-11.9 Violated in 20 structures by 0.61 A. 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 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 7132 from cnoeabs.peaks (1.70, 1.75, 29.29 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HD3 LYS 123 OK 100 100 100 100 2.3-2.4 7114=93, 7122/1.8=50...(35) Violated in 0 structures by 0.00 A. Peak 7133 from cnoeabs.peaks (1.84, 1.75, 29.29 ppm; 2.66 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 123 + HD3 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 127 - HD3 LYS 123 far 0 77 0 - 7.2-9.7 QE MET 121 - HD3 LYS 123 far 0 84 0 - 8.5-10.9 HB2 ARG 105 - HD3 LYS 123 far 0 81 0 - 9.3-11.4 HB3 LYS 77 - HD3 LYS 123 far 0 100 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 123 + HD3 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 123 + HD3 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 7139 from cnoeabs.peaks (1.93, 3.01, 41.78 ppm; 4.30 A): 3 out of 17 assignments used, quality = 1.00: * HB2 LYS 123 + HE2 LYS 123 OK 100 100 100 100 4.3-4.6 7083/3.0=93, 7129/3.0=83...(29) HB2 LYS 123 + HE3 LYS 123 OK 99 99 100 100 4.2-4.6 7083/3.0=93, 7129/3.0=83...(29) HB VAL 104 + HE2 LYS 94 OK 28 79 50 71 4.1-9.0 ~10234=48, ~11307=27...(5) HB2 LEU 81 - HE2 LYS 123 far 0 77 0 - 8.4-13.7 HB2 LEU 81 - HE2 LYS 94 far 0 70 0 - 8.4-14.5 HB3 GLU 52 - HE3 LYS 49 far 0 65 0 - 8.5-16.8 HB2 LEU 127 - HE3 LYS 123 far 0 99 0 - 8.6-12.9 HG2 MET 121 - HE3 LYS 123 far 0 66 0 - 8.7-13.0 HB2 LEU 127 - HE2 LYS 123 far 0 100 0 - 8.7-13.3 HB2 LEU 81 - HE3 LYS 123 far 0 74 0 - 9.0-14.6 HG2 MET 121 - HE2 LYS 123 far 0 70 0 - 9.2-13.2 HB2 LYS 115 - HE2 LYS 123 far 0 98 0 - 9.5-16.5 HB3 LYS 40 - HE3 LYS 49 far 0 89 0 - 9.5-18.4 HB2 LYS 115 - HE3 LYS 123 far 0 96 0 - 9.6-17.0 HB3 LYS 115 - HE2 LYS 123 far 0 100 0 - 9.7-16.5 HB3 LYS 115 - HE3 LYS 123 far 0 99 0 - 9.8-16.4 HB3 GLU 52 - HE2 LYS 49 far 0 65 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 7140 from cnoeabs.peaks (1.91, 3.01, 41.78 ppm; 4.28 A): 4 out of 21 assignments used, quality = 1.00: * HB3 LYS 123 + HE2 LYS 123 OK 100 100 100 100 4.1-5.1 7093/3.0=93, 7130/3.0=83...(28) HB3 LYS 123 + HE3 LYS 123 OK 99 99 100 100 4.0-5.1 7093/3.0=93, 7130/3.0=83...(28) HB2 LYS 49 + HE3 LYS 49 OK 76 76 100 100 3.2-5.4 5.1=58, 4115/3.0=29...(36) HB2 LYS 49 + HE2 LYS 49 OK 76 76 100 100 3.9-5.5 5.1=58, 4115/3.0=29...(36) HB2 ARG 95 - HE2 LYS 94 far 3 62 5 - 5.3-9.7 HB2 LEU 45 - HE3 LYS 49 far 0 91 0 - 7.1-13.9 HB2 LYS 44 - HE3 LYS 49 far 0 99 0 - 7.5-16.3 HB2 LEU 45 - HE2 LYS 49 far 0 91 0 - 7.9-14.1 HB2 LYS 44 - HE2 LYS 49 far 0 99 0 - 8.0-16.4 HB2 LEU 81 - HE2 LYS 123 far 0 99 0 - 8.4-13.7 HB2 LEU 81 - HE2 LYS 94 far 0 93 0 - 8.4-14.5 HB2 LEU 127 - HE3 LYS 123 far 0 58 0 - 8.6-12.9 HG2 MET 121 - HE3 LYS 123 far 0 98 0 - 8.7-13.0 HB2 LYS 96 - HE2 LYS 94 far 0 76 0 - 8.7-11.5 HB2 LEU 127 - HE2 LYS 123 far 0 61 0 - 8.7-13.3 HB2 LEU 81 - HE3 LYS 123 far 0 97 0 - 9.0-14.6 HB3 LYS 44 - HE3 LYS 49 far 0 95 0 - 9.2-16.0 HG2 MET 121 - HE2 LYS 123 far 0 100 0 - 9.2-13.2 HB2 LYS 115 - HE2 LYS 123 far 0 81 0 - 9.5-16.5 HB2 LYS 115 - HE3 LYS 123 far 0 77 0 - 9.6-17.0 HB3 LYS 44 - HE2 LYS 49 far 0 95 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 7141 from cnoeabs.peaks (1.57, 3.01, 41.78 ppm; 3.69 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 123 + HE2 LYS 123 OK 100 100 100 100 2.1-3.6 3.9=86, 7104/3.0=70...(32) HG2 LYS 123 + HE3 LYS 123 OK 99 99 100 100 2.2-3.6 3.9=86, 7104/3.0=70...(32) HD2 LYS 106 - HE2 LYS 94 lone 4 73 90 5 1.9-6.1 HD3 LYS 106 - HE2 LYS 94 lone 3 76 85 4 2.0-5.9 HG2 LYS 115 - HE2 LYS 123 far 0 81 0 - 8.4-16.5 HG12 ILE 116 - HE2 LYS 123 far 0 94 0 - 9.0-14.3 HG2 LYS 115 - HE3 LYS 123 far 0 77 0 - 9.0-16.9 HG12 ILE 116 - HE3 LYS 123 far 0 91 0 - 9.5-14.7 HG12 ILE 116 - HE2 LYS 94 far 0 87 0 - 9.5-14.4 HG3 LYS 96 - HE2 LYS 94 far 0 93 0 - 9.5-12.7 HG2 LYS 44 - HE3 LYS 49 far 0 96 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 7142 from cnoeabs.peaks (1.70, 3.01, 41.78 ppm; 2.69 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 123 + HE2 LYS 123 OK 98 100 100 98 2.6-3.9 7132/3.0=47, 7122/3.0=41...(30) HG3 LYS 123 + HE3 LYS 123 OK 97 99 100 98 2.6-3.9 7132/3.0=47, 7122/3.0=41...(30) HB2 LYS 106 - HE2 LYS 94 far 9 58 15 - 3.6-7.6 HB3 LYS 106 - HE2 LYS 94 lone 1 66 40 2 2.3-8.3 HD3 LYS 44 - HE3 LYS 49 far 0 99 0 - 7.3-16.4 HD3 LYS 44 - HE2 LYS 49 far 0 99 0 - 7.9-16.8 HD2 LYS 96 - HE2 LYS 94 far 0 58 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 49 far 0 100 0 - 8.5-17.1 HD3 LYS 96 - HE2 LYS 94 far 0 66 0 - 9.1-11.9 HD2 LYS 44 - HE2 LYS 49 far 0 100 0 - 9.3-17.3 HG LEU 74 - HE3 LYS 49 far 0 98 0 - 9.7-17.7 Violated in 6 structures by 0.03 A. Peak 7143 from cnoeabs.peaks (1.84, 3.01, 41.78 ppm; 4.79 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 123 + HE2 LYS 123 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 123 + HE3 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 ARG 105 - HE2 LYS 94 far 11 73 15 - 5.7-10.1 HG LEU 127 - HE3 LYS 123 far 0 74 0 - 6.3-10.6 HG LEU 127 - HE2 LYS 123 far 0 77 0 - 6.6-10.9 HB2 ARG 105 - HE3 LYS 123 far 0 77 0 - 6.7-12.4 QE MET 121 - HE2 LYS 123 far 0 84 0 - 7.0-11.9 HB2 ARG 105 - HE2 LYS 123 far 0 81 0 - 7.4-12.7 QE MET 121 - HE3 LYS 123 far 0 80 0 - 7.7-12.1 HB3 LYS 77 - HE2 LYS 123 far 0 100 0 - 7.8-12.2 HB3 LYS 77 - HE3 LYS 123 far 0 98 0 - 7.8-11.9 HB2 LYS 77 - HE3 LYS 123 far 0 99 0 - 8.4-13.0 HB2 LYS 77 - HE2 LYS 123 far 0 100 0 - 8.5-13.2 Violated in 0 structures by 0.00 A. Peak 7144 from cnoeabs.peaks (1.75, 3.01, 41.78 ppm; 3.16 A): 5 out of 13 assignments used, quality = 1.00: * HD3 LYS 123 + HE2 LYS 123 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 LYS 49 + HE2 LYS 49 OK 84 96 90 97 2.5-4.8 4151/3.0=25, 4161/3.0=25...(37) HB3 LYS 49 + HE3 LYS 49 OK 74 96 80 97 3.2-5.1 4151/3.0=25, 4161/3.0=25...(37) HB3 LYS 94 + HE2 LYS 94 OK 54 76 85 84 2.7-5.1 4.8=28, ~6010=24...(12) HG3 ARG 105 - HE2 LYS 94 far 0 94 0 - 5.2-9.4 HB2 LEU 80 - HE2 LYS 94 far 0 93 0 - 5.9-10.9 HB3 LEU 82 - HE2 LYS 94 far 0 79 0 - 6.1-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 99 0 - 6.7-13.7 HG3 ARG 105 - HE3 LYS 123 far 0 97 0 - 7.1-12.7 HG2 ARG 118 - HE2 LYS 123 far 0 61 0 - 7.5-14.8 HG2 ARG 118 - HE3 LYS 123 far 0 58 0 - 7.5-15.0 HB2 LEU 80 - HE3 LYS 123 far 0 97 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. 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): 3 out of 17 assignments used, quality = 1.00: * HB2 LYS 123 + HE3 LYS 123 OK 100 100 100 100 4.2-4.6 7083/3.0=93, 7129/3.0=83...(29) HB2 LYS 123 + HE2 LYS 123 OK 99 99 100 100 4.3-4.6 7083/3.0=93, 7129/3.0=83...(29) HB VAL 104 + HE2 LYS 94 OK 23 66 50 70 4.1-9.0 ~10234=48, ~11307=27...(5) HB2 LEU 81 - HE2 LYS 123 far 0 74 0 - 8.4-13.7 HB2 LEU 81 - HE2 LYS 94 far 0 57 0 - 8.4-14.5 HB3 GLU 52 - HE3 LYS 49 far 0 58 0 - 8.5-16.8 HB2 LEU 127 - HE3 LYS 123 far 0 100 0 - 8.6-12.9 HG2 MET 121 - HE3 LYS 123 far 0 70 0 - 8.7-13.0 HB2 LEU 127 - HE2 LYS 123 far 0 99 0 - 8.7-13.3 HB2 LEU 81 - HE3 LYS 123 far 0 77 0 - 9.0-14.6 HG2 MET 121 - HE2 LYS 123 far 0 66 0 - 9.2-13.2 HB2 LYS 115 - HE2 LYS 123 far 0 96 0 - 9.5-16.5 HB3 LYS 40 - HE3 LYS 49 far 0 82 0 - 9.5-18.4 HB2 LYS 115 - HE3 LYS 123 far 0 98 0 - 9.6-17.0 HB3 LYS 115 - HE2 LYS 123 far 0 99 0 - 9.7-16.5 HB3 LYS 115 - HE3 LYS 123 far 0 100 0 - 9.8-16.4 HB3 GLU 52 - HE2 LYS 49 far 0 58 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 7150 from cnoeabs.peaks (1.91, 3.01, 41.78 ppm; 4.28 A): 4 out of 21 assignments used, quality = 1.00: * HB3 LYS 123 + HE3 LYS 123 OK 100 100 100 100 4.0-5.1 7093/3.0=93, 7130/3.0=83...(28) HB3 LYS 123 + HE2 LYS 123 OK 99 99 100 100 4.1-5.1 7093/3.0=93, 7130/3.0=83...(28) HB2 LYS 49 + HE3 LYS 49 OK 69 70 100 100 3.2-5.4 5.1=58, 4115/3.0=29...(36) HB2 LYS 49 + HE2 LYS 49 OK 69 70 100 100 3.9-5.5 5.1=58, 4115/3.0=29...(36) HB2 ARG 95 - HE2 LYS 94 far 3 51 5 - 5.3-9.7 HB2 LEU 45 - HE3 LYS 49 far 0 84 0 - 7.1-13.9 HB2 LYS 44 - HE3 LYS 49 far 0 95 0 - 7.5-16.3 HB2 LEU 45 - HE2 LYS 49 far 0 84 0 - 7.9-14.1 HB2 LYS 44 - HE2 LYS 49 far 0 95 0 - 8.0-16.4 HB2 LEU 81 - HE2 LYS 123 far 0 97 0 - 8.4-13.7 HB2 LEU 81 - HE2 LYS 94 far 0 80 0 - 8.4-14.5 HB2 LEU 127 - HE3 LYS 123 far 0 61 0 - 8.6-12.9 HG2 MET 121 - HE3 LYS 123 far 0 100 0 - 8.7-13.0 HB2 LYS 96 - HE2 LYS 94 far 0 63 0 - 8.7-11.5 HB2 LEU 127 - HE2 LYS 123 far 0 58 0 - 8.7-13.3 HB2 LEU 81 - HE3 LYS 123 far 0 99 0 - 9.0-14.6 HB3 LYS 44 - HE3 LYS 49 far 0 89 0 - 9.2-16.0 HG2 MET 121 - HE2 LYS 123 far 0 98 0 - 9.2-13.2 HB2 LYS 115 - HE2 LYS 123 far 0 77 0 - 9.5-16.5 HB2 LYS 115 - HE3 LYS 123 far 0 81 0 - 9.6-17.0 HB3 LYS 44 - HE2 LYS 49 far 0 89 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 7151 from cnoeabs.peaks (1.57, 3.01, 41.78 ppm; 3.69 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 123 + HE3 LYS 123 OK 100 100 100 100 2.2-3.6 3.9=86, 7104/3.0=70...(32) HG2 LYS 123 + HE2 LYS 123 OK 99 99 100 100 2.1-3.6 3.9=86, 7104/3.0=70...(32) HD2 LYS 106 - HE2 LYS 94 lone 3 60 90 5 1.9-6.1 HD3 LYS 106 - HE2 LYS 94 lone 3 63 85 4 2.0-5.9 HG2 LYS 115 - HE2 LYS 123 far 0 77 0 - 8.4-16.5 HG12 ILE 116 - HE2 LYS 123 far 0 91 0 - 9.0-14.3 HG2 LYS 115 - HE3 LYS 123 far 0 81 0 - 9.0-16.9 HG12 ILE 116 - HE3 LYS 123 far 0 94 0 - 9.5-14.7 HG12 ILE 116 - HE2 LYS 94 far 0 73 0 - 9.5-14.4 HG3 LYS 96 - HE2 LYS 94 far 0 80 0 - 9.5-12.7 HG2 LYS 44 - HE3 LYS 49 far 0 90 0 - 9.7-17.1 Violated in 0 structures by 0.00 A. Peak 7152 from cnoeabs.peaks (1.70, 3.01, 41.78 ppm; 2.69 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 123 + HE3 LYS 123 OK 98 100 100 98 2.6-3.9 7132/3.0=47, 7122/3.0=41...(30) HG3 LYS 123 + HE2 LYS 123 OK 97 99 100 98 2.6-3.9 7132/3.0=47, 7122/3.0=41...(30) HB2 LYS 106 - HE2 LYS 94 far 7 47 15 - 3.6-7.6 HB3 LYS 106 - HE2 LYS 94 lone 0 54 40 2 2.3-8.3 HD3 LYS 44 - HE3 LYS 49 far 0 94 0 - 7.3-16.4 HD3 LYS 44 - HE2 LYS 49 far 0 94 0 - 7.9-16.8 HD2 LYS 96 - HE2 LYS 94 far 0 47 0 - 8.0-12.3 HD2 LYS 44 - HE3 LYS 49 far 0 95 0 - 8.5-17.1 HD3 LYS 96 - HE2 LYS 94 far 0 54 0 - 9.1-11.9 HD2 LYS 44 - HE2 LYS 49 far 0 95 0 - 9.3-17.3 HG LEU 74 - HE3 LYS 49 far 0 93 0 - 9.7-17.7 Violated in 6 structures by 0.03 A. Peak 7153 from cnoeabs.peaks (1.84, 3.01, 41.78 ppm; 4.79 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 123 + HE3 LYS 123 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 123 + HE2 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 ARG 105 - HE2 LYS 94 far 9 60 15 - 5.7-10.1 HG LEU 127 - HE3 LYS 123 far 0 77 0 - 6.3-10.6 HG LEU 127 - HE2 LYS 123 far 0 74 0 - 6.6-10.9 HB2 ARG 105 - HE3 LYS 123 far 0 81 0 - 6.7-12.4 QE MET 121 - HE2 LYS 123 far 0 80 0 - 7.0-11.9 HB2 ARG 105 - HE2 LYS 123 far 0 77 0 - 7.4-12.7 QE MET 121 - HE3 LYS 123 far 0 84 0 - 7.7-12.1 HB3 LYS 77 - HE2 LYS 123 far 0 98 0 - 7.8-12.2 HB3 LYS 77 - HE3 LYS 123 far 0 100 0 - 7.8-11.9 HB2 LYS 77 - HE3 LYS 123 far 0 100 0 - 8.4-13.0 HB2 LYS 77 - HE2 LYS 123 far 0 99 0 - 8.5-13.2 Violated in 0 structures by 0.00 A. Peak 7154 from cnoeabs.peaks (1.75, 3.01, 41.78 ppm; 3.16 A): 5 out of 13 assignments used, quality = 1.00: * HD3 LYS 123 + HE3 LYS 123 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 123 + HE2 LYS 123 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 LYS 49 + HE2 LYS 49 OK 78 90 90 96 2.5-4.8 4151/3.0=25, 4161/3.0=25...(37) HB3 LYS 49 + HE3 LYS 49 OK 70 90 80 96 3.2-5.1 4151/3.0=25, 4161/3.0=25...(37) HB3 LYS 94 + HE2 LYS 94 OK 45 63 85 84 2.7-5.1 4.8=28, ~6010=24...(12) HG3 ARG 105 - HE2 LYS 94 far 0 81 0 - 5.2-9.4 HB2 LEU 80 - HE2 LYS 94 far 0 80 0 - 5.9-10.9 HB3 LEU 82 - HE2 LYS 94 far 0 66 0 - 6.1-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 97 0 - 6.7-13.7 HG3 ARG 105 - HE3 LYS 123 far 0 99 0 - 7.1-12.7 HG2 ARG 118 - HE2 LYS 123 far 0 58 0 - 7.5-14.8 HG2 ARG 118 - HE3 LYS 123 far 0 61 0 - 7.5-15.0 HB2 LEU 80 - HE3 LYS 123 far 0 99 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ALA 124 + HA ALA 124 OK 100 100 100 100 2.8-2.8 3.0=100 H LEU 80 - HA ALA 124 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 7160 from cnoeabs.peaks (8.60, 1.50, 18.93 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 124 + QB ALA 124 OK 100 100 100 100 2.0-2.2 2.9=100 H LEU 80 - QB ALA 124 far 0 100 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 7161 from cnoeabs.peaks (4.14, 1.50, 18.93 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 124 + QB ALA 124 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLN 122 - QB ALA 124 far 0 94 0 - 4.8-5.3 HA3 GLY 26 - QB ALA 124 far 0 65 0 - 8.3-11.1 HA VAL 22 - QB ALA 124 far 0 87 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H GLY 125 + HA2 GLY 125 OK 100 100 100 100 2.7-2.9 3.0=100 H GLY 125 + HA3 GLY 125 OK 78 78 100 100 2.3-2.3 3.0=100 H LYS 53 - HA2 GLY 125 far 0 84 0 - 7.7-12.3 H LYS 53 - HA3 GLY 125 far 0 59 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H GLY 125 + HA3 GLY 125 OK 100 100 100 100 2.3-2.3 3.0=100 H GLY 125 + HA2 GLY 125 OK 78 78 100 100 2.7-2.9 3.0=100 H LYS 53 - HA2 GLY 125 far 0 59 0 - 7.7-12.3 H LYS 53 - HA3 GLY 125 far 0 84 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 SER 126 + HA SER 126 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 126 + HA SER 126 OK 97 97 100 100 2.5-3.0 3.0=100 HA LYS 123 - HA SER 126 far 0 100 0 - 5.4-6.5 Violated in 0 structures by 0.00 A. Peak 7172 from cnoeabs.peaks (4.03, 4.45, 59.97 ppm; 3.07 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 126 + HA SER 126 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 SER 126 + HA SER 126 OK 97 97 100 100 2.3-3.0 3.0=100 HA LYS 123 - HA SER 126 far 0 99 0 - 5.4-6.5 Violated in 0 structures by 0.00 A. Peak 7173 from cnoeabs.peaks (7.86, 4.02, 63.46 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.99: * H SER 126 + HB2 SER 126 OK 91 100 100 91 2.2-3.6 4.0=61, 800/4.5=38...(8) H SER 126 + HB3 SER 126 OK 85 93 100 91 2.3-3.6 4.0=61, 800/4.5=38...(8) Violated in 0 structures by 0.00 A. Peak 7174 from cnoeabs.peaks (4.45, 4.02, 63.46 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 126 + HB2 SER 126 OK 99 100 100 99 2.3-3.0 3.0=99, 3.0/7173=22...(9) HA SER 126 + HB3 SER 126 OK 93 93 100 99 2.5-3.0 3.0=99, 3.0/7173=20...(9) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.99: * H SER 126 + HB3 SER 126 OK 91 100 100 91 2.3-3.6 4.0=61, 800/4.5=38...(8) H SER 126 + HB2 SER 126 OK 85 93 100 91 2.2-3.6 4.0=61, 800/4.5=38...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 HA SER 126 + HB2 SER 126 OK 93 93 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 LEU 127 + HA LEU 127 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 123 - HA LEU 127 far 0 61 0 - 7.7-9.6 HB2 LYS 123 - HA LEU 127 far 0 100 0 - 7.8-10.9 HB3 GLU 52 - HA LEU 127 far 0 61 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 7184 from cnoeabs.peaks (1.61, 4.28, 56.22 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + HA LEU 127 OK 100 100 100 100 2.3-2.3 3.0=100 HD2 LYS 77 - HA LEU 127 far 0 90 0 - 6.6-9.3 HD3 LYS 77 - HA LEU 127 far 0 92 0 - 6.9-9.8 Violated in 0 structures by 0.00 A. Peak 7185 from cnoeabs.peaks (1.86, 4.28, 56.22 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 127 + HA LEU 127 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 LYS 77 - HA LEU 127 far 0 77 0 - 6.1-7.9 HB3 LYS 77 - HA LEU 127 far 0 70 0 - 6.1-7.9 HD2 LYS 123 - HA LEU 127 far 0 77 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 7186 from cnoeabs.peaks (0.93, 4.28, 56.22 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + HA LEU 127 OK 100 100 100 100 2.1-2.4 7210=100, 809/3.6=29...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 7188 from cnoeabs.peaks (7.88, 1.93, 42.07 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + HB2 LEU 127 OK 100 100 100 100 2.8-2.9 1830=100, 1831/1.8=81...(9) Violated in 0 structures by 0.00 A. Peak 7189 from cnoeabs.peaks (4.28, 1.93, 42.07 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 127 + HB2 LEU 127 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 73 - HB2 LEU 70 far 0 68 0 - 7.3-8.6 HA GLU 41 - HB2 LEU 70 far 0 41 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 LEU 127 + HB2 LEU 127 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 77 - HB2 LEU 127 far 4 90 5 - 4.2-7.8 HG2 LYS 73 - HB2 LEU 70 far 0 50 0 - 4.3-6.9 HD3 LYS 77 - HB2 LEU 127 far 0 92 0 - 5.0-7.9 HG3 LYS 40 - HB2 LEU 70 far 0 72 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 7192 from cnoeabs.peaks (1.86, 1.93, 42.07 ppm; 3.20 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 127 + HB2 LEU 127 OK 100 100 100 100 2.3-2.4 3.0=100 HG LEU 70 + HB2 LEU 70 OK 66 66 100 100 2.7-3.0 3.0=100 QE MET 42 + HB2 LEU 70 OK 48 70 80 85 2.3-5.3 9430/3.1=28, 5045/1.8=18...(19) HB3 LYS 77 + HB2 LEU 127 OK 25 70 55 67 3.6-5.8 ~11287=14, ~11289=13...(12) HB2 LYS 77 - HB2 LEU 127 far 8 77 10 - 4.2-6.1 HD2 LYS 123 - HB2 LEU 127 far 0 77 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 7193 from cnoeabs.peaks (0.93, 1.93, 42.07 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 127 + HB2 LEU 127 OK 100 100 100 100 3.2-3.2 3.1=100 HG3 LYS 53 - HB2 LEU 127 far 0 99 0 - 7.8-12.2 Violated in 20 structures by 0.03 A. Peak 7194 from cnoeabs.peaks (1.01, 1.93, 42.07 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 127 + HB2 LEU 127 OK 100 100 100 100 2.3-2.5 3.1=100 HG13 ILE 71 + HB2 LEU 70 OK 34 66 80 65 3.2-6.2 1470/4.5=32, ~9778=17...(9) Violated in 0 structures by 0.00 A. Peak 7195 from cnoeabs.peaks (7.88, 1.61, 42.07 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + HB3 LEU 127 OK 100 100 100 100 3.5-3.6 1831=100, 1830/1.8=92...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 7197 from cnoeabs.peaks (1.93, 1.61, 42.07 ppm; 2.79 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 127 + HB3 LEU 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 123 - HB3 LEU 127 far 0 100 0 - 7.2-11.1 HB3 LYS 123 - HB3 LEU 127 far 0 61 0 - 7.4-9.6 HB3 GLU 52 - HB3 LEU 127 far 0 61 0 - 9.5-16.4 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HG LEU 127 + HB3 LEU 127 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 77 + HB3 LEU 127 OK 23 77 40 74 3.9-5.9 ~11287=17, ~11289=16...(12) HB3 LYS 77 - HB3 LEU 127 far 10 70 15 - 3.9-6.0 HD2 LYS 123 - HB3 LEU 127 far 0 77 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 7200 from cnoeabs.peaks (0.93, 1.61, 42.07 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 127 + HB3 LEU 127 OK 100 100 100 100 2.4-2.5 3.1=100 HG3 LYS 53 - HB3 LEU 127 far 0 99 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 7202 from cnoeabs.peaks (7.88, 1.86, 26.77 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + HG LEU 127 OK 100 100 100 100 1.8-2.1 1832=100, 1830/3.0=70...(9) Violated in 0 structures by 0.00 A. Peak 7203 from cnoeabs.peaks (4.28, 1.86, 26.77 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 127 + HG LEU 127 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 73 - HG LEU 70 far 0 73 0 - 7.7-8.6 HA GLU 41 - HG LEU 70 far 0 44 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 7204 from cnoeabs.peaks (1.93, 1.86, 26.77 ppm; 3.02 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LEU 127 + HG LEU 127 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LEU 70 + HG LEU 70 OK 73 73 100 100 2.7-3.0 3.0=100 HB3 MET 42 + HG LEU 70 OK 32 51 70 92 3.9-5.2 5057/2.1=23, 5064/2.1=22...(22) HB2 LYS 123 - HG LEU 127 far 0 100 0 - 4.5-8.1 HB3 LYS 123 - HG LEU 127 far 0 61 0 - 4.6-6.6 HB2 LYS 39 - HG LEU 70 far 0 83 0 - 6.7-9.9 HB3 LYS 39 - HG LEU 70 far 0 57 0 - 7.0-10.0 HB2 GLU 41 - HG LEU 70 far 0 51 0 - 7.9-9.9 HB3 LYS 65 - HG LEU 70 far 0 83 0 - 8.0-11.2 HB2 LYS 65 - HG LEU 70 far 0 83 0 - 8.1-10.7 HB3 GLU 41 - HG LEU 70 far 0 54 0 - 8.3-9.7 HG2 MET 121 - HG LEU 127 far 0 73 0 - 9.7-11.1 HB3 GLU 52 - HG LEU 127 far 0 61 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 7205 from cnoeabs.peaks (1.61, 1.86, 26.77 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 127 + HG LEU 127 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 LYS 77 + HG LEU 127 OK 35 90 40 97 3.9-6.8 ~11287=24, ~11289=23...(20) HD3 LYS 77 - HG LEU 127 far 9 92 10 - 4.3-6.9 HG2 LYS 73 - HG LEU 70 poor 9 54 75 22 3.8-7.6 11080/3.6=14, 5153/1462=9 HG3 LYS 40 - HG LEU 70 far 0 77 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD2 LEU 127 + HG LEU 127 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 53 - HG LEU 127 far 0 99 0 - 8.3-13.3 Violated in 0 structures by 0.00 A. Peak 7208 from cnoeabs.peaks (1.01, 1.86, 26.77 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 127 + HG LEU 127 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 71 + HG LEU 70 OK 53 71 90 83 5.6-8.1 4.6/438=47, ~9778=35...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.6 4.2=100 Violated in 0 structures by 0.00 A. Peak 7210 from cnoeabs.peaks (4.28, 0.93, 22.96 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + QD2 LEU 127 OK 100 100 100 100 2.1-2.4 7186=100, 3.6/809=29...(9) Violated in 0 structures by 0.00 A. Peak 7211 from cnoeabs.peaks (1.93, 0.93, 22.96 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 127 + QD2 LEU 127 OK 100 100 100 100 3.2-3.2 3.1=100 HB2 LYS 123 - QD2 LEU 127 poor 7 100 30 22 4.1-7.6 4651/10828=21 HB3 LYS 123 - QD2 LEU 127 lone 1 61 45 3 4.3-6.4 7218/2.1=2 HB3 GLU 52 - QD2 LEU 127 far 0 61 0 - 9.8-15.7 HG2 MET 121 - QD2 LEU 127 far 0 73 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 7212 from cnoeabs.peaks (1.61, 0.93, 22.96 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + QD2 LEU 127 OK 100 100 100 100 2.4-2.5 3.1=100 HD2 LYS 77 + QD2 LEU 127 OK 35 90 40 97 4.1-6.0 3.0/11288=32, ~11287=22...(20) HD3 LYS 77 - QD2 LEU 127 far 14 92 15 - 3.7-6.5 Violated in 0 structures by 0.00 A. Peak 7213 from cnoeabs.peaks (1.86, 0.93, 22.96 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 127 + QD2 LEU 127 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 77 - QD2 LEU 127 far 12 77 15 - 4.1-5.7 HB3 LYS 77 - QD2 LEU 127 far 10 70 15 - 4.5-6.1 HD2 LYS 123 - QD2 LEU 127 far 0 77 0 - 5.4-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.7 4.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 7218 from cnoeabs.peaks (1.93, 1.01, 25.52 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 127 + QD1 LEU 127 OK 100 100 100 100 2.3-2.5 3.1=100 HB2 LYS 123 - QD1 LEU 127 far 10 100 10 - 3.8-7.9 HB3 LYS 123 - QD1 LEU 127 lone 2 61 35 9 3.9-6.5 8319/10653=6, ~7211=2 HG2 MET 121 - QD1 LEU 127 far 0 73 0 - 8.7-10.1 HB3 GLU 52 - QD1 LEU 127 far 0 61 0 - 8.7-14.0 Violated in 0 structures by 0.00 A. Peak 7219 from cnoeabs.peaks (1.61, 1.01, 25.52 ppm; 3.38 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + QD1 LEU 127 OK 100 100 100 100 2.1-2.4 3.1=100 HD3 LYS 77 + QD1 LEU 127 OK 89 92 100 97 2.0-4.3 3.0/11287=33...(25) HD2 LYS 77 + QD1 LEU 127 OK 86 90 100 96 1.9-4.3 3.0/11287=33...(20) Violated in 0 structures by 0.00 A. Peak 7220 from cnoeabs.peaks (1.86, 1.01, 25.52 ppm; 3.64 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 127 + QD1 LEU 127 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 77 + QD1 LEU 127 OK 73 77 100 94 2.2-3.3 3.0/11287=40...(16) HB3 LYS 77 + QD1 LEU 127 OK 66 70 100 94 2.0-3.5 3.0/11287=40...(15) HD2 LYS 123 - QD1 LEU 127 far 4 77 5 - 5.0-8.4 QE MET 42 - QD1 LEU 127 far 0 96 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 7221 from cnoeabs.peaks (0.93, 1.01, 25.52 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 127 + QD1 LEU 127 OK 100 100 100 100 1.9-2.1 2.1=100 HG3 LYS 53 - QD1 LEU 127 far 0 99 0 - 7.3-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 71 - HA LEU 64 far 0 86 0 - 7.7-9.6 HB ILE 7 - HA LEU 64 far 0 79 0 - 7.9-8.9 HB3 LYS 123 - HA GLU 128 far 0 84 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 7226 from cnoeabs.peaks (1.95, 3.91, 57.61 ppm; 4.54 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLU 52 - HA GLU 128 far 5 100 5 - 5.0-12.7 HB2 GLU 41 - HA LEU 64 far 0 87 0 - 7.0-8.8 HB3 GLU 41 - HA LEU 64 far 0 86 0 - 7.0-8.8 HB2 LEU 70 - HA LEU 64 far 0 72 0 - 7.8-10.1 HB3 MET 42 - HA LEU 64 far 0 87 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 7227 from cnoeabs.peaks (2.01, 3.91, 57.61 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.1-4.2 4.0=85, 7239/3.0=39...(22) HG3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.5-4.2 4.0=85, 7239/3.0=39...(22) HB2 MET 1 - HA GLU 128 poor 18 73 25 - 4.1-8.0 Violated in 0 structures by 0.00 A. Peak 7228 from cnoeabs.peaks (2.01, 3.91, 57.61 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.1-4.2 4.0=85, 7239/3.0=39...(22) * HG3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.5-4.2 4.0=85, 7239/3.0=39...(22) HB2 MET 1 - HA GLU 128 poor 18 73 25 - 4.1-8.0 Violated in 0 structures by 0.00 A. Peak 7229 from cnoeabs.peaks (8.08, 1.90, 29.83 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.1-3.5 1837=100, 1838/1.8=87...(13) H SER 99 + HB2 ARG 95 OK 25 74 75 44 5.0-6.4 8223/3.0=28...(3) H GLU 92 - HB2 ARG 95 far 5 97 5 - 5.2-6.9 H PHE 93 - HB2 ARG 95 far 0 58 0 - 5.7-7.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 95 + HB2 ARG 95 OK 70 70 100 100 1.8-1.8 1.8=100 HB3 LYS 96 - HB2 ARG 95 far 0 66 0 - 4.4-7.4 HB3 GLU 52 - HB2 GLU 128 far 0 100 0 - 5.7-13.6 HB VAL 104 - HB2 ARG 95 far 0 93 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 7233 from cnoeabs.peaks (2.01, 1.90, 29.83 ppm; 2.71 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 128 + HB2 GLU 128 OK 97 100 100 97 2.3-3.0 3.0=74, 7239/1.8=34...(16) * HG2 GLU 128 + HB2 GLU 128 OK 97 100 100 97 2.3-3.0 3.0=74, 7239/1.8=34...(16) HB2 MET 1 - HB2 GLU 128 far 0 73 0 - 5.3-9.8 Violated in 0 structures by 0.00 A. Peak 7234 from cnoeabs.peaks (2.01, 1.90, 29.83 ppm; 2.71 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 128 + HB2 GLU 128 OK 97 100 100 97 2.3-3.0 3.0=74, 7239/1.8=34...(16) HG2 GLU 128 + HB2 GLU 128 OK 97 100 100 97 2.3-3.0 3.0=74, 7239/1.8=34...(16) HB2 MET 1 - HB2 GLU 128 far 0 73 0 - 5.3-9.8 Violated in 0 structures by 0.00 A. Peak 7235 from cnoeabs.peaks (8.08, 1.95, 29.83 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-3.6 1838=100, 1837/1.8=91...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7237 from cnoeabs.peaks (1.90, 1.95, 29.83 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 123 - HB3 GLU 128 far 0 84 0 - 9.4-11.5 HG2 MET 121 - HB3 GLU 128 far 0 73 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: HG3 GLU 128 + HB3 GLU 128 OK 95 100 100 95 2.2-3.0 3.0=63, 7233/1.8=29...(15) * HG2 GLU 128 + HB3 GLU 128 OK 95 100 100 95 2.3-3.0 3.0=63, 7233/1.8=29...(15) HB2 MET 1 - HB3 GLU 128 far 0 73 0 - 5.1-9.0 Violated in 0 structures by 0.00 A. Peak 7240 from cnoeabs.peaks (2.01, 1.95, 29.83 ppm; 2.57 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 95 100 100 95 2.2-3.0 3.0=63, 7233/1.8=29...(15) HG2 GLU 128 + HB3 GLU 128 OK 95 100 100 95 2.3-3.0 3.0=63, 7233/1.8=29...(15) HB2 MET 1 - HB3 GLU 128 far 0 73 0 - 5.1-9.0 Violated in 0 structures by 0.00 A. Peak 7241 from cnoeabs.peaks (8.08, 2.01, 36.01 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: H GLU 128 + HG3 GLU 128 OK 100 100 100 100 1.9-4.5 1837/3.0=82, 1838/3.0=79...(10) * H GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.7-4.4 1837/3.0=82, 1838/3.0=79...(10) Violated in 0 structures by 0.00 A. Peak 7242 from cnoeabs.peaks (3.91, 2.01, 36.01 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.1-4.2 4.0=87, 3.0/7240=40...(22) HA GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.5-4.2 4.0=87, 3.0/7240=40...(22) Violated in 0 structures by 0.00 A. Peak 7243 from cnoeabs.peaks (1.90, 2.01, 36.01 ppm; 2.96 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/7240=39...(16) * HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/7240=39...(16) HG2 MET 121 - HG3 GLU 128 far 0 73 0 - 7.5-12.9 HB3 LYS 123 - HG3 GLU 128 far 0 84 0 - 7.6-11.6 HB3 LYS 123 - HG2 GLU 128 far 0 84 0 - 8.3-12.1 HG2 MET 121 - HG2 GLU 128 far 0 73 0 - 8.6-12.8 Violated in 0 structures by 0.00 A. Peak 7244 from cnoeabs.peaks (1.95, 2.01, 36.01 ppm; 2.89 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 128 + HG3 GLU 128 OK 99 100 100 99 2.2-3.0 3.0=90, 7239/1.8=38...(15) * HB3 GLU 128 + HG2 GLU 128 OK 99 100 100 99 2.3-3.0 3.0=90, 7239/1.8=38...(15) HB3 GLU 52 - HG3 GLU 128 far 5 100 5 - 4.3-13.3 HB3 GLU 52 - HG2 GLU 128 far 0 100 0 - 5.8-12.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 128 + HG3 GLU 128 OK 100 100 100 100 1.9-4.5 1837/3.0=82, 1838/3.0=79...(10) H GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.7-4.4 1837/3.0=82, 1838/3.0=79...(10) Violated in 0 structures by 0.00 A. Peak 7248 from cnoeabs.peaks (3.91, 2.01, 36.01 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.1-4.2 4.0=87, 3.0/7240=40...(22) * HA GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.5-4.2 4.0=87, 3.0/7240=40...(22) Violated in 0 structures by 0.00 A. Peak 7249 from cnoeabs.peaks (1.90, 2.01, 36.01 ppm; 2.96 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/7240=39...(16) HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/7240=39...(16) HG2 MET 121 - HG3 GLU 128 far 0 73 0 - 7.5-12.9 HB3 LYS 123 - HG3 GLU 128 far 0 84 0 - 7.6-11.6 HB3 LYS 123 - HG2 GLU 128 far 0 84 0 - 8.3-12.1 HG2 MET 121 - HG2 GLU 128 far 0 73 0 - 8.6-12.8 Violated in 0 structures by 0.00 A. Peak 7250 from cnoeabs.peaks (1.95, 2.01, 36.01 ppm; 2.89 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HG3 GLU 128 OK 99 100 100 99 2.2-3.0 3.0=90, 7239/1.8=38...(15) HB3 GLU 128 + HG2 GLU 128 OK 99 100 100 99 2.3-3.0 3.0=90, 7239/1.8=38...(15) HB3 GLU 52 - HG3 GLU 128 far 5 100 5 - 4.3-13.3 HB3 GLU 52 - HG2 GLU 128 far 0 100 0 - 5.8-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 7305 from cnoeabs.peaks (9.08, 1.08, 17.85 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 4 + QG2 ILE 3 OK 100 100 100 100 2.1-3.0 4=100, 2/3.2=65...(13) H LEU 81 - QG2 ILE 3 far 0 65 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 7307 from cnoeabs.peaks (9.08, 1.22, 27.38 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + HG13 ILE 3 OK 100 100 100 100 3.5-5.6 6=100, 4/3.2=99...(7) Violated in 0 structures by 0.00 A. Peak 7308 from cnoeabs.peaks (9.08, 0.97, 13.48 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + QD1 ILE 3 OK 100 100 100 100 2.8-4.7 7=95, 4/3.0=88...(7) Violated in 0 structures by 0.00 A. Peak 7309 from cnoeabs.peaks (8.77, 5.46, 53.34 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 5 + HA LEU 4 OK 100 100 100 100 2.1-2.3 3.6=100 H VAL 29 - HA LEU 4 far 0 90 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 7310 from cnoeabs.peaks (8.77, 1.44, 45.31 ppm; 5.51 A): 2 out of 4 assignments used, quality = 1.00: H ILE 5 + HB3 LEU 4 OK 100 100 100 100 2.6-3.7 4.4=100 * H ILE 5 + HB2 LEU 4 OK 100 100 100 100 3.4-4.5 4.4=100 H MET 42 - HB3 LEU 4 far 0 81 0 - 8.6-10.0 H MET 42 - HB2 LEU 4 far 0 81 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 7312 from cnoeabs.peaks (8.77, 1.45, 28.19 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 5 + HG LEU 4 OK 100 100 100 100 3.7-5.1 7313/2.1=100, 9/3.7=98...(14) H MET 42 - HG LEU 4 far 0 81 0 - 8.3-10.8 H VAL 29 - HG LEU 4 far 0 90 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 7313 from cnoeabs.peaks (8.77, 0.64, 25.46 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 5 + QD1 LEU 4 OK 99 100 100 99 4.1-4.6 9/3.8=66, 13=53...(12) H MET 42 - QD1 LEU 4 far 4 81 5 - 5.7-8.9 H VAL 29 - QD1 LEU 4 far 0 90 0 - 8.9-10.7 Violated in 9 structures by 0.09 A. Peak 7314 from cnoeabs.peaks (8.77, 0.68, 25.98 ppm; 4.61 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 5 + QD2 LEU 4 OK 100 100 100 100 3.3-5.3 7313/2.1=80, 9/3.8=71...(13) H ILE 5 + QD1 LEU 55 OK 54 55 100 97 2.7-5.2 3.9/10939=68...(9) H VAL 29 - QD1 LEU 55 poor 11 44 25 - 5.1-7.3 H MET 42 - QD2 LEU 4 poor 8 81 40 26 5.6-8.9 6.1/10737=21...(4) H ILE 18 - QD1 LEU 55 far 0 25 0 - 6.8-8.8 H VAL 29 - QD2 LEU 4 far 0 90 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 7317 from cnoeabs.peaks (9.23, 0.84, 17.12 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + QG2 ILE 5 OK 100 100 100 100 2.4-2.8 18=100, 16/3.2=65...(9) H LEU 6 - QG2 ILE 15 far 0 95 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 7321 from cnoeabs.peaks (8.93, 5.35, 53.00 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + HA LEU 6 OK 100 100 100 100 2.1-2.2 23=100, 28/2450=47...(13) Violated in 0 structures by 0.00 A. Peak 7324 from cnoeabs.peaks (8.93, 1.52, 27.91 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + HG LEU 6 OK 100 100 100 100 4.1-4.9 28/2.1=100, 11612/2.1=99...(9) Violated in 0 structures by 0.00 A. Peak 7326 from cnoeabs.peaks (8.93, 0.71, 25.51 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + QD1 LEU 6 OK 100 100 100 100 1.7-2.6 28=100, 23/2450=78...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.4 4.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 7332 from cnoeabs.peaks (8.63, 0.77, 14.16 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 8 + QD1 ILE 7 OK 100 100 100 100 3.7-5.3 32/3.3=98, 30/2522=93...(7) H VAL 104 - QD1 ILE 7 far 0 70 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 7333 from cnoeabs.peaks (8.04, 5.90, 51.10 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * H THR 9 + HA ASN 8 OK 100 100 100 100 2.2-2.2 37=100, 39/3.0=41...(10) H LYS 65 - HA ASN 8 far 0 98 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 7335 from cnoeabs.peaks (8.04, 2.27, 42.58 ppm; 6.13 A): 2 out of 2 assignments used, quality = 1.00: * H THR 9 + HB3 ASN 8 OK 100 100 100 100 4.2-4.6 4.6=100 H LYS 65 + HB3 ASN 8 OK 96 98 100 98 5.7-6.9 4.7/9104=87...(5) Violated in 0 structures by 0.00 A. Peak 7336 from cnoeabs.peaks (8.44, 4.74, 60.69 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HA THR 9 OK 100 100 100 100 2.2-2.3 3.6=100 H GLN 83 + HA THR 9 OK 99 100 100 100 3.1-4.6 10691=98, 9997/3.0=67...(4) Violated in 0 structures by 0.00 A. Peak 7337 from cnoeabs.peaks (8.44, 4.32, 67.77 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HB THR 9 OK 100 100 100 100 3.0-4.0 44=100, 43/3.0=85...(8) H GLN 83 + HB THR 9 OK 98 100 100 99 4.1-5.7 9997=80, 10691/3.0=62...(6) Violated in 0 structures by 0.00 A. Peak 7338 from cnoeabs.peaks (8.44, 0.86, 19.21 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 10 + QG2 THR 9 OK 100 100 100 100 3.7-4.2 4.0=100 H GLN 83 + QG2 THR 9 OK 58 100 60 97 4.9-6.6 9997/2.1=76...(5) H VAL 32 - QG2 THR 9 far 0 100 0 - 7.0-8.3 H GLN 62 - QG2 THR 9 far 0 98 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-3.4 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 7342 from cnoeabs.peaks (8.59, 4.69, 52.44 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HA ASN 11 OK 100 100 100 100 2.1-2.3 53=100 Violated in 0 structures by 0.00 A. Peak 7344 from cnoeabs.peaks (8.59, 2.74, 38.35 ppm; 5.83 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 12 + HB3 ASN 11 OK 100 100 100 100 2.6-4.5 4.4=100 H THR 108 - HB3 ASN 11 far 0 65 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7346 from cnoeabs.peaks (8.29, 2.64, 41.16 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 13 + HB2 ASP 12 OK 96 100 100 96 2.6-3.7 4.6=69, 1861/4.0=57...(7) H GLU 13 + HB3 ASP 12 OK 96 100 100 96 3.6-4.1 4.6=69, 1861/4.0=57...(7) Violated in 0 structures by 0.00 A. Peak 7347 from cnoeabs.peaks (8.29, 2.64, 41.16 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: H GLU 13 + HB2 ASP 12 OK 96 100 100 96 2.6-3.7 4.6=69, 1861/4.0=57...(7) * H GLU 13 + HB3 ASP 12 OK 96 100 100 96 3.6-4.1 4.6=69, 1861/4.0=57...(7) Violated in 0 structures by 0.00 A. Peak 7348 from cnoeabs.peaks (7.58, 4.03, 59.01 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HA GLU 13 OK 100 100 100 100 3.4-3.6 3.6=100 H LYS 17 + HA GLU 13 OK 97 98 100 99 3.4-4.0 1989=89, 1865/1983=38...(12) Violated in 0 structures by 0.00 A. Peak 7349 from cnoeabs.peaks (7.58, 2.06, 28.71 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB2 GLU 13 OK 100 100 100 100 3.0-3.8 64=100, 65/1.8=79...(6) H LYS 17 + HB2 GLU 13 OK 66 98 100 67 4.4-5.1 1989/3.0=56...(3) Violated in 0 structures by 0.00 A. Peak 7350 from cnoeabs.peaks (7.58, 2.16, 28.71 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB3 GLU 13 OK 100 100 100 100 2.3-3.1 65=100, 64/1.8=83...(6) H LYS 17 - HB3 GLU 13 poor 20 98 25 81 5.3-6.0 1989/2609=64...(3) Violated in 0 structures by 0.00 A. Peak 7351 from cnoeabs.peaks (7.58, 2.36, 36.01 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HG2 GLU 13 OK 100 100 100 100 4.3-5.0 66=96, 65/2627=87...(7) H LYS 17 + HG2 GLU 13 OK 58 98 65 91 5.2-6.8 1989/2625=75...(4) Violated in 1 structures by 0.00 A. Peak 7352 from cnoeabs.peaks (7.58, 2.31, 36.01 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HG3 GLU 13 OK 100 100 100 100 3.8-4.8 67=100, 65/2633=91...(6) H LYS 17 - HG3 GLU 13 far 5 98 5 - 5.9-7.3 Violated in 0 structures by 0.00 A. Peak 7354 from cnoeabs.peaks (8.24, 1.82, 40.10 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 15 + HB2 LEU 14 OK 100 100 100 100 2.5-3.6 4.6=100 H GLU 112 - HB2 LEU 14 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 7355 from cnoeabs.peaks (8.24, 1.50, 40.10 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 15 + HB3 LEU 14 OK 100 100 100 100 2.5-3.6 4.6=100 H GLU 112 - HB3 LEU 14 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 7357 from cnoeabs.peaks (8.24, 0.86, 22.48 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 15 + QD1 LEU 14 OK 100 100 100 100 4.4-4.6 71/3.1=74, 1863/4.3=61...(13) H GLU 112 + QD1 LEU 14 OK 84 99 95 89 5.2-6.0 10398/11517=35...(10) Violated in 1 structures by 0.00 A. Peak 7358 from cnoeabs.peaks (8.24, 0.76, 24.53 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 15 + QD2 LEU 14 OK 100 100 100 100 4.1-4.5 71/3.1=83, 1863/4.3=70...(12) H GLU 112 + QD2 LEU 14 OK 64 99 70 91 5.8-6.9 10398/11518=56...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7360 from cnoeabs.peaks (7.60, 1.92, 37.42 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HB ILE 15 OK 100 100 100 100 2.0-2.3 77=100, 78/2.1=92...(8) Violated in 0 structures by 0.00 A. Peak 7361 from cnoeabs.peaks (7.60, 0.85, 17.08 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 16 + QG2 ILE 15 OK 100 100 100 100 3.3-3.5 4.1=100 H LYS 115 - QG2 ILE 5 far 0 75 0 - 8.5-9.7 HE ARG 105 - QG2 ILE 5 far 0 92 0 - 8.9-11.2 H ASP 34 - QG2 ILE 15 far 0 87 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 7362 from cnoeabs.peaks (7.60, 1.73, 30.33 ppm; 6.14 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HG12 ILE 15 OK 100 100 100 100 3.6-3.8 79=100, 77/2.9=100...(7) Violated in 0 structures by 0.00 A. Peak 7364 from cnoeabs.peaks (7.60, 0.76, 13.07 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 16 + QD1 ILE 15 OK 100 100 100 100 3.8-4.5 81=100, 79/2.1=99...(8) H ASP 34 - QD1 ILE 15 far 0 87 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 7365 from cnoeabs.peaks (7.58, 3.84, 60.17 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HA LYS 16 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 14 - HA LYS 16 far 0 98 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 7366 from cnoeabs.peaks (7.58, 1.88, 32.16 ppm; 3.18 A): 2 out of 7 assignments used, quality = 1.00: H LYS 17 + HB3 LYS 16 OK 96 100 100 96 2.4-4.1 84=45, 1865/4.0=41...(13) * H LYS 17 + HB2 LYS 16 OK 96 100 100 96 2.4-4.1 84=45, 1865/4.0=41...(13) H LYS 17 - HB3 LYS 20 far 0 65 0 - 5.3-7.9 H LEU 14 - HB2 LYS 16 far 0 98 0 - 5.6-7.8 H LEU 14 - HB3 LYS 16 far 0 98 0 - 5.8-7.6 H LYS 17 - HB2 LYS 20 far 0 65 0 - 6.3-7.4 H LEU 14 - HB3 LYS 20 far 0 61 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 7367 from cnoeabs.peaks (7.58, 1.88, 32.16 ppm; 3.18 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 17 + HB3 LYS 16 OK 96 100 100 96 2.4-4.1 85=45, 1865/4.0=41...(13) H LYS 17 + HB2 LYS 16 OK 96 100 100 96 2.4-4.1 85=45, 1865/4.0=41...(13) H LYS 17 - HB3 LYS 20 far 0 69 0 - 5.3-7.9 H LEU 14 - HB2 LYS 16 far 0 98 0 - 5.6-7.8 H LEU 14 - HB3 LYS 16 far 0 98 0 - 5.8-7.6 H LYS 17 - HB2 LYS 20 far 0 69 0 - 6.3-7.4 H LEU 14 - HB3 LYS 20 far 0 65 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 7368 from cnoeabs.peaks (7.58, 1.63, 25.30 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG2 LYS 16 OK 100 100 100 100 2.7-4.4 1865/1106=84, 86=73...(13) H LEU 14 + HG2 LYS 16 OK 34 98 65 54 4.7-6.5 3.6/11424=46, 7369/1.8=13 Violated in 6 structures by 0.10 A. Peak 7369 from cnoeabs.peaks (7.58, 1.40, 25.30 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG3 LYS 16 OK 100 100 100 100 2.5-4.5 87=84, 1865/1107=74...(15) H LEU 14 + HG3 LYS 16 OK 23 98 35 66 4.4-6.6 3.6/11425=52...(4) Violated in 13 structures by 0.22 A. Peak 7370 from cnoeabs.peaks (7.58, 1.69, 29.24 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 17 + HD2 LYS 16 OK 98 100 100 98 4.6-5.3 87/2.9=59, 86/2.9=59...(8) H LYS 17 + HD3 LYS 16 OK 98 99 100 98 4.6-5.6 87/2.9=59, 86/2.9=59...(9) H LEU 14 - HD3 LYS 16 far 5 97 5 - 5.2-8.2 H LEU 14 - HD2 LYS 16 far 0 98 0 - 6.5-8.1 Violated in 20 structures by 0.25 A. Peak 7371 from cnoeabs.peaks (7.58, 1.69, 29.24 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 17 + HD3 LYS 16 OK 98 100 100 98 4.6-5.6 87/2.9=58, 86/2.9=58...(9) H LYS 17 + HD2 LYS 16 OK 98 99 100 98 4.6-5.3 87/2.9=58, 86/2.9=58...(8) H LEU 14 - HD3 LYS 16 far 5 98 5 - 5.2-8.2 H LEU 14 - HD2 LYS 16 far 0 97 0 - 6.5-8.1 Violated in 20 structures by 0.29 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.0 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 7378 from cnoeabs.peaks (8.79, 1.43, 25.82 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HG3 LYS 17 OK 100 100 100 100 2.6-5.1 95/3.0=99, 94/3.0=99...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7384 from cnoeabs.peaks (8.53, 1.82, 37.56 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + HB ILE 18 OK 100 100 100 100 2.5-3.2 4.5=84, 102/2907=62...(17) H ILE 57 - HB ILE 18 far 0 94 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 7385 from cnoeabs.peaks (8.53, 0.72, 17.36 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + QG2 ILE 18 OK 100 100 100 100 2.4-3.8 3.7=100 H ILE 57 - QG2 ILE 18 far 0 94 0 - 6.3-8.4 Violated in 0 structures by 0.00 A. Peak 7388 from cnoeabs.peaks (8.53, 0.61, 13.41 ppm; 5.65 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 19 + QD1 ILE 18 OK 100 100 100 100 4.1-4.9 108=100, 3.7/2920=98...(12) H ILE 57 - QD1 ILE 18 far 5 94 5 - 6.9-8.6 H ILE 57 - QD1 ILE 5 far 0 69 0 - 8.5-10.2 H LYS 19 - QD1 ILE 5 far 0 78 0 - 8.6-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-3.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 7391 from cnoeabs.peaks (7.30, 1.83, 32.33 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HB3 LYS 19 OK 100 100 100 100 2.7-3.1 112=100, 111/1.8=93...(9) Violated in 0 structures by 0.00 A. Peak 7398 from cnoeabs.peaks (7.67, 4.09, 58.54 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 21 + HA LYS 20 OK 100 100 100 100 3.6-3.6 3.6=100 HE ARG 118 - HA LYS 20 far 0 100 0 - 7.4-15.3 Violated in 0 structures by 0.00 A. Peak 7399 from cnoeabs.peaks (7.67, 1.89, 31.98 ppm; 3.51 A): 2 out of 6 assignments used, quality = 1.00: H GLU 21 + HB3 LYS 20 OK 98 100 100 98 2.1-3.8 123/2.9=61, 120/3.0=54...(6) * H GLU 21 + HB2 LYS 20 OK 98 100 100 98 2.2-3.9 123/2.9=61, 120/3.0=54...(6) HE ARG 118 - HB2 LYS 20 far 0 100 0 - 6.5-15.1 H GLU 21 - HB2 LYS 16 far 0 65 0 - 7.1-8.3 H GLU 21 - HB3 LYS 16 far 0 69 0 - 7.4-8.6 HE ARG 118 - HB3 LYS 20 far 0 100 0 - 7.6-15.5 Violated in 0 structures by 0.00 A. Peak 7400 from cnoeabs.peaks (7.67, 1.89, 31.98 ppm; 3.51 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 21 + HB3 LYS 20 OK 98 100 100 98 2.1-3.8 123/2.9=61, 120/3.0=54...(6) H GLU 21 + HB2 LYS 20 OK 98 100 100 98 2.2-3.9 123/2.9=61, 120/3.0=54...(6) HE ARG 118 - HB2 LYS 20 far 0 100 0 - 6.5-15.1 H GLU 21 - HB2 LYS 16 far 0 65 0 - 7.1-8.3 H GLU 21 - HB3 LYS 16 far 0 69 0 - 7.4-8.6 HE ARG 118 - HB3 LYS 20 far 0 100 0 - 7.6-15.5 Violated in 0 structures by 0.00 A. Peak 7401 from cnoeabs.peaks (7.67, 1.51, 24.44 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 21 + HG2 LYS 20 OK 100 100 100 100 2.6-3.6 123=100, 124/1.8=86...(7) HE ARG 118 - HG2 LYS 20 far 0 100 0 - 8.1-15.7 Violated in 0 structures by 0.00 A. Peak 7402 from cnoeabs.peaks (7.67, 1.48, 24.44 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 21 + HG3 LYS 20 OK 100 100 100 100 2.7-4.4 124=100, 123/1.8=100...(6) HE ARG 118 - HG3 LYS 20 far 0 100 0 - 8.4-16.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7420 from cnoeabs.peaks (8.34, 4.43, 58.05 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 28 + HA TYR 27 OK 100 100 100 100 2.1-2.5 3.6=100 H PHE 51 - HA TYR 27 far 0 100 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-4.3 4.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.3 4.2=100 Violated in 0 structures by 0.00 A. Peak 7426 from cnoeabs.peaks (8.78, 4.50, 54.38 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + HA GLN 28 OK 100 100 100 100 2.1-2.5 158=100, 159/3.0=37...(8) H ILE 5 - HA GLN 28 far 0 90 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 7427 from cnoeabs.peaks (8.78, 2.06, 30.45 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 29 + HB2 GLN 28 OK 100 100 100 100 2.9-4.1 4.6=100 H ILE 18 - HB VAL 117 far 0 22 0 - 6.6-8.5 H ILE 5 - HB2 GLN 28 far 0 90 0 - 7.1-9.9 H ILE 5 - HB VAL 117 far 0 21 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 7428 from cnoeabs.peaks (8.78, 1.78, 30.45 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + HB3 GLN 28 OK 100 100 100 100 2.3-4.5 4.6=100 H ILE 5 - HB3 GLN 28 far 0 90 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 7429 from cnoeabs.peaks (8.78, 2.24, 33.72 ppm; 6.04 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 29 + HG2 GLN 28 OK 100 100 100 100 3.5-4.6 161=100, 158/3.8=99...(7) H ILE 5 - HG2 GLN 28 far 0 90 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 7431 from cnoeabs.peaks (9.13, 5.04, 61.49 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.98: * H ARG 30 + HA VAL 29 OK 98 100 100 98 2.1-2.2 3.6=88, 169/3.2=50...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.6 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-4.4 4.3=100 Violated in 0 structures by 0.00 A. Peak 7434 from cnoeabs.peaks (9.13, 0.80, 21.46 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + QG1 VAL 29 OK 100 100 100 100 2.9-3.5 169=100, 168/2.1=63...(4) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.8 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.0-4.4 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-5.8 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-5.5 4.8=100 Violated in 0 structures by 0.00 A. Peak 7441 from cnoeabs.peaks (8.38, 2.93, 42.86 ppm; 6.19 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + HD3 ARG 30 OK 100 100 100 100 3.9-5.1 177=100, 172/3.6=96...(7) Violated in 0 structures by 0.00 A. Peak 7442 from cnoeabs.peaks (8.44, 5.21, 53.37 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + HA ASP 31 OK 100 100 100 100 2.1-2.3 179=100, 11348/9570=31...(9) Violated in 0 structures by 0.00 A. Peak 7443 from cnoeabs.peaks (8.44, 2.47, 42.72 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 32 + HB2 ASP 31 OK 99 100 100 99 2.7-4.4 179/3.0=84, 4.5=83...(8) H VAL 32 + HB3 ASP 31 OK 99 100 100 99 3.8-4.3 179/3.0=84, 4.5=83...(8) Violated in 0 structures by 0.00 A. Peak 7444 from cnoeabs.peaks (8.44, 2.47, 42.72 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: H VAL 32 + HB2 ASP 31 OK 99 100 100 99 2.7-4.4 179/3.0=84, 4.5=83...(8) * H VAL 32 + HB3 ASP 31 OK 99 100 100 99 3.8-4.3 179/3.0=84, 4.5=83...(8) Violated in 0 structures by 0.00 A. Peak 7445 from cnoeabs.peaks (9.55, 4.25, 61.56 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + HA VAL 32 OK 100 100 100 100 2.1-2.1 183=100, 187/9322=46...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 7447 from cnoeabs.peaks (9.55, 0.87, 21.73 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + QG1 VAL 32 OK 100 100 100 100 2.7-2.9 185=100, 186/2.1=81...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 7449 from cnoeabs.peaks (7.62, 4.98, 53.40 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 34 + HA ASN 33 OK 100 100 100 100 3.2-3.4 3.6=100 H LEU 64 - HA ASN 33 far 0 92 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 7450 from cnoeabs.peaks (7.62, 2.91, 40.87 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 34 + HB2 ASN 33 OK 100 100 100 100 3.9-4.5 4.6=100 H LEU 64 - HB2 ASN 33 far 0 92 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.0 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 7453 from cnoeabs.peaks (8.87, 2.91, 42.40 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + HB2 ASP 34 OK 100 100 100 100 2.8-4.0 195=100, 196/1.8=97...(7) Violated in 0 structures by 0.00 A. Peak 7454 from cnoeabs.peaks (8.87, 3.09, 42.40 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + HB3 ASP 34 OK 100 100 100 100 2.7-3.7 196=100, 195/1.8=86...(5) Violated in 0 structures by 0.00 A. Peak 7455 from cnoeabs.peaks (8.39, 4.05, 61.45 ppm; 5.56 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 36 + HA SER 35 OK 100 100 100 100 3.4-3.6 3.6=100 H MET 67 + HA SER 35 OK 32 98 45 72 6.9-7.8 9699/11035=38...(5) Violated in 0 structures by 0.00 A. Peak 7456 from cnoeabs.peaks (8.39, 3.92, 62.76 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 36 + HB2 SER 35 OK 100 100 100 100 2.5-4.1 4.4=100 H MET 67 - HB2 SER 35 far 0 98 0 - 7.6-10.0 Violated in 0 structures by 0.00 A. Peak 7457 from cnoeabs.peaks (8.39, 3.95, 62.76 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + HB3 SER 35 OK 100 100 100 100 2.7-4.2 4.4=100 H MET 67 - HB3 SER 35 far 0 98 0 - 7.4-9.6 H MET 67 - HA ILE 97 far 0 55 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7459 from cnoeabs.peaks (9.01, 2.84, 40.28 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HB2 ASP 36 OK 100 100 100 100 2.6-3.7 203=100, 204/1.8=81...(5) Violated in 0 structures by 0.00 A. Peak 7460 from cnoeabs.peaks (9.01, 2.66, 40.28 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HB3 ASP 36 OK 100 100 100 100 3.4-3.8 204=100, 203/1.8=82...(4) Violated in 1 structures by 0.00 A. Peak 7461 from cnoeabs.peaks (8.20, 4.06, 59.21 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 38 + HA GLU 37 OK 100 100 100 100 3.4-3.5 3.6=100 H GLU 89 - HA GLU 91 far 0 32 0 - 6.7-7.4 H ASP 84 - HA GLU 91 far 0 59 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.0 4.7=100 Violated in 0 structures by 0.00 A. Peak 7463 from cnoeabs.peaks (8.20, 2.17, 29.72 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 38 + HB3 GLU 37 OK 99 100 100 99 2.7-4.1 4.7=99 Violated in 0 structures by 0.00 A. Peak 7464 from cnoeabs.peaks (8.20, 2.44, 36.55 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HG2 GLU 37 OK 100 100 100 100 3.0-5.3 208/3.0=100, 3.6/3505=99...(10) Violated in 0 structures by 0.00 A. Peak 7465 from cnoeabs.peaks (8.20, 2.73, 36.55 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HG3 GLU 37 OK 100 100 100 100 2.7-5.1 210=100, 208/3.0=95...(11) Violated in 0 structures by 0.00 A. Peak 7466 from cnoeabs.peaks (7.83, 3.91, 59.13 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA LEU 38 OK 100 100 100 100 3.5-3.5 3.6=100 HE21 GLN 62 - HA LEU 38 far 0 65 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 7467 from cnoeabs.peaks (7.83, 2.11, 41.07 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB2 LEU 38 OK 100 100 100 100 3.0-3.4 4.6=100 HE21 GLN 62 - HB2 LEU 38 far 0 65 0 - 6.8-12.0 Violated in 0 structures by 0.00 A. Peak 7468 from cnoeabs.peaks (7.83, 1.46, 41.07 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB3 LEU 38 OK 100 100 100 100 4.1-4.3 4.6=100 HE21 GLN 62 - HB3 LEU 38 far 0 65 0 - 7.6-12.1 Violated in 0 structures by 0.00 A. Peak 7469 from cnoeabs.peaks (7.83, 1.52, 27.18 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HG LEU 38 OK 100 100 100 100 3.0-3.5 215=100, 217/2.1=96...(11) HE21 GLN 62 - HG LEU 38 far 0 65 0 - 7.8-12.9 Violated in 0 structures by 0.00 A. Peak 7470 from cnoeabs.peaks (7.83, 0.89, 25.56 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + QD2 LEU 38 OK 100 100 100 100 1.9-2.5 217/2.1=79, 213/3.1=72...(17) HE21 GLN 62 - QD2 LEU 38 poor 13 65 20 - 4.8-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7473 from cnoeabs.peaks (7.78, 1.93, 32.05 ppm; 2.99 A): 2 out of 4 assignments used, quality = 0.97: * H LYS 40 + HB2 LYS 39 OK 94 100 100 94 2.2-4.0 220=37, 218/4.0=35...(17) H LYS 40 + HB3 LYS 39 OK 59 63 100 93 2.0-3.4 218/4.0=35, 4.3=34...(15) H LYS 96 - HB2 LYS 65 far 0 73 0 - 8.3-11.3 H LYS 96 - HB3 LYS 65 far 0 73 0 - 8.9-11.0 Violated in 5 structures by 0.02 A. Peak 7474 from cnoeabs.peaks (7.78, 1.95, 32.05 ppm; 3.04 A): 2 out of 4 assignments used, quality = 0.98: * H LYS 40 + HB3 LYS 39 OK 94 100 100 94 2.0-3.4 218/4.0=36, 4.3=36...(16) H LYS 40 + HB2 LYS 39 OK 58 63 100 93 2.2-4.0 218/4.0=36, 4.3=36...(16) H LYS 96 - HB2 LYS 65 far 0 38 0 - 8.3-11.3 H LYS 96 - HB3 LYS 65 far 0 35 0 - 8.9-11.0 Violated in 4 structures by 0.01 A. Peak 7475 from cnoeabs.peaks (7.78, 1.46, 25.42 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HG2 LYS 39 OK 100 100 100 100 1.6-4.8 222=92, 218/3588=83...(20) Violated in 0 structures by 0.00 A. Peak 7476 from cnoeabs.peaks (7.78, 1.70, 25.42 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HG3 LYS 39 OK 100 100 100 100 1.7-4.9 218/3598=85, 222/1.8=81...(19) Violated in 7 structures by 0.03 A. Peak 7477 from cnoeabs.peaks (7.78, 1.71, 29.31 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.95: * H LYS 40 + HD2 LYS 39 OK 83 100 85 98 3.7-5.6 222/3.0=50, 7476/3.0=47...(13) H LYS 40 + HD3 LYS 39 OK 69 100 70 98 3.5-5.9 222/3.0=50, 7476/3.0=47...(13) H LYS 40 - HD3 LYS 44 far 4 86 5 - 4.4-8.5 H LYS 40 - HD2 LYS 44 far 4 83 5 - 4.7-8.6 Violated in 14 structures by 0.12 A. Peak 7478 from cnoeabs.peaks (7.78, 1.70, 29.31 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.95: H LYS 40 + HD2 LYS 39 OK 83 100 85 98 3.7-5.6 222/3.0=50, 7476/3.0=47...(13) * H LYS 40 + HD3 LYS 39 OK 69 100 70 98 3.5-5.9 222/3.0=50, 7476/3.0=47...(13) H LYS 40 - HD3 LYS 44 far 4 87 5 - 4.4-8.5 H LYS 40 - HD2 LYS 44 far 4 85 5 - 4.7-8.6 Violated in 14 structures by 0.12 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7482 from cnoeabs.peaks (8.72, 1.99, 32.40 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HB2 LYS 40 OK 100 100 100 100 2.6-3.0 230=100, 228/1251=84...(10) Violated in 0 structures by 0.00 A. Peak 7483 from cnoeabs.peaks (8.72, 1.95, 32.40 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 41 + HB3 LYS 40 OK 100 100 100 100 3.9-4.1 230/1.8=97, 4.6=75...(9) H ASN 50 - HB3 LYS 40 far 0 100 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 7484 from cnoeabs.peaks (8.72, 1.38, 24.98 ppm; 5.24 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 41 + HG2 LYS 40 OK 100 100 100 100 4.0-5.4 5.0=100 H GLU 41 + HG3 LYS 43 OK 75 84 100 89 5.7-6.5 2047/1277=49, 232=45...(5) H ARG 105 - HG2 LYS 94 lone 2 29 70 11 4.2-8.3 4.4/3681=8, ~6394=2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.0-4.8 5.0=100 Violated in 0 structures by 0.00 A. Peak 7486 from cnoeabs.peaks (8.72, 1.68, 29.33 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 41 + HD2 LYS 40 OK 100 100 100 100 4.3-5.9 230/3.6=89, 7483/3.6=74...(9) H GLU 41 + HD3 LYS 40 OK 100 100 100 100 4.2-6.0 230/3.6=89, 7483/3.6=74...(10) Violated in 4 structures by 0.01 A. Peak 7487 from cnoeabs.peaks (8.72, 1.68, 29.33 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 41 + HD3 LYS 40 OK 100 100 100 100 4.2-6.0 230/3.6=89, 7483/3.6=74...(10) H GLU 41 + HD2 LYS 40 OK 100 100 100 100 4.3-5.9 230/3.6=89, 7483/3.6=74...(9) Violated in 4 structures by 0.01 A. Peak 7490 from cnoeabs.peaks (8.78, 4.26, 58.07 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * H MET 42 + HA GLU 41 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 5 - HA GLU 41 far 0 81 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 7491 from cnoeabs.peaks (8.78, 1.95, 28.25 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: * H MET 42 + HB2 GLU 41 OK 100 100 100 100 2.4-4.0 4.7=100 H MET 42 + HB3 GLU 41 OK 100 100 100 100 2.7-3.4 4.7=100 H ILE 5 - HB3 GLU 41 far 0 80 0 - 8.2-12.7 H ILE 5 - HB2 GLU 41 far 0 81 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 7492 from cnoeabs.peaks (8.78, 1.95, 28.25 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: * H MET 42 + HB3 GLU 41 OK 100 100 100 100 2.7-3.4 4.7=100 H MET 42 + HB2 GLU 41 OK 100 100 100 100 2.4-4.0 4.7=100 H ILE 5 - HB3 GLU 41 far 0 81 0 - 8.2-12.7 H ILE 5 - HB2 GLU 41 far 0 80 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 7493 from cnoeabs.peaks (8.78, 2.13, 34.90 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H MET 42 + HG2 GLU 41 OK 100 100 100 100 3.5-5.0 1886/1263=97, 243/1.8=84...(9) H ASN 59 - HG2 GLU 41 far 0 77 0 - 8.9-11.5 H ILE 5 - HG2 GLU 41 far 0 81 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-4.2 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7502 from cnoeabs.peaks (7.45, 1.91, 31.96 ppm; 3.16 A): 4 out of 4 assignments used, quality = 1.00: H LYS 44 + HB3 LYS 44 OK 95 97 100 99 2.2-3.6 4.0=48, 1286/2.9=47...(23) H LYS 44 + HB2 LYS 44 OK 93 94 100 99 2.2-3.6 4.0=48, 1286/2.9=47...(24) * H LYS 44 + HB2 LYS 43 OK 88 100 100 88 2.4-3.0 252/3.0=46, 1888/4.0=38...(12) H LYS 44 + HB3 LYS 43 OK 83 96 100 87 3.2-3.9 252/3.0=46, 1888/4.0=38...(8) Violated in 0 structures by 0.00 A. Peak 7503 from cnoeabs.peaks (7.45, 1.90, 31.96 ppm; 3.19 A): 4 out of 4 assignments used, quality = 1.00: H LYS 44 + HB3 LYS 44 OK 91 92 100 99 2.2-3.6 4.0=49, 1286/2.9=48...(23) * H LYS 44 + HB3 LYS 43 OK 87 100 100 87 3.2-3.9 252/3.0=46, 1888/4.0=39...(8) H LYS 44 + HB2 LYS 43 OK 85 96 100 88 2.4-3.0 252/3.0=46, 1888/4.0=39...(12) H LYS 44 + HB2 LYS 44 OK 76 77 100 99 2.2-3.6 4.0=49, 1286/2.9=48...(24) Violated in 0 structures by 0.00 A. Peak 7505 from cnoeabs.peaks (7.45, 1.37, 24.91 ppm; 5.70 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 44 + HG3 LYS 43 OK 100 100 100 100 4.6-5.0 1888/1277=93, 252/3.9=91...(9) H LYS 44 + HG2 LYS 40 OK 82 84 100 97 5.0-6.1 ~8045=72, ~8046=71...(8) Violated in 0 structures by 0.00 A. Peak 7510 from cnoeabs.peaks (8.16, 4.06, 59.50 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 45 + HA LYS 44 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 45 - HA GLU 37 far 0 59 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 7511 from cnoeabs.peaks (8.16, 1.91, 32.07 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 45 + HB2 LYS 44 OK 99 100 100 99 2.3-4.0 4.7=52, 1889/4.0=48...(19) H LEU 45 + HB3 LYS 44 OK 96 97 100 99 2.3-4.0 4.7=52, 1889/4.0=48...(15) H LEU 45 - HB2 LYS 43 poor 16 94 25 66 4.9-5.8 1889/4.7=39, 2057/4.0=26...(6) H ARG 95 - HB2 LYS 96 far 8 82 10 - 5.2-6.3 H LEU 45 - HB3 LYS 43 far 0 77 0 - 5.2-6.0 Violated in 0 structures by 0.00 A. Peak 7512 from cnoeabs.peaks (8.16, 1.91, 32.07 ppm; 3.73 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 45 + HB3 LYS 44 OK 99 100 100 99 2.3-4.0 4.7=52, 1889/4.0=48...(15) H LEU 45 + HB2 LYS 44 OK 96 97 100 99 2.3-4.0 4.7=52, 1889/4.0=48...(19) H LEU 45 - HB2 LYS 43 poor 16 97 25 66 4.9-5.8 1889/4.7=39, 2057/4.0=26...(6) H ARG 95 - HB2 LYS 96 far 10 97 10 - 5.2-6.3 H LEU 45 - HB3 LYS 43 far 0 92 0 - 5.2-6.0 H LEU 45 - HB2 LYS 73 far 0 75 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 7513 from cnoeabs.peaks (8.16, 1.58, 24.91 ppm; 5.83 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 45 + HG2 LYS 44 OK 100 100 100 100 1.6-4.7 265=100, 266/1.8=100...(14) H ARG 95 + HG3 LYS 96 OK 70 73 100 97 4.3-6.9 1938/5.1=79, 7514/1.8=37...(9) H LEU 45 - HG2 LYS 73 far 0 57 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 7514 from cnoeabs.peaks (8.16, 1.44, 24.91 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 45 + HG3 LYS 44 OK 100 100 100 100 3.4-4.6 266=100, 265/1.8=100...(12) H ARG 95 + HG2 LYS 96 OK 99 100 100 99 6.0-7.1 1938/1639=90...(8) Violated in 0 structures by 0.00 A. Peak 7519 from cnoeabs.peaks (7.64, 4.15, 57.19 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HA LEU 45 OK 100 100 100 100 3.6-3.6 3.6=100 HD21 ASN 50 - HA LEU 45 lone 1 99 30 3 2.6-9.5 7524/3996=1 Violated in 0 structures by 0.00 A. Peak 7520 from cnoeabs.peaks (7.64, 1.90, 41.77 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HB2 LEU 45 OK 100 100 100 100 2.1-2.3 4.3=100 HD21 ASN 50 - HB2 LEU 45 far 15 99 15 - 5.0-12.2 Violated in 0 structures by 0.00 A. Peak 7521 from cnoeabs.peaks (7.64, 1.49, 41.77 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HB3 LEU 45 OK 100 100 100 100 3.5-3.7 4.3=100 HD21 ASN 50 - HB3 LEU 45 lone 1 99 25 3 3.5-10.8 7524/3.1=1 Violated in 0 structures by 0.00 A. Peak 7522 from cnoeabs.peaks (7.64, 1.88, 26.77 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HG LEU 45 OK 100 100 100 100 3.6-4.1 4.9=100 HD21 ASN 50 - HG LEU 45 poor 20 99 20 - 5.0-12.4 Violated in 0 structures by 0.00 A. Peak 7523 from cnoeabs.peaks (7.64, 0.75, 25.49 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 46 + QD1 LEU 45 OK 100 100 100 100 2.9-4.4 276=100, 275/2.1=94...(9) H LEU 64 + QD1 LEU 63 OK 28 28 100 100 4.1-4.4 4.8=81, 387/3.1=61...(15) HD21 ASN 50 - QD1 LEU 45 lone 1 99 25 3 4.1-10.2 7524/2.1=1 HD21 ASN 10 - QD1 LEU 63 far 0 35 0 - 8.0-12.0 H GLU 69 - QD1 LEU 45 far 0 92 0 - 8.9-10.6 H GLU 69 - QD1 LEU 63 far 0 29 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 7524 from cnoeabs.peaks (7.64, 0.72, 23.70 ppm; 5.96 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + QD2 LEU 45 OK 100 100 100 100 4.1-4.6 275/2.1=100, 276/2.1=100...(9) HD21 ASN 50 - QD2 LEU 45 lone 3 99 60 4 2.2-8.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7526 from cnoeabs.peaks (7.71, 1.55, 18.88 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 47 + QB ALA 46 OK 100 100 100 100 2.7-3.1 280=100, 278/1301=63...(7) H LYS 73 - QB ALA 46 far 0 92 0 - 7.5-9.3 H LEU 70 - QB ALA 46 far 0 99 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7528 from cnoeabs.peaks (7.75, 2.06, 30.42 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 48 + HB2 GLU 47 OK 99 100 100 99 3.3-4.2 284/1.8=86, 4.6=78...(5) Violated in 0 structures by 0.00 A. Peak 7529 from cnoeabs.peaks (7.75, 2.11, 30.42 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + HB3 GLU 47 OK 100 100 100 100 2.6-3.1 284=100, 281/1305=79...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.7 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 7540 from cnoeabs.peaks (8.72, 1.46, 24.65 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: H ASN 50 + HG3 LYS 49 OK 94 100 100 94 3.3-5.6 3.6/4139=49, 4.4/4130=48...(5) * H ASN 50 + HG2 LYS 49 OK 94 100 100 94 3.6-5.9 3.6/4139=49, 4.4/4130=48...(5) Violated in 0 structures by 0.00 A. Peak 7541 from cnoeabs.peaks (8.72, 1.46, 24.65 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 50 + HG3 LYS 49 OK 94 100 100 94 3.3-5.6 3.6/4139=49, 4.4/4130=48...(5) H ASN 50 + HG2 LYS 49 OK 94 100 100 94 3.6-5.9 3.6/4139=49, 4.4/4130=48...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 7547 from cnoeabs.peaks (8.34, 2.71, 39.04 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 51 + HB2 ASN 50 OK 100 100 100 100 2.7-4.5 4.6=100 H PHE 51 + HB3 ASN 50 OK 100 100 100 100 2.1-4.5 4.6=100 H GLN 28 - HB3 ASN 50 far 0 100 0 - 8.3-14.2 H GLN 28 - HB2 ASN 50 far 0 100 0 - 8.8-14.7 Violated in 0 structures by 0.00 A. Peak 7548 from cnoeabs.peaks (8.34, 2.71, 39.04 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 51 + HB3 ASN 50 OK 100 100 100 100 2.1-4.5 4.6=100 H PHE 51 + HB2 ASN 50 OK 100 100 100 100 2.7-4.5 4.6=100 H GLN 28 - HB3 ASN 50 far 0 100 0 - 8.3-14.2 H GLN 28 - HB2 ASN 50 far 0 100 0 - 8.8-14.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7550 from cnoeabs.peaks (7.96, 1.66, 33.46 ppm; 6.14 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + HB2 GLU 52 OK 100 100 100 100 2.0-4.1 4.7=100 H GLY 125 - HB2 GLU 52 far 0 84 0 - 8.7-16.7 Violated in 0 structures by 0.00 A. Peak 7551 from cnoeabs.peaks (7.96, 1.95, 33.46 ppm; 5.71 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + HB3 GLU 52 OK 100 100 100 100 2.0-3.8 4.7=100 H GLY 125 - HB3 GLU 52 far 0 84 0 - 9.2-15.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.8 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 7565 from cnoeabs.peaks (9.10, 0.75, 17.84 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 55 + QG2 ILE 54 OK 98 100 100 98 2.0-2.9 325/3.2=62, 4.4=60...(13) Violated in 0 structures by 0.00 A. Peak 7568 from cnoeabs.peaks (9.10, 0.64, 13.41 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 55 + QD1 ILE 54 OK 100 100 100 100 3.0-4.7 7565/4407=89, 325/4.2=79...(12) H LEU 55 - QD1 ILE 5 poor 20 78 25 - 5.6-7.6 Violated in 0 structures by 0.00 A. Peak 7569 from cnoeabs.peaks (9.18, 5.64, 53.50 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HA LEU 55 OK 100 100 100 100 2.1-2.2 332=100, 1898/3.0=39...(15) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.4 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 7573 from cnoeabs.peaks (9.18, 0.68, 26.27 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 56 + QD1 LEU 55 OK 100 100 100 100 2.1-4.6 4.6=92, 335/2.1=83...(14) H ILE 56 + QD2 LEU 4 OK 43 55 100 77 4.0-5.8 1366/3.1=28, 332/4416=17...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-4.7 4.6=98, 335/2.1=85...(14) Violated in 3 structures by 0.01 A. Peak 7575 from cnoeabs.peaks (8.54, 5.06, 59.11 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + HA ILE 56 OK 100 100 100 100 2.2-2.3 339=100, 344/4459=44...(12) H LYS 19 - HA ILE 56 far 0 94 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 7577 from cnoeabs.peaks (8.54, 0.69, 17.09 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + QG2 ILE 56 OK 100 100 100 100 1.9-4.0 344/4473=77, 339/3.2=68...(14) H LYS 19 - QG2 ILE 56 far 0 94 0 - 9.9-10.8 Violated in 1 structures by 0.01 A. Peak 7578 from cnoeabs.peaks (8.54, 1.43, 27.65 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + HG12 ILE 56 OK 100 100 100 100 3.8-5.2 344/2.1=100, 343/1.8=94...(6) Violated in 0 structures by 0.00 A. Peak 7579 from cnoeabs.peaks (8.54, 0.96, 27.65 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + HG13 ILE 56 OK 100 100 100 100 2.1-4.9 343=100, 344/2.1=100...(6) Violated in 0 structures by 0.00 A. Peak 7580 from cnoeabs.peaks (8.54, 0.66, 12.57 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + QD1 ILE 56 OK 100 100 100 100 2.7-3.3 344=100, 7577/4473=97...(9) Violated in 0 structures by 0.00 A. Peak 7581 from cnoeabs.peaks (8.81, 4.91, 59.26 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H SER 58 + HA ILE 57 OK 100 100 100 100 2.2-2.3 3.6=100 H ASN 59 - HA ILE 57 far 0 73 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 7582 from cnoeabs.peaks (8.81, 1.82, 38.95 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H SER 58 + HB ILE 57 OK 100 100 100 100 2.9-4.1 4.4=100 H ASN 59 + HB ILE 57 OK 61 73 100 83 5.5-6.8 3.6/9606=63, 9612/2.1=51 Violated in 0 structures by 0.00 A. Peak 7583 from cnoeabs.peaks (8.81, 0.84, 17.77 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * H SER 58 + QG2 ILE 57 OK 100 100 100 100 1.9-3.3 348=100, 346/3.2=62...(12) H ASN 59 + QG2 ILE 57 OK 33 73 60 74 4.5-6.6 4.6/348=37, 4.5/11686=22...(8) H PHE 120 - QG2 ILE 57 far 0 73 0 - 9.3-13.0 H ILE 54 - QG2 ILE 57 far 0 98 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 7584 from cnoeabs.peaks (8.81, 1.46, 27.65 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * H SER 58 + HG12 ILE 57 OK 100 100 100 100 4.5-5.1 349=100, 348/3.2=89...(12) H ASN 59 - HG12 ILE 57 far 0 73 0 - 6.9-8.7 H ILE 54 - HG12 ILE 57 far 0 98 0 - 9.8-11.6 Violated in 10 structures by 0.07 A. Peak 7585 from cnoeabs.peaks (8.81, 0.86, 27.65 ppm; 6.20 A): 3 out of 5 assignments used, quality = 1.00: * H SER 58 + HG13 ILE 57 OK 100 100 100 100 4.2-5.5 348/3.2=100, 349/1.8=100...(11) H ILE 54 + HG13 ILE 5 OK 47 64 95 78 5.1-8.3 10802/1.8=28, ~2410=17...(10) H PHE 120 + HG13 ILE 5 OK 34 43 85 95 6.2-8.1 ~10558=51, 10553/2.1=44...(9) H ASN 59 - HG13 ILE 57 far 0 73 0 - 7.8-8.8 H ILE 54 - HG13 ILE 57 far 0 98 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7586 from cnoeabs.peaks (8.81, 0.71, 13.94 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H SER 58 + QD1 ILE 57 OK 100 100 100 100 4.4-5.0 348/3.0=87, 349/2.1=72...(9) H ASN 59 - QD1 ILE 57 far 4 73 5 - 5.6-7.7 H ILE 54 - QD1 ILE 57 far 0 98 0 - 7.9-10.5 Violated in 19 structures by 0.28 A. Peak 7587 from cnoeabs.peaks (8.79, 5.01, 56.73 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 59 + HA SER 58 OK 100 100 100 100 2.2-2.5 353=100, 354/3.0=37...(7) H SER 58 + HA SER 58 OK 73 73 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7588 from cnoeabs.peaks (8.79, 3.78, 66.61 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 SER 58 OK 100 100 100 100 3.5-4.3 354=97, 353/3.0=82...(6) H SER 58 + HB2 SER 58 OK 73 73 100 100 2.8-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 7589 from cnoeabs.peaks (8.79, 3.42, 66.61 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 59 + HB3 SER 58 OK 100 100 100 100 2.4-4.3 4.5=88, 353/3.0=84...(7) H SER 58 + HB3 SER 58 OK 73 73 100 100 2.8-3.8 4.0=100 H MET 42 - HB3 SER 58 far 0 77 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.3 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.5 4.3=100 Violated in 0 structures by 0.00 A. Peak 7596 from cnoeabs.peaks (8.43, 3.72, 59.63 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 62 + HA LYS 61 OK 100 100 100 100 3.4-3.5 3.6=100 H GLN 83 - HA LYS 61 far 0 100 0 - 8.1-9.3 H ASN 10 - HA LYS 61 far 0 98 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 7597 from cnoeabs.peaks (8.43, 1.52, 31.52 ppm; 5.82 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 62 + HB2 LYS 61 OK 100 100 100 100 3.0-4.3 4.6=100 H ASN 10 - HB2 LYS 61 far 0 98 0 - 8.6-10.6 H GLN 83 - HB2 LYS 61 far 0 100 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 7598 from cnoeabs.peaks (8.43, 1.43, 31.52 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 62 + HB3 LYS 61 OK 100 100 100 100 2.7-4.1 4.6=100 H ASN 10 - HB3 LYS 61 far 0 98 0 - 8.1-10.5 H GLN 83 - HB3 LYS 61 far 0 100 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 7599 from cnoeabs.peaks (8.43, 1.03, 24.91 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 62 + HG2 LYS 61 OK 100 100 100 100 2.0-4.9 370=100, 368/3.0=96...(5) H ASN 10 - HG2 LYS 61 poor 20 98 20 - 7.0-11.6 H GLN 83 - HG2 LYS 61 far 10 100 10 - 6.8-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7606 from cnoeabs.peaks (7.67, 2.17, 27.45 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 63 + HB2 GLN 62 OK 100 100 100 100 2.7-4.3 4.6=77, 377/3.0=76...(10) H LEU 63 + HB3 GLN 62 OK 100 100 100 100 3.1-4.3 4.6=77, 377/3.0=76...(10) Violated in 0 structures by 0.00 A. Peak 7607 from cnoeabs.peaks (7.67, 2.17, 27.45 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: H LEU 63 + HB2 GLN 62 OK 100 100 100 100 2.7-4.3 4.6=77, 377/3.0=76...(10) * H LEU 63 + HB3 GLN 62 OK 100 100 100 100 3.1-4.3 4.6=77, 377/3.0=76...(10) Violated in 0 structures by 0.00 A. Peak 7608 from cnoeabs.peaks (7.67, 2.41, 33.72 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 63 + HG2 GLN 62 OK 98 100 100 98 2.0-3.9 377/3.9=61, 1905/5.2=45...(13) H LEU 63 + HG3 GLN 62 OK 98 100 100 98 2.1-4.9 377/3.9=61, 1905/5.2=45...(13) HE ARG 118 - HG2 GLN 122 poor 11 71 35 44 4.4-8.4 11170/3.5=44 Violated in 0 structures by 0.00 A. Peak 7609 from cnoeabs.peaks (7.67, 2.41, 33.72 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: H LEU 63 + HG2 GLN 62 OK 98 100 100 98 2.0-3.9 377/3.9=61, 1905/5.2=45...(13) * H LEU 63 + HG3 GLN 62 OK 98 100 100 98 2.1-4.9 377/3.9=61, 1905/5.2=45...(13) HE ARG 118 - HG2 GLN 122 poor 11 73 35 44 4.4-8.4 11170/3.5=44 Violated in 0 structures by 0.00 A. Peak 7610 from cnoeabs.peaks (7.63, 4.13, 56.64 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HA LEU 63 OK 100 100 100 100 3.6-3.6 3.6=100 H ASP 34 - HA LEU 63 far 0 92 0 - 6.9-8.1 H GLU 69 - HA LEU 63 far 0 100 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 7611 from cnoeabs.peaks (7.63, 1.87, 40.89 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 63 OK 100 100 100 100 2.3-2.6 4.6=100 H ASP 34 - HB2 LEU 63 far 0 92 0 - 6.2-7.1 HD21 ASN 10 - HB2 LEU 63 far 0 77 0 - 8.9-13.5 H GLU 69 - HB2 LEU 63 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 7612 from cnoeabs.peaks (7.63, 1.43, 40.89 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 63 OK 100 100 100 100 2.8-3.2 387=100, 384/1411=74...(13) H ASP 34 - HB3 LEU 63 far 0 92 0 - 5.7-6.6 H GLU 69 - HB3 LEU 63 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 7614 from cnoeabs.peaks (7.63, 0.71, 22.93 ppm; 4.29 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 63 OK 100 100 100 100 4.4-4.6 390/2.1=81, 384/1413=73...(13) H ASP 34 + QD2 LEU 63 OK 91 92 100 99 3.2-5.2 3.0/11262=60...(9) H GLU 69 - QD2 LEU 63 far 0 100 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 7615 from cnoeabs.peaks (7.63, 0.74, 25.21 ppm; 4.03 A): 3 out of 11 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 63 OK 100 100 100 100 4.1-4.4 390=100, 384/1414=64...(16) H ASP 34 + QD1 LEU 63 OK 92 92 100 100 2.5-3.5 3.0/11263=66...(12) H ALA 46 + QD1 LEU 45 OK 28 28 100 100 2.9-4.4 275/2.1=73, 273/3.1=60...(9) H LEU 64 - QD2 LEU 6 poor 17 84 20 - 4.7-6.0 H GLU 69 - QD2 LEU 6 far 8 84 10 - 5.2-6.5 HD21 ASN 50 - QD1 LEU 45 poor 6 32 20 - 4.1-10.2 HD21 ASN 10 - QD1 LEU 63 far 0 77 0 - 8.0-12.0 H LEU 74 - QD2 LEU 6 far 0 51 0 - 8.6-10.2 H GLU 69 - QD1 LEU 45 far 0 36 0 - 8.9-10.6 H ASP 34 - QD2 LEU 6 far 0 72 0 - 9.1-10.5 H GLU 69 - QD1 LEU 63 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 7616 from cnoeabs.peaks (8.04, 3.91, 57.78 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 65 + HA LEU 64 OK 100 100 100 100 3.5-3.6 3.6=100 H THR 9 - HA LEU 64 far 0 98 0 - 7.9-8.9 H SER 72 - HA LEU 64 far 0 77 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 7617 from cnoeabs.peaks (8.04, 1.79, 41.35 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + HB2 LEU 64 OK 100 100 100 100 2.4-4.2 4.2=100 H THR 9 - HB2 LEU 64 poor 10 98 40 25 5.8-7.5 7620/4781=15, 8101/8097=11 Violated in 0 structures by 0.00 A. Peak 7618 from cnoeabs.peaks (8.04, 1.63, 41.35 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + HB3 LEU 64 OK 100 100 100 100 2.4-3.8 4.2=100 H THR 9 - HB3 LEU 64 far 5 98 5 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 7619 from cnoeabs.peaks (8.04, 1.64, 26.77 ppm; 4.20 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 65 + HG LEU 64 OK 99 100 100 99 3.1-4.6 397/2.1=53, 396/2.1=48...(12) H LEU 90 + HG LEU 90 OK 92 92 100 100 2.3-4.6 1594=91, 1595/2.1=68...(10) H THR 9 - HG LEU 64 far 0 98 0 - 6.2-8.9 H VAL 22 - HG LEU 114 far 0 87 0 - 6.9-10.0 H ARG 118 - HG LEU 114 far 0 70 0 - 6.9-8.0 H ASP 109 - HG LEU 114 far 0 86 0 - 8.0-11.7 H ASP 109 - HG LEU 90 far 0 99 0 - 8.0-10.9 H SER 72 - HG LEU 64 far 0 77 0 - 9.0-11.7 H THR 9 - HG LEU 114 far 0 83 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 7620 from cnoeabs.peaks (8.04, 0.81, 24.93 ppm; 4.82 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 65 + QD1 LEU 64 OK 100 100 100 100 1.8-4.7 4.7=100 H THR 9 + QD1 LEU 64 OK 33 98 35 98 4.9-7.2 37/11688=69, 39/9104=58...(10) H ARG 118 - QD1 LEU 114 poor 13 50 25 - 4.2-7.4 H VAL 22 - QD1 LEU 114 far 7 65 10 - 5.7-7.4 H ASP 109 - QD1 LEU 114 far 0 65 0 - 8.1-9.9 H SER 72 - QD1 LEU 64 far 0 77 0 - 8.4-10.2 H THR 9 - QD1 LEU 114 far 0 61 0 - 9.1-11.6 H GLN 122 - QD1 LEU 114 far 0 40 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 7621 from cnoeabs.peaks (8.04, 0.78, 24.57 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 65 + QD2 LEU 64 OK 100 100 100 100 1.8-3.7 4.7=100 H THR 9 - QD2 LEU 64 far 0 98 0 - 6.8-7.6 H SER 72 - QD2 LEU 64 far 0 77 0 - 7.0-9.9 Violated in 0 structures by 0.00 A. Peak 7622 from cnoeabs.peaks (7.80, 3.79, 60.23 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 66 + HA LYS 65 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 96 - HA LYS 65 far 0 70 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 7623 from cnoeabs.peaks (7.80, 1.93, 32.27 ppm; 2.86 A): 2 out of 5 assignments used, quality = 0.99: * H GLU 66 + HB2 LYS 65 OK 92 100 100 92 2.1-4.1 400=45, 402/2.9=31...(12) H GLU 66 + HB3 LYS 65 OK 89 100 100 89 2.9-3.8 400=43, 400/1.8=32...(12) H LYS 96 - HB2 LYS 65 far 0 70 0 - 8.3-11.3 H LYS 96 - HB3 LYS 65 far 0 69 0 - 8.9-11.0 H GLU 66 - HB2 LYS 39 far 0 79 0 - 9.2-11.9 Violated in 3 structures by 0.02 A. Peak 7624 from cnoeabs.peaks (7.80, 1.93, 32.27 ppm; 2.86 A): 2 out of 5 assignments used, quality = 0.99: H GLU 66 + HB2 LYS 65 OK 92 100 100 92 2.1-4.1 401=45, 402/2.9=31...(12) * H GLU 66 + HB3 LYS 65 OK 89 100 100 89 2.9-3.8 401=43, 400/1.8=32...(12) H LYS 96 - HB2 LYS 65 far 0 69 0 - 8.3-11.3 H LYS 96 - HB3 LYS 65 far 0 70 0 - 8.9-11.0 H GLU 66 - HB2 LYS 39 far 0 79 0 - 9.2-11.9 Violated in 3 structures by 0.02 A. Peak 7625 from cnoeabs.peaks (7.80, 1.55, 24.91 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 66 + HG2 LYS 65 OK 100 100 100 100 1.8-4.4 402=100, 3.6/4797=63...(12) H LYS 96 - HG2 LYS 65 far 0 70 0 - 8.7-11.7 Violated in 11 structures by 0.03 A. Peak 7626 from cnoeabs.peaks (7.80, 1.34, 24.91 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 66 + HG3 LYS 65 OK 100 100 100 100 3.4-4.9 403=96, 402/1.8=96...(11) H LYS 96 - HG3 LYS 65 far 0 70 0 - 7.4-10.6 Violated in 5 structures by 0.02 A. 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 100 100 100 100 3.5-3.6 3.6=100 H LYS 123 + HA LYS 123 OK 91 91 100 100 2.7-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 7632 from cnoeabs.peaks (8.39, 2.04, 29.26 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H MET 67 + HB2 GLU 66 OK 100 100 100 100 2.7-4.1 4.1=100 H ASP 36 - HB2 GLU 66 far 0 98 0 - 8.6-10.7 H MET 67 - HB3 GLN 100 far 0 89 0 - 9.8-11.4 Violated in 2 structures by 0.00 A. Peak 7633 from cnoeabs.peaks (8.39, 2.09, 29.26 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H MET 67 + HB3 GLU 66 OK 100 100 100 100 2.6-3.6 411=100, 3.6/4896=69...(11) H MET 67 - HB3 GLU 69 far 0 92 0 - 6.2-7.4 H ASP 36 - HB3 GLU 66 far 0 98 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 7634 from cnoeabs.peaks (8.39, 2.39, 36.01 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + HG2 GLU 66 OK 100 100 100 100 2.9-5.0 5.0=100 H ASP 36 - HG2 GLU 66 far 0 98 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 7635 from cnoeabs.peaks (8.39, 2.19, 36.01 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + HG3 GLU 66 OK 100 100 100 100 2.4-5.1 5.0=98, 411/4910=97...(13) H ASP 36 - HG3 GLU 66 far 0 98 0 - 8.2-9.2 Violated in 17 structures by 0.06 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 7640 from cnoeabs.peaks (8.47, 2.40, 32.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HG3 MET 67 OK 100 100 100 100 2.0-4.9 419=100, 7641/3.3=88...(13) Violated in 0 structures by 0.00 A. Peak 7641 from cnoeabs.peaks (8.47, 1.88, 16.76 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + QE MET 67 OK 100 100 100 100 3.7-4.8 3.6/4949=78, 414/4948=70...(11) Violated in 0 structures by 0.00 A. Peak 7642 from cnoeabs.peaks (7.63, 3.78, 57.94 ppm; 5.79 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 69 + HA LEU 68 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 74 - HA LEU 68 far 0 65 0 - 7.3-7.9 H LEU 64 - HA LEU 68 far 0 100 0 - 8.0-8.6 H GLN 100 - HA LEU 68 far 0 99 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 7643 from cnoeabs.peaks (7.63, 1.75, 40.88 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 69 + HB2 LEU 68 OK 100 100 100 100 2.5-3.0 423=100, 424/1.8=76...(6) H LYS 115 + HB2 LEU 114 OK 60 60 100 99 2.8-4.4 4.3=77, 7883/1.8=63...(14) H LEU 64 - HB2 LEU 68 far 0 100 0 - 6.5-8.3 H GLN 100 - HB2 LEU 68 far 0 99 0 - 8.1-9.4 H LEU 74 - HB2 LEU 68 far 0 65 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 7644 from cnoeabs.peaks (7.63, 1.38, 40.88 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 69 + HB3 LEU 68 OK 100 100 100 100 2.7-3.4 424=100, 423/1.8=84...(5) H LEU 64 - HB3 LEU 68 far 0 100 0 - 6.6-8.8 H GLN 100 - HB3 LEU 68 far 0 99 0 - 7.2-9.3 H LEU 74 - HB3 LEU 68 far 0 65 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 7645 from cnoeabs.peaks (7.63, 1.59, 26.45 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + HG LEU 68 OK 100 100 100 100 4.5-5.0 423/3.0=100, 421/1449=99...(8) H LEU 64 + HG LEU 68 OK 94 100 100 94 6.0-6.8 ~11053=56, ~9754=56...(6) H GLN 100 - HG LEU 68 far 0 99 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 7646 from cnoeabs.peaks (7.63, 0.51, 25.27 ppm; 6.20 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 69 + QD1 LEU 68 OK 100 100 100 100 4.3-4.7 4.9=100 H LEU 64 + QD1 LEU 68 OK 100 100 100 100 5.2-6.4 1417/11071=91...(9) H GLN 100 + QD1 LEU 68 OK 30 99 100 30 5.8-6.7 11311/9753=18...(3) H LEU 74 - QD1 LEU 68 far 0 65 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 7647 from cnoeabs.peaks (7.63, 0.38, 23.07 ppm; 6.20 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 69 + QD2 LEU 68 OK 100 100 100 100 4.3-4.7 4.9=100 H LEU 64 + QD2 LEU 68 OK 100 100 100 100 6.9-7.7 1417/11074=86...(11) H GLN 100 + QD2 LEU 68 OK 21 99 55 39 6.7-8.1 6269/11489=20...(3) H LEU 74 - QD2 LEU 68 lone 10 65 85 18 7.1-8.1 9802/9747=9, 1491/9775=8 Violated in 0 structures by 0.00 A. Peak 7648 from cnoeabs.peaks (7.72, 4.05, 59.42 ppm; 3.77 A): 3 out of 3 assignments used, quality = 1.00: * H LEU 70 + HA GLU 69 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 47 + HA LYS 44 OK 90 91 100 98 3.4-3.7 2074=73, 1305/8092=52...(8) H LYS 73 + HA GLU 69 OK 81 98 95 87 3.5-5.4 2127=54, 448/2122=43...(6) Violated in 0 structures by 0.00 A. Peak 7649 from cnoeabs.peaks (7.72, 2.20, 29.14 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB2 GLU 69 OK 100 100 100 100 2.5-4.2 431/1.8=87, 428/1454=73...(9) H LYS 73 - HB2 GLU 69 far 5 98 5 - 5.6-7.0 H LYS 73 - HB2 GLN 100 far 0 80 0 - 7.8-11.3 H LEU 70 - HB2 GLN 100 far 0 84 0 - 8.4-10.2 Violated in 1 structures by 0.00 A. Peak 7650 from cnoeabs.peaks (7.72, 2.09, 29.14 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 GLU 69 OK 100 100 100 100 3.1-4.0 431=99, 3.6/5000=62...(8) H LYS 73 - HB3 GLU 69 poor 16 98 30 55 4.9-6.4 2127/5000=42...(4) H LEU 70 - HB3 GLU 66 far 0 92 0 - 5.4-6.9 Violated in 17 structures by 0.12 A. Peak 7651 from cnoeabs.peaks (7.72, 2.27, 36.01 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 70 + HG2 GLU 69 OK 99 100 100 99 2.0-4.9 431/5013=71, 3.6/5016=67...(6) H LYS 73 - HG2 GLU 69 far 5 98 5 - 4.6-8.2 Violated in 17 structures by 0.19 A. Peak 7652 from cnoeabs.peaks (7.72, 2.44, 36.01 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HG3 GLU 69 OK 100 100 100 100 2.4-5.3 7651/1.8=95, 431/5024=91...(6) H LYS 73 - HG3 GLU 69 poor 17 98 25 70 5.8-8.0 2127/5022=65, 7650/5024=13 Violated in 17 structures by 0.12 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7654 from cnoeabs.peaks (8.60, 1.94, 41.94 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 71 + HB2 LEU 70 OK 100 100 100 100 2.8-3.6 4.5=100 H ALA 124 - HB2 LEU 127 far 4 77 5 - 5.6-7.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 7656 from cnoeabs.peaks (8.60, 1.85, 26.77 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 71 + HG LEU 70 OK 100 100 100 100 4.6-5.0 7657/2.1=100...(10) H ALA 124 + HG LEU 127 OK 81 82 100 100 4.2-5.7 ~10653=81, ~8322=64...(11) Violated in 0 structures by 0.00 A. Peak 7657 from cnoeabs.peaks (8.60, 0.91, 25.18 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + QD1 LEU 70 OK 100 100 100 100 4.1-4.5 4.7=71, 3.6/5056=67...(10) Violated in 18 structures by 0.12 A. 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 100 100 100 100 4.8-5.0 4.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7660 from cnoeabs.peaks (8.02, 1.90, 37.90 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H SER 72 + HB ILE 71 OK 100 100 100 100 2.4-3.6 4.5=100 H LYS 65 - HB ILE 71 far 0 77 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 7661 from cnoeabs.peaks (8.02, 0.82, 18.37 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H SER 72 + QG2 ILE 71 OK 100 100 100 100 3.1-4.4 4.1=100 H LYS 65 - QG2 ILE 71 far 0 77 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 7662 from cnoeabs.peaks (8.02, 1.69, 28.69 ppm; 5.40 A): 3 out of 10 assignments used, quality = 1.00: * H SER 72 + HG12 ILE 71 OK 100 100 100 100 2.5-4.7 446/1.8=74, 441/4.6=74...(16) H SER 72 + HD2 LYS 73 OK 37 83 60 75 4.6-8.0 448/6.4=48, 443/3.8=21...(9) H SER 72 + HD3 LYS 73 OK 25 78 45 71 3.9-7.6 448/6.4=48, 443/3.8=21...(7) H VAL 22 - HD3 LYS 20 poor 20 66 30 - 5.8-7.8 H VAL 22 - HD2 LYS 20 lone 0 69 55 1 5.5-7.5 H LYS 65 - HG12 ILE 71 far 0 77 0 - 8.4-9.7 H SER 72 - HD3 LYS 43 far 0 78 0 - 9.0-12.1 H LYS 65 - HD3 LYS 96 far 0 38 0 - 9.1-12.3 H GLY 26 - HD2 LYS 20 far 0 91 0 - 9.6-14.9 H LYS 65 - HD2 LYS 96 far 0 32 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 7665 from cnoeabs.peaks (7.72, 4.37, 61.37 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + HA SER 72 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 70 - HA SER 72 far 0 98 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 7666 from cnoeabs.peaks (7.72, 4.12, 62.78 ppm; 4.68 A): 4 out of 4 assignments used, quality = 1.00: H LYS 73 + HB3 SER 72 OK 100 100 100 100 2.6-3.1 4.6=100 * H LYS 73 + HB2 SER 72 OK 100 100 100 100 3.6-4.3 4.6=100 H LEU 70 + HB3 SER 72 OK 76 98 100 78 4.6-5.9 2114/4.0=49, 3.6/8153=45 H LEU 70 + HB2 SER 72 OK 53 98 75 72 5.0-6.5 2114/4.0=49, 3.6/8153=44 Violated in 0 structures by 0.00 A. Peak 7667 from cnoeabs.peaks (7.72, 4.12, 62.78 ppm; 4.68 A): 4 out of 4 assignments used, quality = 1.00: * H LYS 73 + HB3 SER 72 OK 100 100 100 100 2.6-3.1 4.6=100 H LYS 73 + HB2 SER 72 OK 100 100 100 100 3.6-4.3 4.6=100 H LEU 70 + HB3 SER 72 OK 76 98 100 78 4.6-5.9 2114/4.0=49, 3.6/8153=45 H LEU 70 + HB2 SER 72 OK 53 98 75 72 5.0-6.5 2114/4.0=49, 3.6/8153=44 Violated in 0 structures by 0.00 A. Peak 7668 from cnoeabs.peaks (7.61, 4.29, 57.48 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + HA LYS 73 OK 100 100 100 100 3.4-3.6 3.6=100 H GLU 69 - HA LYS 73 far 0 65 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. Peak 7669 from cnoeabs.peaks (7.61, 1.90, 32.15 ppm; 3.04 A): 3 out of 11 assignments used, quality = 0.99: * H LEU 74 + HB2 LYS 73 OK 85 100 100 85 2.5-4.4 4.3=34, 456/2.9=33...(9) H LEU 74 + HB3 LYS 73 OK 83 100 100 83 3.1-4.1 4.3=34, 456/2.9=33...(9) H LYS 16 + HB3 LYS 16 OK 57 60 100 95 2.9-3.6 1106/3.0=48, 4.0=43...(12) H GLN 100 - HB2 LYS 96 far 0 70 0 - 5.5-6.4 H GLU 69 - HB3 LYS 73 far 0 65 0 - 6.5-9.9 H LYS 16 - HB3 LYS 20 far 0 81 0 - 7.1-9.5 H LYS 16 - HB2 LYS 20 far 0 81 0 - 7.9-9.1 H GLU 69 - HB2 LYS 73 far 0 65 0 - 8.1-9.5 H GLU 69 - HB2 LYS 96 far 0 56 0 - 8.5-10.4 H LEU 74 - HB3 LYS 43 far 0 78 0 - 9.2-12.2 H LEU 74 - HB2 LYS 43 far 0 57 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 7670 from cnoeabs.peaks (7.61, 1.89, 32.15 ppm; 3.04 A): 4 out of 12 assignments used, quality = 1.00: H LEU 74 + HB2 LYS 73 OK 85 100 100 85 2.5-4.4 4.3=34, 456/2.9=33...(9) * H LEU 74 + HB3 LYS 73 OK 83 100 100 83 3.1-4.1 4.3=34, 456/2.9=33...(9) H LYS 16 + HB3 LYS 16 OK 62 65 100 95 2.9-3.6 1106/3.0=48, 4.0=43...(12) H LYS 16 + HB2 LYS 16 OK 57 60 100 95 2.8-3.5 1106/3.0=48, 4.0=43...(12) H GLN 100 - HB2 LYS 96 far 0 67 0 - 5.5-6.4 H GLU 69 - HB3 LYS 73 far 0 65 0 - 6.5-9.9 H LYS 16 - HB3 LYS 20 far 0 83 0 - 7.1-9.5 H LYS 16 - HB2 LYS 20 far 0 83 0 - 7.9-9.1 H GLU 69 - HB2 LYS 73 far 0 65 0 - 8.1-9.5 H GLU 69 - HB2 LYS 96 far 0 53 0 - 8.5-10.4 H LEU 74 - HB3 LYS 43 far 0 76 0 - 9.2-12.2 H LEU 74 - HB2 LYS 43 far 0 52 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 7671 from cnoeabs.peaks (7.61, 1.60, 24.91 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 74 + HG2 LYS 73 OK 99 100 100 99 3.0-4.4 456=70, 452/1480=68...(10) H GLU 69 - HG2 LYS 73 far 0 65 0 - 6.3-10.1 Violated in 1 structures by 0.00 A. Peak 7672 from cnoeabs.peaks (7.61, 1.48, 24.91 ppm; 5.95 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 74 + HG3 LYS 73 OK 100 100 100 100 2.1-5.2 7671/1.8=100...(17) H GLU 69 - HG3 LYS 73 far 7 65 10 - 7.3-11.2 Violated in 0 structures by 0.00 A. Peak 7673 from cnoeabs.peaks (7.61, 1.68, 28.78 ppm; 5.07 A): 4 out of 15 assignments used, quality = 1.00: * H LEU 74 + HD2 LYS 73 OK 99 100 100 99 3.1-5.9 7671/3.0=80, 7672/3.0=53...(17) H LEU 74 + HD3 LYS 73 OK 99 100 100 99 2.8-6.1 7671/3.0=80, 7672/3.0=53...(13) H LEU 74 + HG12 ILE 71 OK 65 83 95 82 5.7-6.9 9790/3.9=60, 80/2.1=20...(7) H GLU 69 + HG12 ILE 71 OK 41 47 100 87 4.1-6.0 4.9/11075=48...(7) H GLU 69 - HD3 LYS 73 far 3 65 5 - 6.4-10.2 H LYS 16 - HD3 LYS 20 lone 1 98 30 4 6.3-10.0 3.0/2726=3 H LEU 74 - HD3 LYS 43 far 0 100 0 - 6.8-10.4 H GLN 100 - HD2 LYS 96 far 0 71 0 - 6.8-8.3 H GLU 69 - HD2 LYS 73 far 0 65 0 - 7.2-11.2 H GLN 100 - HD3 LYS 96 far 0 73 0 - 7.2-9.4 H LYS 16 - HD2 LYS 20 far 0 98 0 - 7.4-11.2 H LEU 74 - HD2 LYS 43 far 0 96 0 - 7.6-11.9 H LEU 64 - HG12 ILE 71 far 0 50 0 - 9.4-10.0 H GLU 69 - HD3 LYS 43 far 0 65 0 - 9.8-12.7 H GLU 69 - HD2 LYS 43 far 0 58 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 7674 from cnoeabs.peaks (7.61, 1.68, 28.78 ppm; 5.07 A): 4 out of 15 assignments used, quality = 1.00: H LEU 74 + HD2 LYS 73 OK 99 100 100 99 3.1-5.9 7671/3.0=80, 7672/3.0=53...(17) * H LEU 74 + HD3 LYS 73 OK 99 100 100 99 2.8-6.1 7671/3.0=80, 7672/3.0=53...(13) H LEU 74 + HG12 ILE 71 OK 61 78 95 82 5.7-6.9 9790/3.9=60, 80/2.1=20...(7) H GLU 69 + HG12 ILE 71 OK 38 44 100 85 4.1-6.0 4.9/11075=47...(7) H GLU 69 - HD3 LYS 73 far 3 65 5 - 6.4-10.2 H LYS 16 - HD3 LYS 20 lone 1 98 30 4 6.3-10.0 3.0/2726=3 H LEU 74 - HD3 LYS 43 far 0 100 0 - 6.8-10.4 H GLN 100 - HD2 LYS 96 far 0 72 0 - 6.8-8.3 H GLU 69 - HD2 LYS 73 far 0 65 0 - 7.2-11.2 H GLN 100 - HD3 LYS 96 far 0 74 0 - 7.2-9.4 H LYS 16 - HD2 LYS 20 far 0 97 0 - 7.4-11.2 H LEU 74 - HD2 LYS 43 far 0 97 0 - 7.6-11.9 H LEU 64 - HG12 ILE 71 far 0 47 0 - 9.4-10.0 H GLU 69 - HD3 LYS 43 far 0 65 0 - 9.8-12.7 H GLU 69 - HD2 LYS 43 far 0 61 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.5 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.1 4.4=100 Violated in 0 structures by 0.00 A. 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 97 100 100 3.8-4.1 4.7=100 Violated in 0 structures by 0.00 A. Peak 7691 from cnoeabs.peaks (7.83, 4.55, 55.07 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + HA LYS 77 OK 100 100 100 100 2.2-2.2 481=100, 485/4.0=26...(10) Violated in 0 structures by 0.00 A. Peak 7692 from cnoeabs.peaks (7.83, 1.84, 32.22 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 78 + HB2 LYS 77 OK 100 100 100 100 4.3-4.6 4.3=96, 481/3.0=82...(7) H VAL 78 + HB3 LYS 77 OK 100 100 100 100 4.2-4.6 4.3=96, 481/3.0=82...(7) H TYR 27 - HB3 LYS 19 far 0 55 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 7694 from cnoeabs.peaks (7.83, 1.35, 24.49 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 78 + HG2 LYS 77 OK 100 100 100 100 5.0-5.2 485/1.8=91, 481/4.0=87...(8) H ILE 97 - HG2 LYS 94 poor 17 41 65 63 5.5-7.5 8213/4.0=60, 1650/11288=8 Violated in 6 structures by 0.01 A. Peak 7695 from cnoeabs.peaks (7.83, 1.17, 24.49 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + HG3 LYS 77 OK 100 100 100 100 3.4-4.1 485=100, 481/4.0=84...(9) Violated in 0 structures by 0.00 A. Peak 7696 from cnoeabs.peaks (7.83, 1.62, 28.20 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 78 + HD2 LYS 77 OK 97 100 100 97 3.3-5.3 485/3.0=53, 486=51...(7) H VAL 78 + HD3 LYS 77 OK 97 100 100 97 2.6-5.5 485/3.0=53, 486=49...(7) Violated in 0 structures by 0.00 A. Peak 7697 from cnoeabs.peaks (7.83, 1.62, 28.20 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: H VAL 78 + HD2 LYS 77 OK 97 100 100 97 3.3-5.3 485/3.0=53, 487=51...(7) * H VAL 78 + HD3 LYS 77 OK 97 100 100 97 2.6-5.5 485/3.0=53, 487=49...(7) Violated in 0 structures by 0.00 A. Peak 7700 from cnoeabs.peaks (8.37, 5.17, 60.23 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HA VAL 78 OK 100 100 100 100 2.2-2.3 491=100, 7703/3.2=43...(12) Violated in 0 structures by 0.00 A. Peak 7701 from cnoeabs.peaks (8.37, 1.56, 34.35 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 79 + HB VAL 78 OK 100 100 100 100 3.7-4.1 4.4=100 H MET 67 - HB VAL 78 far 0 57 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 7702 from cnoeabs.peaks (8.37, 0.72, 22.14 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 79 + QG2 VAL 78 OK 100 100 100 100 3.6-3.9 4.1=100 H MET 67 - QG2 VAL 78 far 0 57 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 7703 from cnoeabs.peaks (8.37, 0.61, 21.11 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 79 + QG1 VAL 78 OK 100 100 100 100 1.9-2.1 4.1=75, 491/3.2=65...(18) H MET 67 - QG1 VAL 78 far 0 57 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 7704 from cnoeabs.peaks (8.60, 4.57, 55.95 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 80 + HA PHE 79 OK 100 100 100 100 2.3-2.4 3.6=100 H ALA 124 - HA PHE 79 far 0 100 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 7705 from cnoeabs.peaks (8.60, 1.04, 40.18 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 80 + HB2 PHE 79 OK 100 100 100 100 2.5-3.8 4.5=100 H ALA 124 + HB2 PHE 79 OK 99 100 100 99 6.5-7.5 ~4646=74, ~10627=66...(5) Violated in 0 structures by 0.00 A. Peak 7706 from cnoeabs.peaks (8.60, 2.08, 40.18 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 80 + HB3 PHE 79 OK 100 100 100 100 2.5-3.7 4.5=100 H ALA 124 + HB3 PHE 79 OK 99 100 100 99 6.6-7.5 ~4646=74, ~10627=66...(6) Violated in 0 structures by 0.00 A. Peak 7710 from cnoeabs.peaks (9.06, 5.55, 54.00 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 81 + HA LEU 80 OK 100 100 100 100 2.1-2.2 504=100, 506/3.0=41...(11) H LEU 4 - HA LEU 80 far 0 65 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.4 4.2=100 Violated in 0 structures by 0.00 A. Peak 7712 from cnoeabs.peaks (9.06, 1.29, 45.67 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 81 + HB3 LEU 80 OK 100 100 100 100 3.3-4.4 4.2=100 H LEU 4 - HB3 LEU 80 far 0 65 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 7714 from cnoeabs.peaks (9.06, 0.78, 27.66 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 81 + QD2 LEU 80 OK 100 100 100 100 1.9-4.6 5.0=100 H LEU 4 - QD2 LEU 80 far 3 65 5 - 7.4-11.9 Violated in 0 structures by 0.00 A. Peak 7715 from cnoeabs.peaks (9.06, 0.78, 25.50 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 81 + QD1 LEU 80 OK 99 100 100 99 1.9-4.1 504/5503=60, 506/3.1=53...(15) H LEU 4 - QD1 LEU 80 far 0 65 0 - 8.9-11.1 Violated in 5 structures by 0.02 A. Peak 7716 from cnoeabs.peaks (8.86, 5.27, 53.06 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HA LEU 81 OK 100 100 100 100 2.1-2.2 511=100, 7720/5538=49...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 7719 from cnoeabs.peaks (8.86, 1.35, 27.36 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HG LEU 81 OK 100 100 100 100 3.1-3.3 7720/2.1=96, 516/2.1=80...(9) Violated in 0 structures by 0.00 A. Peak 7720 from cnoeabs.peaks (8.86, 0.79, 24.93 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 82 + QD1 LEU 81 OK 98 100 100 98 3.5-3.9 511/5538=60, 516/2.1=44...(10) Violated in 18 structures by 0.13 A. Peak 7722 from cnoeabs.peaks (8.44, 4.91, 53.13 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 83 + HA LEU 82 OK 100 100 100 100 2.2-2.4 3.6=100 H ASN 10 - HA LEU 82 far 0 100 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 7724 from cnoeabs.peaks (8.44, 1.74, 44.22 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 83 + HB3 LEU 82 OK 100 100 100 100 2.6-3.6 4.5=100 H ASN 10 - HB3 LEU 82 lone 1 100 65 2 6.3-8.5 H GLN 62 - HB3 LEU 82 far 0 100 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 7725 from cnoeabs.peaks (8.44, 1.60, 26.76 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 83 + HG LEU 82 OK 100 100 100 100 4.6-4.9 522/2.1=93, 519/5574=85...(8) H ASN 10 - HG LEU 82 far 0 100 0 - 8.1-9.7 Violated in 20 structures by 0.18 A. Peak 7726 from cnoeabs.peaks (8.44, 0.82, 23.86 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 83 + QD2 LEU 82 OK 100 100 100 100 2.4-3.7 522=100, 518/5580=72...(10) H ASN 10 - QD2 LEU 82 poor 20 100 20 - 5.2-8.1 H GLN 62 - QD2 LEU 82 far 0 100 0 - 7.4-11.0 Violated in 0 structures by 0.00 A. Peak 7728 from cnoeabs.peaks (8.21, 5.26, 54.59 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 84 + HA GLN 83 OK 100 100 100 100 2.1-2.2 3.6=100 H GLU 111 - HA GLN 83 far 0 96 0 - 8.7-10.0 H GLU 89 - HA GLN 83 far 0 73 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 7729 from cnoeabs.peaks (8.21, 2.21, 29.87 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + HB2 GLN 83 OK 100 100 100 100 4.1-4.5 4.4=100 H GLU 111 - HB2 GLN 83 far 0 96 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 7731 from cnoeabs.peaks (8.21, 2.34, 33.72 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + HG2 GLN 83 OK 100 100 100 100 2.6-3.4 528=100, 525/3.9=80...(10) H GLU 111 - HG2 GLN 83 far 0 96 0 - 7.0-8.5 Violated in 0 structures by 0.00 A. Peak 7732 from cnoeabs.peaks (8.21, 2.12, 33.72 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 84 + HG3 GLN 83 OK 100 100 100 100 3.5-4.9 528/1.8=100, 525/3.9=98...(11) H GLU 111 + HG3 GLN 83 OK 22 96 85 27 5.9-8.8 10295/6547=11...(4) Violated in 0 structures by 0.00 A. Peak 7733 from cnoeabs.peaks (8.62, 4.50, 54.02 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 85 + HA ASP 84 OK 100 100 100 100 2.1-2.3 533=100, 534/3.0=34...(5) H THR 108 - HA ASP 84 far 0 84 0 - 6.9-7.8 H ASN 8 - HA ASP 84 far 0 70 0 - 9.5-10.8 H LYS 94 - HA ASP 84 far 0 90 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 7734 from cnoeabs.peaks (8.62, 2.59, 43.77 ppm; 5.64 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 85 + HB2 ASP 84 OK 100 100 100 100 2.9-4.2 4.6=100 H LYS 94 - HB2 ASP 84 far 4 90 5 - 7.1-9.4 H THR 108 - HB2 ASP 84 far 4 84 5 - 6.9-7.9 H ASN 8 - HB2 ASP 84 far 0 70 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 7735 from cnoeabs.peaks (8.62, 2.66, 43.77 ppm; 5.22 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 85 + HB3 ASP 84 OK 100 100 100 100 2.9-4.4 4.6=100 H THR 108 - HB3 ASP 84 far 0 84 0 - 7.1-9.1 H LYS 94 - HB3 ASP 84 far 0 90 0 - 7.2-9.3 H ASN 8 - HB3 ASP 84 far 0 70 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 7736 from cnoeabs.peaks (8.69, 4.33, 56.59 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 86 + HA GLN 85 OK 100 100 100 100 3.2-3.6 3.6=100 H ASP 110 - HA GLN 85 far 0 99 0 - 7.2-9.2 Violated in 0 structures by 0.00 A. Peak 7737 from cnoeabs.peaks (8.69, 2.17, 29.33 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.99: * H ASP 86 + HB2 GLN 85 OK 99 100 100 99 2.8-3.9 538=70, 537/3.0=59...(7) H ARG 105 - HB2 GLU 98 far 0 68 0 - 6.1-9.4 H ASP 110 - HB2 GLN 85 far 0 99 0 - 8.7-10.7 Violated in 8 structures by 0.05 A. Peak 7738 from cnoeabs.peaks (8.69, 2.04, 29.33 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.99: * H ASP 86 + HB3 GLN 85 OK 99 100 100 99 2.1-4.5 7737/1.8=69, 539=57...(9) H ASP 86 + HB2 GLU 89 OK 38 98 90 43 3.9-7.1 539=25, 1570/9309=14...(4) H ASP 86 - HB3 GLU 89 far 0 98 0 - 5.5-7.0 H ASP 86 - HB3 GLU 87 far 0 73 0 - 5.7-7.2 H ARG 105 - HB3 GLU 98 far 0 44 0 - 6.4-8.8 H ASP 110 - HB3 GLN 85 far 0 99 0 - 8.0-10.9 H ARG 105 - HB3 GLN 100 far 0 60 0 - 9.6-13.0 Violated in 13 structures by 0.12 A. Peak 7739 from cnoeabs.peaks (8.69, 2.41, 33.72 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 86 + HG2 GLN 85 OK 100 100 100 100 4.1-5.3 7737/3.0=77, 537/3.9=67...(6) H ASP 86 + HG3 GLN 85 OK 99 100 100 100 3.1-5.5 7737/3.0=77, 537/3.9=67...(7) H ASP 110 - HG3 GLN 85 far 0 98 0 - 6.4-10.8 H ASP 110 - HG2 GLN 85 far 0 99 0 - 6.8-10.2 Violated in 15 structures by 0.03 A. Peak 7740 from cnoeabs.peaks (8.69, 2.40, 33.72 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 86 + HG3 GLN 85 OK 100 100 100 100 3.1-5.5 7737/3.0=77, 537/3.9=67...(7) H ASP 86 + HG2 GLN 85 OK 99 100 100 100 4.1-5.3 7737/3.0=77, 537/3.9=67...(6) H ASP 110 - HG3 GLN 85 far 0 99 0 - 6.4-10.8 H ASP 110 - HG2 GLN 85 far 0 98 0 - 6.8-10.2 Violated in 15 structures by 0.03 A. Peak 7741 from cnoeabs.peaks (8.64, 4.68, 53.51 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HA ASP 86 OK 100 100 100 100 2.1-2.4 545=100, 7743/3.0=30...(5) Violated in 0 structures by 0.00 A. Peak 7742 from cnoeabs.peaks (8.64, 2.93, 40.96 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HB2 ASP 86 OK 100 100 100 100 2.4-4.4 546=91, 545/3.0=85...(8) Violated in 4 structures by 0.03 A. Peak 7743 from cnoeabs.peaks (8.64, 2.57, 40.96 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HB3 ASP 86 OK 100 100 100 100 3.4-4.3 547=94, 545/3.0=84...(4) Violated in 9 structures by 0.02 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7745 from cnoeabs.peaks (8.53, 2.09, 29.57 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + HB2 GLU 87 OK 100 100 100 100 2.8-3.9 550=100, 7746/1.8=84...(6) Violated in 0 structures by 0.00 A. Peak 7746 from cnoeabs.peaks (8.53, 2.04, 29.57 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 88 + HB3 GLU 87 OK 100 100 100 100 2.3-4.1 550/1.8=88, 551=82...(8) H ASN 88 - HB3 GLN 85 far 0 73 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 7747 from cnoeabs.peaks (8.53, 2.29, 36.01 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: H ASN 88 + HG3 GLU 87 OK 100 100 100 100 1.8-4.1 550/3.0=75, 5.0=70...(9) * H ASN 88 + HG2 GLU 87 OK 100 100 100 100 1.9-4.0 550/3.0=75, 5.0=70...(9) Violated in 0 structures by 0.00 A. Peak 7748 from cnoeabs.peaks (8.53, 2.29, 36.01 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 88 + HG3 GLU 87 OK 100 100 100 100 1.8-4.1 550/3.0=75, 5.0=70...(9) H ASN 88 + HG2 GLU 87 OK 100 100 100 100 1.9-4.0 550/3.0=75, 5.0=70...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 4.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.9 4.2=100 Violated in 0 structures by 0.00 A. Peak 7752 from cnoeabs.peaks (8.05, 4.15, 58.25 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 90 + HA GLU 89 OK 98 100 100 98 3.5-3.6 3.6=80, 1932/3.0=46...(10) Violated in 20 structures by 0.23 A. Peak 7753 from cnoeabs.peaks (8.05, 2.04, 29.24 ppm; 3.40 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 90 + HB2 GLU 89 OK 94 100 100 94 2.2-4.0 7752/3.0=54, 4.7=39...(9) H LEU 90 + HB3 GLU 89 OK 93 100 100 93 3.3-4.0 7752/3.0=54, 4.7=39...(7) H LYS 65 + HB2 GLU 66 OK 47 94 70 72 4.4-6.5 1908/1434=45...(6) H ASP 109 - HB3 GLN 85 far 0 85 0 - 6.9-9.4 H LEU 90 - HB3 GLN 85 far 0 98 0 - 7.0-9.1 H LYS 65 - HB3 GLN 100 far 0 80 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7754 from cnoeabs.peaks (8.05, 2.04, 29.24 ppm; 3.40 A): 3 out of 6 assignments used, quality = 1.00: H LEU 90 + HB2 GLU 89 OK 94 100 100 94 2.2-4.0 7752/3.0=54, 4.7=39...(9) * H LEU 90 + HB3 GLU 89 OK 93 100 100 93 3.3-4.0 7752/3.0=54, 4.7=39...(7) H LYS 65 + HB2 GLU 66 OK 47 94 70 72 4.4-6.5 1908/1434=45...(6) H ASP 109 - HB3 GLN 85 far 0 85 0 - 6.9-9.4 H LEU 90 - HB3 GLN 85 far 0 98 0 - 7.0-9.1 H LYS 65 - HB3 GLN 100 far 0 80 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7755 from cnoeabs.peaks (8.05, 2.26, 36.01 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 90 + HG2 GLU 89 OK 98 100 100 98 2.6-4.9 7756/1.8=70, 7752/3.8=67...(6) H LEU 90 + HG3 GLU 92 OK 41 100 60 68 5.0-6.8 7752/5749=36...(6) H ASP 109 - HG3 GLU 111 far 12 82 15 - 5.2-9.5 H LYS 65 - HG2 GLU 69 far 0 73 0 - 6.0-9.2 Violated in 14 structures by 0.04 A. Peak 7756 from cnoeabs.peaks (8.05, 2.31, 36.01 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 90 + HG3 GLU 89 OK 97 100 100 97 2.0-4.5 7752/3.8=63...(7) H LEU 90 - HG2 GLU 92 poor 15 97 25 60 5.0-7.8 7752/5750=32...(6) Violated in 8 structures by 0.04 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.3 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-4.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 7760 from cnoeabs.peaks (7.94, 1.64, 26.77 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HG LEU 90 OK 100 100 100 100 3.2-4.6 570=100, 571/2.1=97...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-4.6 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 7763 from cnoeabs.peaks (8.09, 4.07, 59.13 ppm; 3.66 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 92 + HA GLU 91 OK 100 100 100 100 3.5-3.6 3.6=100 H PHE 93 + HA GLU 91 OK 46 77 100 60 4.5-5.0 4.6/574=37, 4.6/2154=32...(4) H SER 99 + HA LYS 96 OK 46 57 100 81 3.5-4.5 2178=59, 4.0/8229=25...(5) H PHE 93 - HA LYS 96 far 0 47 0 - 7.1-7.8 H GLU 92 - HA LYS 96 far 0 70 0 - 8.6-9.4 H SER 99 - HA GLU 91 far 0 90 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 7764 from cnoeabs.peaks (8.09, 2.13, 28.97 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 92 + HB2 GLU 91 OK 99 100 100 99 2.2-2.9 7765/1.8=73, 575=61...(13) H PHE 93 - HB2 GLU 91 far 0 77 0 - 5.2-5.6 Violated in 0 structures by 0.00 A. Peak 7765 from cnoeabs.peaks (8.09, 2.07, 28.97 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 92 + HB3 GLU 91 OK 99 100 100 99 2.9-3.6 7764/1.8=70, 574/5830=54...(11) H PHE 93 - HB3 GLU 91 far 0 77 0 - 5.5-6.1 H SER 99 - HB3 GLU 91 far 0 90 0 - 9.5-10.2 Violated in 10 structures by 0.03 A. Peak 7766 from cnoeabs.peaks (8.09, 2.42, 35.05 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 92 + HG2 GLU 91 OK 100 100 100 100 4.1-5.2 7765/3.0=100...(13) H PHE 93 + HG2 GLU 91 OK 23 77 100 29 6.4-7.5 7763/5821=24, 7767/1.8=6 Violated in 0 structures by 0.00 A. Peak 7767 from cnoeabs.peaks (8.09, 2.29, 35.05 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 92 + HG3 GLU 91 OK 100 100 100 100 3.8-4.9 7765/5834=96...(14) H PHE 93 - HG3 GLU 91 poor 7 77 30 28 6.5-7.5 7763/4.2=18, 7766/1.8=11 Violated in 0 structures by 0.00 A. Peak 7768 from cnoeabs.peaks (8.10, 4.03, 59.25 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 93 + HA GLU 92 OK 100 100 100 100 3.6-3.6 3.6=100 H GLU 92 + HA GLU 92 OK 77 77 100 100 2.7-2.7 3.0=100 H VAL 117 - HA GLU 119 far 0 31 0 - 6.6-6.9 H GLU 128 - HA LYS 123 far 0 52 0 - 7.0-8.1 H SER 99 - HA GLU 92 far 0 99 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 7769 from cnoeabs.peaks (8.10, 2.05, 28.93 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 93 + HB2 GLU 92 OK 100 100 100 100 2.1-3.7 581=100, 582/1.8=75...(9) H GLU 92 + HB2 GLU 92 OK 76 77 100 99 2.2-3.6 4.0=54, 3.0/5854=38...(22) H SER 99 - HB3 GLN 100 poor 11 56 20 - 4.2-6.5 H ALA 113 - HB2 GLU 13 far 0 35 0 - 8.5-10.5 H SER 99 - HB2 GLU 92 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7770 from cnoeabs.peaks (8.10, 2.11, 28.93 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 93 + HB3 GLU 92 OK 100 100 100 100 2.2-3.4 582=100, 581/1.8=77...(8) H GLU 92 + HB3 GLU 92 OK 75 77 100 98 2.2-3.6 4.0=51, 1608/5864=32...(18) H VAL 117 - HB2 GLU 119 far 0 47 0 - 4.7-5.5 H VAL 117 - HB3 GLU 119 far 0 56 0 - 6.5-7.0 H SER 99 - HB3 GLU 92 far 0 99 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 7771 from cnoeabs.peaks (8.10, 2.32, 36.01 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * H PHE 93 + HG2 GLU 92 OK 99 100 100 99 1.9-4.7 582/5868=74, 581/3.0=69...(8) H GLU 92 + HG2 GLU 92 OK 77 77 100 100 3.0-3.9 1607=62, 4.0/5868=55...(22) H GLU 92 - HG3 GLU 89 far 0 72 0 - 5.6-7.1 H PHE 93 - HG3 GLU 89 far 0 97 0 - 6.3-8.4 H SER 99 - HG3 GLU 103 far 0 62 0 - 8.5-11.0 H VAL 117 - HG3 GLU 103 far 0 34 0 - 9.3-14.0 Violated in 1 structures by 0.00 A. Peak 7772 from cnoeabs.peaks (8.10, 2.27, 36.01 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: * H PHE 93 + HG3 GLU 92 OK 100 100 100 100 2.0-4.6 581/5858=81, 582/5864=76...(8) H GLU 92 + HG3 GLU 92 OK 77 77 100 100 2.0-4.0 1608=70, 4.0/5858=60...(25) H ALA 113 - HG3 GLU 111 poor 15 74 20 - 4.5-7.2 H GLU 92 - HG2 GLU 89 far 0 76 0 - 5.9-7.3 H PHE 93 - HG2 GLU 89 far 0 100 0 - 6.1-8.1 H SER 99 - HG2 GLU 103 far 0 56 0 - 8.6-11.6 H VAL 117 - HG3 GLU 111 far 0 62 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 7773 from cnoeabs.peaks (8.61, 4.34, 60.45 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 94 + HA PHE 93 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 94 - HA SER 99 far 0 99 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 7774 from cnoeabs.peaks (8.61, 3.29, 38.99 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 94 + HB2 PHE 93 OK 100 100 100 100 2.5-4.1 4.3=100 H GLN 85 - HB2 PHE 93 far 0 90 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 7775 from cnoeabs.peaks (8.61, 3.04, 38.99 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 94 + HB3 PHE 93 OK 100 100 100 100 2.5-3.7 4.3=100 H LYS 49 - HB2 PHE 51 far 0 87 0 - 6.9-10.0 H LEU 80 - HB3 PHE 93 far 0 99 0 - 9.7-12.7 H GLN 85 - HB3 PHE 93 far 0 90 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.8 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 7784 from cnoeabs.peaks (8.16, 1.54, 30.10 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 95 + HD2 LYS 94 OK 100 100 100 100 3.4-6.0 596/3.6=95, 598/3.0=94...(10) H ARG 95 + HD3 LYS 94 OK 100 100 100 100 3.9-6.1 596/3.6=95, 598/3.0=94...(9) Violated in 0 structures by 0.00 A. Peak 7785 from cnoeabs.peaks (8.16, 1.54, 30.10 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: H ARG 95 + HD2 LYS 94 OK 100 100 100 100 3.4-6.0 596/3.6=95, 598/3.0=94...(10) * H ARG 95 + HD3 LYS 94 OK 100 100 100 100 3.9-6.1 596/3.6=95, 598/3.0=94...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7789 from cnoeabs.peaks (7.79, 1.90, 29.82 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + HB2 ARG 95 OK 100 100 100 100 2.6-4.2 4.6=89, 607/6027=88...(15) Violated in 0 structures by 0.00 A. Peak 7790 from cnoeabs.peaks (7.79, 1.97, 29.82 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + HB3 ARG 95 OK 100 100 100 100 3.2-4.3 607/6035=82, 4.6=78...(15) Violated in 1 structures by 0.00 A. Peak 7791 from cnoeabs.peaks (7.79, 1.88, 27.31 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + HG2 ARG 95 OK 100 100 100 100 2.1-3.9 607=100, 1938/1631=91...(16) Violated in 0 structures by 0.00 A. Peak 7792 from cnoeabs.peaks (7.79, 1.68, 27.31 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + HG3 ARG 95 OK 100 100 100 100 2.3-4.8 607/1.8=99, 3.6/6020=81...(12) Violated in 4 structures by 0.00 A. Peak 7794 from cnoeabs.peaks (7.79, 3.22, 43.41 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 96 + HD3 ARG 95 OK 100 100 100 100 4.1-5.9 607/2.9=100, 7792/2.9=93...(12) H LYS 96 + HD2 ARG 95 OK 100 100 100 100 4.5-6.1 607/2.9=100, 7792/2.9=93...(10) Violated in 0 structures by 0.00 A. Peak 7795 from cnoeabs.peaks (7.83, 4.07, 58.93 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 97 + HA LYS 96 OK 100 100 100 100 3.6-3.6 3.6=94, 1939/2.9=65...(9) H LYS 39 + HA GLU 37 OK 51 57 100 91 4.1-4.6 218/2040=64, 1883/3.6=44...(7) H ILE 97 - HA GLU 91 far 0 70 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 7796 from cnoeabs.peaks (7.83, 1.90, 32.07 ppm; 3.38 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 97 + HB2 LYS 96 OK 100 100 100 100 2.1-2.6 613=92, 7797/1.8=76...(9) H LYS 39 - HB2 LYS 43 far 0 90 0 - 6.1-6.9 H LYS 39 - HB3 LYS 44 far 0 97 0 - 7.4-10.1 H LYS 39 - HB2 LYS 44 far 0 82 0 - 7.5-10.1 H LYS 39 - HB3 LYS 43 far 0 96 0 - 7.7-8.5 H VAL 78 - HB3 LYS 123 far 0 43 0 - 8.7-9.4 H TYR 27 - HB2 LYS 20 far 0 53 0 - 9.1-11.5 H TYR 27 - HB3 LYS 20 far 0 53 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 7797 from cnoeabs.peaks (7.83, 1.97, 32.07 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + HB3 LYS 96 OK 100 100 100 100 2.5-3.4 614=91, 7796/1.8=64...(10) Violated in 6 structures by 0.04 A. Peak 7798 from cnoeabs.peaks (7.83, 1.44, 24.91 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HG2 LYS 96 OK 100 100 100 100 4.5-4.7 7797/2.9=86, 7796/2.9=83...(11) H LYS 39 - HG3 LYS 44 far 0 100 0 - 7.1-9.7 Violated in 20 structures by 0.20 A. Peak 7799 from cnoeabs.peaks (7.83, 1.57, 24.91 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HG3 LYS 96 OK 100 100 100 100 3.8-4.7 7797/2.9=85, 7796/2.9=82...(11) H LYS 39 - HG2 LYS 44 far 0 73 0 - 7.4-8.9 Violated in 14 structures by 0.18 A. Peak 7800 from cnoeabs.peaks (7.83, 1.68, 28.89 ppm; 4.26 A): 2 out of 9 assignments used, quality = 1.00: * H ILE 97 + HD2 LYS 96 OK 100 100 100 100 4.5-5.1 7797/3.4=73, 7796/3.4=70...(9) H ILE 97 + HD3 LYS 96 OK 100 100 100 100 4.8-5.5 7797/3.4=73, 7796/3.4=70...(9) H VAL 78 - HG12 ILE 71 far 2 50 5 - 5.5-8.1 H LYS 39 - HD3 LYS 43 far 0 95 0 - 7.8-9.5 H LYS 39 - HD2 LYS 43 far 0 96 0 - 8.1-9.5 H TYR 27 - HD2 LYS 20 far 0 64 0 - 9.3-12.5 H LYS 39 - HG12 ILE 71 far 0 49 0 - 9.6-12.4 H VAL 78 - HD3 LYS 73 far 0 95 0 - 9.7-13.7 H TYR 27 - HD3 LYS 20 far 0 67 0 - 9.8-13.3 Violated in 19 structures by 0.12 A. Peak 7801 from cnoeabs.peaks (7.83, 1.68, 28.89 ppm; 4.26 A): 2 out of 9 assignments used, quality = 1.00: * H ILE 97 + HD3 LYS 96 OK 100 100 100 100 4.8-5.5 7797/3.4=73, 7796/3.4=70...(9) H ILE 97 + HD2 LYS 96 OK 100 100 100 100 4.5-5.1 7797/3.4=73, 7796/3.4=70...(9) H VAL 78 - HG12 ILE 71 far 3 58 5 - 5.5-8.1 H LYS 39 - HD3 LYS 43 far 0 96 0 - 7.8-9.5 H LYS 39 - HD2 LYS 43 far 0 93 0 - 8.1-9.5 H TYR 27 - HD2 LYS 20 far 0 69 0 - 9.3-12.5 H LYS 39 - HG12 ILE 71 far 0 58 0 - 9.6-12.4 H VAL 78 - HD3 LYS 73 far 0 96 0 - 9.7-13.7 H TYR 27 - HD3 LYS 20 far 0 71 0 - 9.8-13.3 Violated in 19 structures by 0.12 A. Peak 7804 from cnoeabs.peaks (8.67, 3.94, 62.57 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HA ILE 97 OK 100 100 100 100 3.4-3.6 3.6=100 H VAL 104 - HA ILE 97 far 0 61 0 - 6.8-8.0 Violated in 0 structures by 0.00 A. Peak 7805 from cnoeabs.peaks (8.67, 1.81, 37.21 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HB ILE 97 OK 100 100 100 100 2.3-3.2 4.4=100 H VAL 104 + HB ILE 97 OK 45 61 85 87 4.7-6.2 3.9/11508=53...(6) Violated in 0 structures by 0.00 A. Peak 7806 from cnoeabs.peaks (8.67, 0.68, 18.75 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + QG2 ILE 97 OK 100 100 100 100 2.6-4.1 4.1=100 H VAL 104 + QG2 ILE 97 OK 59 61 100 96 3.6-5.2 3.9/10230=56...(9) Violated in 0 structures by 0.00 A. Peak 7807 from cnoeabs.peaks (8.67, 1.00, 27.27 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HG12 ILE 97 OK 100 100 100 100 4.1-5.5 625=100, 623/2.9=99...(9) H VAL 104 - HG12 ILE 97 poor 18 61 30 - 6.2-8.7 Violated in 0 structures by 0.00 A. Peak 7809 from cnoeabs.peaks (8.67, 0.36, 11.90 ppm; 5.33 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + QD1 ILE 97 OK 100 100 100 100 3.9-5.0 623/3.2=87, 3.6/6197=86...(14) H VAL 104 + QD1 ILE 97 OK 35 61 60 96 6.2-7.8 3.9/10229=68...(8) Violated in 0 structures by 0.00 A. Peak 7810 from cnoeabs.peaks (8.10, 4.34, 58.95 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H SER 99 + HA GLU 98 OK 100 100 100 100 3.5-3.6 3.6=100 H PHE 93 - HA GLU 98 far 0 99 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 7811 from cnoeabs.peaks (8.10, 2.18, 29.43 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H SER 99 + HB2 GLU 98 OK 100 100 100 100 2.3-4.1 4.3=100 H PHE 93 - HB2 GLU 98 far 0 99 0 - 8.8-10.5 H GLU 92 - HB2 GLU 98 far 0 90 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 7812 from cnoeabs.peaks (8.10, 2.05, 29.43 ppm; 3.26 A): 1 out of 10 assignments used, quality = 0.96: * H SER 99 + HB3 GLU 98 OK 96 100 100 96 2.6-3.5 630/1.8=50, 4.3=43...(12) H SER 99 - HB3 GLN 100 poor 14 72 20 - 4.2-6.5 H PHE 93 - HB3 GLU 89 poor 10 49 20 - 4.5-7.3 H GLU 92 - HB2 GLU 89 far 0 40 0 - 5.0-6.1 H GLU 92 - HB3 GLU 89 far 0 40 0 - 5.1-6.1 H PHE 93 - HB2 GLU 89 far 0 49 0 - 5.3-6.7 H GLU 92 - HB3 GLU 87 far 0 47 0 - 6.9-8.7 H PHE 93 - HB3 GLU 98 far 0 99 0 - 7.9-9.3 H GLU 92 - HB3 GLU 98 far 0 90 0 - 8.6-10.3 H PHE 93 - HB3 GLU 87 far 0 57 0 - 9.3-10.6 Violated in 4 structures by 0.03 A. Peak 7813 from cnoeabs.peaks (8.10, 2.38, 36.43 ppm; 5.26 A): 1 out of 3 assignments used, quality = 1.00: * H SER 99 + HG2 GLU 98 OK 100 100 100 100 2.6-4.9 4.9=100 H PHE 93 - HG2 GLU 98 far 0 99 0 - 8.0-11.9 H GLU 92 - HG2 GLU 98 far 0 90 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 7814 from cnoeabs.peaks (8.10, 2.44, 36.43 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H SER 99 + HG3 GLU 98 OK 100 100 100 100 4.0-5.1 4.9=100 H PHE 93 - HG3 GLU 98 far 0 99 0 - 7.8-11.2 H GLU 92 - HG3 GLU 98 far 0 90 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 7815 from cnoeabs.peaks (7.62, 4.34, 60.41 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 100 + HA SER 99 OK 100 100 100 100 3.4-3.5 3.6=100 H GLN 100 - HA PHE 93 far 0 99 0 - 8.2-9.4 HD21 ASN 10 - HA PHE 93 far 0 63 0 - 10.0-15.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.2 4.5=100 * H GLN 100 + HB2 SER 99 OK 100 100 100 100 3.0-4.4 4.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.2 4.5=100 H GLN 100 + HB2 SER 99 OK 100 100 100 100 3.0-4.4 4.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7819 from cnoeabs.peaks (7.95, 2.21, 29.21 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 101 + HB2 GLN 100 OK 100 100 100 100 2.0-3.3 4.4=100 H GLY 101 - HB2 GLU 69 far 0 84 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 7820 from cnoeabs.peaks (7.95, 2.05, 29.21 ppm; 4.04 A): 3 out of 7 assignments used, quality = 1.00: * H GLY 101 + HB3 GLN 100 OK 99 100 100 99 1.9-3.2 4.4=75, 639/3.0=68...(8) H GLU 91 + HB2 GLU 89 OK 65 87 90 83 4.8-5.8 8177/3.0=48, 566/4.7=46...(4) H GLU 91 + HB2 GLU 92 OK 24 55 65 66 4.5-6.4 1934/4.0=57...(3) H GLU 91 - HB3 GLU 89 poor 17 87 20 - 5.2-6.3 H GLY 101 - HB3 GLU 98 far 0 72 0 - 6.0-6.9 H GLU 91 - HB3 GLU 98 far 0 69 0 - 9.0-10.8 H GLU 91 - HB3 GLN 85 far 0 80 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.3 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.8 4.6=100 Violated in 0 structures by 0.00 A. Peak 7827 from cnoeabs.peaks (8.32, 2.75, 39.05 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HB3 TYR 102 OK 100 100 100 100 2.9-3.7 652=100, 650/3.0=84...(4) Violated in 0 structures by 0.00 A. Peak 7831 from cnoeabs.peaks (8.65, 4.51, 56.38 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 104 + HA GLU 103 OK 100 100 100 100 2.1-2.2 658=100, 660/3.0=39...(9) H GLU 98 - HA GLU 103 far 0 61 0 - 5.3-7.4 Violated in 0 structures by 0.00 A. Peak 7832 from cnoeabs.peaks (8.65, 2.09, 30.37 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 104 + HB2 GLU 103 OK 100 100 100 100 4.1-4.6 4.7=100 H GLU 98 - HB2 GLU 103 far 0 61 0 - 8.0-9.9 Violated in 0 structures by 0.00 A. Peak 7833 from cnoeabs.peaks (8.65, 1.99, 30.37 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 104 + HB3 GLU 103 OK 100 100 100 100 3.0-4.0 4.7=100 H GLU 98 - HB3 GLU 103 far 0 61 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 7834 from cnoeabs.peaks (8.65, 2.26, 36.25 ppm; 4.68 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 104 + HG2 GLU 103 OK 100 100 100 100 2.7-4.8 661=96, 662/1.8=87...(5) H GLU 87 - HG2 GLU 89 poor 20 55 60 60 4.9-6.9 2131/5.2=34...(4) H GLU 98 - HG2 GLU 103 far 0 61 0 - 7.4-10.7 H GLU 87 - HG3 GLU 92 far 0 49 0 - 8.0-11.1 H GLU 98 - HG3 GLU 92 far 0 28 0 - 8.7-11.3 Violated in 11 structures by 0.04 A. Peak 7835 from cnoeabs.peaks (8.65, 2.32, 36.25 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 104 + HG3 GLU 103 OK 100 100 100 100 2.4-4.2 662=90, 660/3.0=71...(5) H GLU 87 - HG3 GLU 89 poor 9 40 60 37 4.4-6.5 2131/5.2=26, 7834/1.8=10 H GLU 98 - HG3 GLU 103 far 0 61 0 - 6.9-9.6 H GLU 87 - HG2 GLU 92 far 0 55 0 - 8.6-10.6 H ASN 8 - HG3 GLU 103 far 0 70 0 - 9.3-14.9 H GLU 98 - HG2 GLU 92 far 0 32 0 - 9.7-12.1 Violated in 4 structures by 0.01 A. Peak 7836 from cnoeabs.peaks (8.71, 5.23, 59.28 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HA VAL 104 OK 100 100 100 100 2.2-2.3 664=100, 667/3.2=53...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 7840 from cnoeabs.peaks (8.81, 4.92, 52.47 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + HA ARG 105 OK 100 100 100 100 2.1-2.3 669=100, 670/3.0=45...(10) H PHE 120 - HA ARG 105 far 0 61 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 7841 from cnoeabs.peaks (8.81, 1.86, 32.95 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + HB2 ARG 105 OK 100 100 100 100 2.8-4.0 4.2=100 H PHE 120 - HB2 ARG 105 far 0 61 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 7842 from cnoeabs.peaks (8.81, 1.82, 32.95 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + HB3 ARG 105 OK 100 100 100 100 3.9-4.5 4.2=100 H PHE 120 - HB3 ARG 105 poor 12 61 20 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 7844 from cnoeabs.peaks (8.81, 1.75, 26.58 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + HG3 ARG 105 OK 100 100 100 100 2.2-4.0 673=100, 670/3.0=99...(9) H PHE 120 - HG3 ARG 105 far 0 61 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 7845 from cnoeabs.peaks (8.81, 3.52, 41.44 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + HD2 ARG 105 OK 100 100 100 100 1.9-4.9 673/3.0=83, 7846/1.8=80...(9) H PHE 120 - HD2 ARG 105 far 0 61 0 - 7.2-10.1 Violated in 6 structures by 0.01 A. Peak 7846 from cnoeabs.peaks (8.81, 3.34, 41.44 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + HD3 ARG 105 OK 100 100 100 100 2.2-4.8 675=97, 673/3.0=83...(9) H PHE 120 - HD3 ARG 105 far 0 61 0 - 7.5-10.2 Violated in 1 structures by 0.00 A. Peak 7847 from cnoeabs.peaks (8.55, 5.58, 53.87 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + HA LYS 106 OK 100 100 100 100 2.3-2.5 677=100, 680/3.9=33...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.1 4.6=100 H VAL 107 + HB3 LYS 106 OK 100 100 100 100 2.3-3.7 4.6=100 Violated in 0 structures by 0.00 A. Peak 7849 from cnoeabs.peaks (8.55, 1.71, 35.30 ppm; 4.62 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 107 + HB3 LYS 106 OK 100 100 100 100 2.3-3.7 4.6=100 H VAL 107 + HB2 LYS 106 OK 99 100 100 100 2.3-4.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 7850 from cnoeabs.peaks (8.55, 1.46, 24.00 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + HG2 LYS 106 OK 100 100 100 100 3.4-4.4 680=100, 677/3.9=95...(9) Violated in 0 structures by 0.00 A. Peak 7851 from cnoeabs.peaks (8.55, 1.40, 24.00 ppm; 5.99 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + HG3 LYS 106 OK 100 100 100 100 3.8-5.1 680/1.8=100, 677/3.9=98...(8) Violated in 0 structures by 0.00 A. Peak 7856 from cnoeabs.peaks (8.60, 4.62, 60.22 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * H THR 108 + HA VAL 107 OK 100 100 100 100 2.2-2.4 687=100, 7858/3.2=44...(6) H GLN 85 - HA VAL 107 far 0 84 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 7857 from cnoeabs.peaks (8.60, 2.12, 35.23 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H THR 108 + HB VAL 107 OK 100 100 100 100 3.6-4.1 7858/2.1=85, 4.4=81...(9) H GLN 85 - HB VAL 107 far 0 84 0 - 9.3-10.1 H LEU 80 - HB VAL 107 far 0 100 0 - 10.0-11.8 Violated in 1 structures by 0.00 A. Peak 7858 from cnoeabs.peaks (8.60, 0.87, 20.76 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * H THR 108 + QG2 VAL 107 OK 100 100 100 100 1.9-2.4 689=99, 687/3.2=58...(12) H GLN 85 - QG2 VAL 107 far 0 84 0 - 6.6-8.3 H LEU 80 - QG2 VAL 107 far 0 100 0 - 9.9-11.3 H LYS 94 - QG2 VAL 107 far 0 100 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 7859 from cnoeabs.peaks (8.60, 0.76, 21.72 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * H THR 108 + QG1 VAL 107 OK 100 100 100 100 2.8-4.1 690=100, 7858/2.1=83...(10) H GLN 85 - QG1 VAL 107 far 0 84 0 - 6.2-7.2 H LYS 94 - QG1 VAL 107 far 0 100 0 - 7.8-10.2 H LEU 80 - QG1 VAL 107 far 0 100 0 - 8.4-9.8 H ASP 12 - QG1 VAL 107 far 0 65 0 - 9.9-11.6 Violated in 4 structures by 0.01 A. Peak 7860 from cnoeabs.peaks (8.04, 4.78, 62.22 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 109 + HA THR 108 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 90 - HA THR 108 far 0 90 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 7861 from cnoeabs.peaks (8.04, 4.22, 69.97 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 109 + HB THR 108 OK 100 100 100 100 3.4-3.8 693=100, 694/2.1=73...(7) H LEU 90 - HB THR 108 far 0 90 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 7862 from cnoeabs.peaks (8.04, 1.25, 21.44 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 109 + QG2 THR 108 OK 100 100 100 100 2.3-4.1 4.4=100 H LEU 90 - QG2 THR 108 far 9 90 10 - 5.6-9.1 Violated in 0 structures by 0.00 A. Peak 7863 from cnoeabs.peaks (8.70, 4.74, 53.85 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 110 + HA ASP 109 OK 100 100 100 100 2.2-2.3 3.6=100 H ASP 86 - HA ASP 109 far 0 99 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 7864 from cnoeabs.peaks (8.70, 2.82, 43.69 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HB2 ASP 109 OK 100 100 100 100 2.8-4.0 697=100, 698/1.8=92...(12) Violated in 0 structures by 0.00 A. Peak 7865 from cnoeabs.peaks (8.70, 2.73, 43.69 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HB3 ASP 109 OK 100 100 100 100 2.9-4.0 698=100, 697/1.8=93...(13) Violated in 0 structures by 0.00 A. Peak 7866 from cnoeabs.peaks (8.21, 4.09, 57.39 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 111 + HA ASP 110 OK 100 100 100 100 3.5-3.5 3.6=100 H ASP 84 - HA ASP 110 far 0 96 0 - 6.9-8.7 Violated in 0 structures by 0.00 A. Peak 7867 from cnoeabs.peaks (8.21, 2.42, 40.30 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 111 + HB2 ASP 110 OK 100 100 100 100 3.3-4.1 701=97, 7868/1.8=83...(5) H ASP 84 - HB2 ASP 110 far 0 96 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 7868 from cnoeabs.peaks (8.21, 2.68, 40.30 ppm; 3.97 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 111 + HB3 ASP 110 OK 99 100 100 99 2.5-4.2 702=93, 7867/1.8=69...(5) H ASP 84 - HB3 ASP 110 far 0 96 0 - 8.3-11.6 Violated in 11 structures by 0.05 A. Peak 7869 from cnoeabs.peaks (8.23, 3.99, 59.36 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 112 + HA GLU 111 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 15 - HA GLU 111 far 0 99 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 7870 from cnoeabs.peaks (8.23, 2.10, 28.50 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 112 + HB2 GLU 111 OK 99 100 100 99 2.2-3.9 706/1.8=77, 4.6=47...(11) Violated in 4 structures by 0.05 A. Peak 7871 from cnoeabs.peaks (8.23, 2.02, 28.50 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 112 + HB3 GLU 111 OK 100 100 100 100 2.9-3.6 706=100, 7870/1.8=73...(10) Violated in 1 structures by 0.00 A. Peak 7872 from cnoeabs.peaks (8.23, 2.29, 36.01 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.99: * H GLU 112 + HG2 GLU 111 OK 98 100 100 98 2.1-4.9 706/3.0=66, 7870/3.0=63...(11) H GLU 89 + HG3 GLU 87 OK 39 70 80 70 4.4-6.5 1931/5.0=31, 2130/4.0=21...(7) H GLU 89 + HG2 GLU 87 OK 22 70 45 70 4.7-6.3 1931/5.0=31, 2130/4.0=21...(6) Violated in 13 structures by 0.05 A. Peak 7873 from cnoeabs.peaks (8.23, 2.27, 36.01 ppm; 3.85 A): 3 out of 3 assignments used, quality = 1.00: * H GLU 112 + HG3 GLU 111 OK 98 100 100 98 1.9-5.2 706/3.0=65, 7870/3.0=62...(11) H GLU 89 + HG2 GLU 89 OK 74 76 100 97 1.9-3.5 5769/1.8=55, 5.2=41...(13) H GLU 89 + HG3 GLU 92 OK 47 80 65 90 4.6-8.1 3.0/5749=32, 1588=26...(14) Violated in 0 structures by 0.00 A. Peak 7874 from cnoeabs.peaks (8.12, 4.00, 58.75 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 113 + HA GLU 112 OK 100 100 100 100 3.4-3.6 3.6=100 H VAL 117 - HA GLU 112 far 0 100 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 7875 from cnoeabs.peaks (8.12, 2.08, 29.19 ppm; 3.38 A): 2 out of 4 assignments used, quality = 1.00: H ALA 113 + HB3 GLU 112 OK 96 100 100 96 2.3-3.5 712=50, 709/4.0=41...(21) * H ALA 113 + HB2 GLU 112 OK 96 100 100 96 2.4-4.2 711=50, 709/4.0=41...(20) H VAL 117 - HB3 GLU 112 far 0 100 0 - 6.9-8.7 H VAL 117 - HB2 GLU 112 far 0 100 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 7876 from cnoeabs.peaks (8.12, 2.08, 29.19 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 113 + HB3 GLU 112 OK 96 100 100 96 2.3-3.5 712=50, 709/4.0=41...(21) H ALA 113 + HB2 GLU 112 OK 96 100 100 96 2.4-4.2 711=50, 709/4.0=41...(20) H PHE 93 - HB3 GLU 91 far 0 26 0 - 5.5-6.1 H VAL 117 - HB3 GLU 112 far 0 100 0 - 6.9-8.7 H VAL 117 - HB2 GLU 112 far 0 100 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 7877 from cnoeabs.peaks (8.12, 2.34, 36.01 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 113 + HG2 GLU 112 OK 95 100 100 95 3.7-5.0 709/4.9=40, 712/3.0=36...(17) H ALA 113 + HG3 GLU 112 OK 95 100 100 95 2.9-5.2 709/4.9=40, 712/3.0=36...(16) H VAL 117 - HG3 GLU 112 far 0 100 0 - 6.1-9.6 H VAL 117 - HG2 GLU 112 far 0 100 0 - 6.7-9.5 H VAL 117 - HG3 GLU 103 far 0 38 0 - 9.3-14.0 Violated in 14 structures by 0.14 A. Peak 7878 from cnoeabs.peaks (8.12, 2.34, 36.01 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: H ALA 113 + HG2 GLU 112 OK 95 100 100 95 3.7-5.0 709/4.9=40, 712/3.0=36...(16) * H ALA 113 + HG3 GLU 112 OK 95 100 100 95 2.9-5.2 709/4.9=40, 712/3.0=36...(16) H VAL 117 - HG3 GLU 112 far 0 100 0 - 6.1-9.6 H VAL 117 - HG2 GLU 112 far 0 100 0 - 6.7-9.5 Violated in 14 structures by 0.14 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7880 from cnoeabs.peaks (7.74, 1.41, 18.60 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + QB ALA 113 OK 100 100 100 100 2.3-2.9 3.7=84, 715/1741=60...(17) Violated in 0 structures by 0.00 A. Peak 7881 from cnoeabs.peaks (7.62, 3.71, 57.67 ppm; 5.67 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 115 + HA LEU 114 OK 100 100 100 100 3.4-3.5 3.6=100 H LYS 16 - HA LEU 114 far 0 84 0 - 8.6-10.1 HE ARG 105 - HA LEU 114 far 0 65 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 7882 from cnoeabs.peaks (7.62, 1.74, 40.94 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 115 + HB2 LEU 114 OK 100 100 100 100 2.8-4.4 720=76, 7883/1.8=75...(15) H GLU 69 + HB2 LEU 68 OK 59 60 100 98 2.5-3.0 423=73, 424/1.8=66...(7) H LEU 64 - HB2 LEU 68 far 0 62 0 - 6.5-8.3 H LYS 16 - HB2 LEU 114 far 0 84 0 - 7.4-11.2 H GLN 100 - HB2 LEU 68 far 0 67 0 - 8.1-9.4 H LEU 74 - HB2 LEU 68 far 0 64 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 7883 from cnoeabs.peaks (7.62, 1.40, 40.94 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 115 + HB3 LEU 114 OK 99 100 100 99 2.8-4.3 4.3=75, 720/1.8=62...(11) H LYS 16 - HB3 LEU 114 far 0 84 0 - 7.5-10.5 Violated in 9 structures by 0.09 A. Peak 7884 from cnoeabs.peaks (7.62, 1.65, 26.77 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 115 + HG LEU 114 OK 99 100 100 99 2.6-5.3 7883/3.0=63, 718/6678=61...(11) H LEU 64 + HG LEU 64 OK 77 77 100 100 4.0-4.6 1420/2.1=75, 1421/2.1=72...(12) H GLU 69 - HG LEU 64 far 0 75 0 - 6.4-8.4 H LYS 16 - HG LEU 114 far 0 84 0 - 7.4-10.4 HE ARG 105 - HG LEU 90 far 0 41 0 - 7.6-12.7 HE21 GLN 85 - HG LEU 90 far 0 68 0 - 8.5-13.2 Violated in 6 structures by 0.04 A. Peak 7885 from cnoeabs.peaks (7.62, 0.81, 24.73 ppm; 4.20 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 115 + QD1 LEU 114 OK 100 100 100 100 2.5-4.9 7886/2.1=65, 4.9=64...(15) H LEU 64 + QD1 LEU 64 OK 56 56 100 100 1.9-4.3 1420=84, 1421/2.1=76...(11) H GLU 69 - QD1 LEU 64 poor 12 54 55 42 5.2-7.9 4786/2.1=23, 4.6/6669=13 H LYS 16 - QD1 LEU 114 far 0 84 0 - 5.9-9.1 H GLN 100 - QD1 LEU 64 far 0 61 0 - 7.7-10.3 HE ARG 105 - QD1 LEU 64 far 0 35 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 7886 from cnoeabs.peaks (7.62, 0.67, 23.24 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 115 + QD2 LEU 114 OK 100 100 100 100 4.1-4.9 4.9=81, 3.6/6693=78...(16) H LYS 16 - QD2 LEU 114 poor 17 84 20 - 5.5-7.1 HE21 GLN 85 - QD2 LEU 114 far 0 97 0 - 9.3-14.4 Violated in 8 structures by 0.08 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7888 from cnoeabs.peaks (8.00, 1.93, 32.18 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 116 + HB2 LYS 115 OK 99 100 100 99 2.3-4.1 729/3.0=60, 4.4=52...(16) H ILE 116 + HB3 LYS 115 OK 94 96 100 98 3.4-4.2 729/3.0=60, 4.4=52...(12) H SER 72 - HB3 LYS 65 far 0 53 0 - 9.1-10.9 H SER 72 - HB2 LYS 65 far 0 51 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 7889 from cnoeabs.peaks (8.00, 1.93, 32.18 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 116 + HB3 LYS 115 OK 98 100 100 98 3.4-4.2 729/3.0=60, 4.4=51...(12) H ILE 116 + HB2 LYS 115 OK 94 96 100 99 2.3-4.1 729/3.0=60, 4.4=51...(15) H SER 72 - HB3 LYS 65 far 0 58 0 - 9.1-10.9 H SER 72 - HB2 LYS 65 far 0 58 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 7890 from cnoeabs.peaks (8.00, 1.56, 24.91 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 116 + HG2 LYS 115 OK 100 100 100 100 1.8-3.6 729=100, 1958/1753=84...(13) H SER 72 - HG2 LYS 65 far 0 38 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 7891 from cnoeabs.peaks (8.00, 1.30, 24.91 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HG3 LYS 115 OK 100 100 100 100 2.2-4.5 730=100, 729/1.8=100...(10) Violated in 0 structures by 0.00 A. Peak 7892 from cnoeabs.peaks (8.00, 1.66, 29.55 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 116 + HD2 LYS 115 OK 100 100 100 100 2.7-5.5 729/2.9=93, 730/2.9=65...(10) H ILE 116 + HD3 LYS 115 OK 99 99 100 100 2.8-5.7 729/2.9=93, 730/2.9=65...(9) H SER 72 - HD2 LYS 65 far 0 59 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 7893 from cnoeabs.peaks (8.00, 1.66, 29.55 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 116 + HD3 LYS 115 OK 100 100 100 100 2.8-5.7 729/2.9=93, 730/2.9=65...(9) H ILE 116 + HD2 LYS 115 OK 99 99 100 100 2.7-5.5 729/2.9=93, 730/2.9=65...(9) H SER 72 - HD2 LYS 65 far 0 55 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 7896 from cnoeabs.peaks (8.12, 3.46, 64.12 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + HA ILE 116 OK 100 100 100 100 3.5-3.5 3.6=100 H ALA 113 - HA ILE 116 far 5 100 5 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 7897 from cnoeabs.peaks (8.12, 1.63, 36.32 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + HB ILE 116 OK 100 100 100 100 2.8-3.0 737=100, 738/2.1=81...(18) H ALA 113 + HB ILE 116 OK 84 100 85 99 5.0-6.5 3.0/8252=63...(21) Violated in 0 structures by 0.00 A. Peak 7898 from cnoeabs.peaks (8.12, 0.04, 18.11 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + QG2 ILE 116 OK 100 100 100 100 3.5-4.1 4.3=100 H ALA 113 + QG2 ILE 116 OK 55 100 55 100 5.9-6.8 ~8252=50, 7897/2.1=39...(21) Violated in 0 structures by 0.00 A. Peak 7899 from cnoeabs.peaks (8.12, 1.58, 28.89 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + HG12 ILE 116 OK 100 100 100 100 3.8-5.2 737/6812=100...(10) H ALA 113 + HG12 ILE 116 OK 100 100 100 100 3.8-5.2 ~8252=66, ~10413=61...(22) Violated in 0 structures by 0.00 A. Peak 7901 from cnoeabs.peaks (8.12, 0.68, 13.41 ppm; 5.12 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + QD1 ILE 116 OK 100 100 100 100 4.2-5.0 737/3.2=91, 735/1765=88...(15) H ALA 113 + QD1 ILE 116 OK 100 100 100 100 3.3-5.6 3.0/10416=66, 739/2.1=45...(26) Violated in 0 structures by 0.00 A. Peak 7902 from cnoeabs.peaks (8.03, 3.26, 67.50 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 118 + HA VAL 117 OK 100 100 100 100 3.6-3.6 3.6=100 H VAL 22 - HA VAL 117 far 0 90 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 7903 from cnoeabs.peaks (8.03, 2.05, 30.75 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 118 + HB VAL 117 OK 100 100 100 100 2.2-2.5 745/2.1=86, 746/2.1=81...(8) H VAL 22 - HB VAL 117 far 0 90 0 - 5.8-7.5 H GLY 26 - HB2 GLN 28 far 0 25 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 7904 from cnoeabs.peaks (8.03, 0.86, 23.99 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 118 + QG2 VAL 117 OK 100 100 100 100 3.0-3.2 745=100, 746/2.1=88...(13) H VAL 22 - QG2 VAL 117 far 0 90 0 - 5.8-7.0 H THR 9 - QG2 VAL 117 far 0 65 0 - 7.4-8.6 H ASP 109 - QG2 VAL 117 far 0 92 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 7905 from cnoeabs.peaks (8.03, 0.72, 21.31 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 118 + QG1 VAL 117 OK 100 100 100 100 3.7-3.9 746=100, 745/2.1=84...(11) H VAL 22 - QG1 VAL 117 far 13 90 15 - 5.3-6.9 H THR 9 - QG1 VAL 117 far 0 65 0 - 7.8-9.2 H GLY 26 - QG1 VAL 117 far 0 98 0 - 9.4-11.7 Violated in 1 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 4.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.7 4.2=100 Violated in 0 structures by 0.00 A. Peak 7913 from cnoeabs.peaks (8.83, 4.03, 59.53 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 120 + HA GLU 119 OK 100 100 100 100 3.5-3.6 3.6=100 H PHE 120 - HA LYS 123 far 0 60 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 7914 from cnoeabs.peaks (8.83, 2.12, 28.96 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 120 + HB2 GLU 119 OK 99 100 100 99 2.4-2.8 4.6=68, 1962/4.0=55...(14) H PHE 120 + HB3 GLU 119 OK 98 99 100 98 3.1-3.8 4.6=68, 1962/4.0=55...(13) H LYS 106 - HB2 GLU 119 far 0 61 0 - 9.3-10.7 H LYS 106 - HB2 GLU 91 far 0 50 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 7915 from cnoeabs.peaks (8.83, 2.11, 28.96 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 120 + HB3 GLU 119 OK 98 100 100 98 3.1-3.8 4.6=68, 1962/4.0=55...(13) H PHE 120 + HB2 GLU 119 OK 98 99 100 99 2.4-2.8 4.6=68, 1962/4.0=55...(14) H LYS 106 - HB2 GLU 119 far 0 60 0 - 9.3-10.7 H LYS 106 - HB2 GLU 91 far 0 41 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 7916 from cnoeabs.peaks (8.83, 2.08, 36.01 ppm; 5.84 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + HG2 GLU 119 OK 100 100 100 100 4.1-4.8 1962/1783=98...(13) Violated in 0 structures by 0.00 A. Peak 7917 from cnoeabs.peaks (8.83, 2.46, 36.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 120 + HG3 GLU 119 OK 100 100 100 100 3.7-5.1 760=100, 3.6/6932=99...(11) H LYS 106 - HG3 GLU 119 far 0 61 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 7918 from cnoeabs.peaks (8.32, 4.02, 56.87 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H MET 121 + HA PHE 120 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 103 - HA PHE 120 far 10 100 10 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 7919 from cnoeabs.peaks (8.32, 3.22, 36.75 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * H MET 121 + HB2 PHE 120 OK 100 100 100 100 2.2-3.8 4.6=100 H GLU 103 - HB2 PHE 120 far 0 100 0 - 7.0-10.0 Violated in 0 structures by 0.00 A. Peak 7920 from cnoeabs.peaks (8.32, 2.34, 36.75 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H MET 121 + HB3 PHE 120 OK 100 100 100 100 2.5-3.9 4.6=100 H GLU 103 - HB3 PHE 120 lone 1 100 50 2 6.9-9.3 Violated in 0 structures by 0.00 A. Peak 7924 from cnoeabs.peaks (8.05, 3.93, 59.78 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 122 + HA MET 121 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 22 - HA MET 121 far 0 70 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 7925 from cnoeabs.peaks (8.05, 2.29, 33.64 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 122 + HB2 MET 121 OK 100 100 100 100 2.8-3.4 4.6=100 H VAL 22 - HB2 MET 121 far 0 70 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 7926 from cnoeabs.peaks (8.05, 2.08, 33.64 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 122 + HB3 MET 121 OK 100 100 100 100 2.3-4.1 4.6=100 H VAL 22 - HB3 MET 121 far 0 70 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 7927 from cnoeabs.peaks (8.05, 1.92, 31.22 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 122 + HG2 MET 121 OK 100 100 100 100 4.5-5.2 771/3.0=100, 772/3.0=98...(7) H VAL 22 + HG2 MET 121 OK 35 70 55 91 6.5-9.0 ~10861=62, ~10586=49...(4) Violated in 0 structures by 0.00 A. Peak 7929 from cnoeabs.peaks (8.05, 1.83, 16.54 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 122 + QE MET 121 OK 99 100 100 99 3.5-5.7 771/7022=66, 3.6/7021=65...(9) H VAL 22 + QE MET 121 OK 40 70 70 83 4.5-9.0 3.0/10861=61...(4) Violated in 7 structures by 0.04 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7931 from cnoeabs.peaks (8.40, 2.24, 28.02 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: H LYS 123 + HB3 GLN 122 OK 99 100 100 99 3.4-3.8 4.7=59, 7933/3.0=54...(13) * H LYS 123 + HB2 GLN 122 OK 99 100 100 99 2.1-2.4 4.7=59, 7933/3.0=54...(11) Violated in 0 structures by 0.00 A. Peak 7932 from cnoeabs.peaks (8.40, 2.24, 28.02 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 123 + HB3 GLN 122 OK 99 100 100 99 3.4-3.8 4.7=59, 7933/3.0=54...(13) H LYS 123 + HB2 GLN 122 OK 99 100 100 99 2.1-2.4 4.7=59, 7933/3.0=54...(11) Violated in 0 structures by 0.00 A. Peak 7933 from cnoeabs.peaks (8.40, 2.41, 33.53 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.99: * H LYS 123 + HG2 GLN 122 OK 99 100 100 99 3.4-4.4 780=63, 3.6/7031=61...(13) H MET 67 - HG3 GLN 62 far 0 72 0 - 6.1-9.6 H MET 67 - HG2 GLN 62 far 0 69 0 - 6.6-9.2 H ASP 36 - HG2 GLN 62 far 0 57 0 - 7.7-11.7 H ASP 36 - HG3 GLN 62 far 0 60 0 - 8.0-11.6 Violated in 3 structures by 0.01 A. Peak 7934 from cnoeabs.peaks (8.40, 2.52, 33.53 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 123 + HG3 GLN 122 OK 100 100 100 100 3.5-4.8 7933/1.8=98, 781=85...(12) H LYS 123 - HG3 GLN 25 far 0 92 0 - 8.0-11.9 Violated in 0 structures by 0.00 A. Peak 7935 from cnoeabs.peaks (8.60, 4.03, 59.24 ppm; 5.89 A): 5 out of 5 assignments used, quality = 1.00: * H ALA 124 + HA LYS 123 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 94 + HA GLU 92 OK 90 90 100 100 4.1-4.7 1936/3.6=96, 593/2159=87...(6) H ILE 71 + HA GLU 66 OK 76 94 100 81 5.9-7.3 2109/2107=80 H ASP 12 + HA GLU 13 OK 48 50 100 96 5.0-5.3 58/3.0=76, 1975/3.6=58...(4) H ALA 124 + HA GLU 119 OK 30 60 100 49 6.4-7.0 784/1809=27...(4) Violated in 0 structures by 0.00 A. Peak 7936 from cnoeabs.peaks (8.60, 1.93, 32.31 ppm; 4.66 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 124 + HB2 LYS 123 OK 100 100 100 100 3.2-3.6 4.4=100 H LYS 49 - HB3 LYS 40 far 0 69 0 - 8.4-12.4 H ILE 71 - HB3 LYS 65 far 0 99 0 - 8.6-10.0 H THR 108 - HB2 LYS 115 far 0 87 0 - 8.7-11.4 H LEU 80 - HB2 LYS 123 far 0 100 0 - 8.8-9.6 H ILE 71 - HB2 LYS 65 far 0 99 0 - 8.9-9.8 H THR 108 - HB3 LYS 115 far 0 94 0 - 9.2-11.2 H LYS 94 - HB2 LYS 65 far 0 98 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 7937 from cnoeabs.peaks (8.60, 1.91, 32.31 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 124 + HB3 LYS 123 OK 100 100 100 100 2.2-2.6 787=100, 786/1.8=91...(13) H LYS 49 + HB2 LYS 49 OK 44 44 100 100 2.2-3.7 4.0=100 H LYS 94 - HB2 LYS 96 poor 12 41 30 - 5.0-6.7 H LYS 49 - HB2 LYS 44 far 3 68 5 - 5.6-10.2 H LYS 49 - HB3 LYS 44 far 0 58 0 - 7.0-10.1 H LEU 80 - HB3 LYS 123 far 0 100 0 - 8.3-8.9 H THR 108 - HB2 LYS 115 far 0 54 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 7944 from cnoeabs.peaks (7.95, 4.14, 54.65 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 125 + HA ALA 124 OK 100 100 100 100 3.5-3.5 3.6=100 H LYS 53 - HA ALA 124 far 0 84 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 7945 from cnoeabs.peaks (7.95, 1.50, 18.93 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 125 + QB ALA 124 OK 100 100 100 100 2.6-3.0 3.6=100 H LYS 53 - QB ALA 124 far 0 84 0 - 6.1-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.5 3.6=100 H SER 126 + HA3 GLY 125 OK 78 78 100 100 2.9-3.1 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.1 3.6=100 H SER 126 + HA2 GLY 125 OK 78 78 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7949 from cnoeabs.peaks (7.88, 4.02, 63.46 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 127 + HB2 SER 126 OK 90 100 100 90 2.6-4.1 800/4.0=48, 4.5=44...(8) H LEU 127 + HB3 SER 126 OK 84 93 100 90 2.8-3.7 800/4.0=48, 4.5=44...(8) Violated in 3 structures by 0.00 A. Peak 7950 from cnoeabs.peaks (7.88, 4.03, 63.46 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 127 + HB3 SER 126 OK 90 100 100 90 2.8-3.7 800/4.0=48, 4.5=44...(8) H LEU 127 + HB2 SER 126 OK 84 93 100 90 2.6-4.1 800/4.0=48, 4.5=44...(8) Violated in 3 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 4.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-4.2 4.2=100 Violated in 0 structures by 0.00 A. Peak 7954 from cnoeabs.peaks (8.08, 1.86, 26.77 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HG LEU 127 OK 100 100 100 100 3.7-3.8 808=100, 806/3.0=100...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.3 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.6 4.8=100 Violated in 0 structures by 0.00 A. Peak 7964 from cnoeabs.peaks (8.24, 4.27, 57.61 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HA ASP 12 OK 100 100 100 100 3.2-3.8 1979=100, 3.8/7965=73...(8) Violated in 0 structures by 0.00 A. Peak 7965 from cnoeabs.peaks (1.92, 4.27, 57.61 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.95: * HB ILE 15 + HA ASP 12 OK 95 100 100 95 3.2-3.8 7966=47, 3.2/9154=40...(12) HB3 LYS 17 - HA ASP 12 far 0 97 0 - 7.4-9.3 Violated in 20 structures by 0.42 A. Peak 7966 from cnoeabs.peaks (4.27, 1.92, 37.42 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + HB ILE 15 OK 100 100 100 100 3.2-3.8 7965=100, 9156/2.1=68...(12) Violated in 0 structures by 0.00 A. Peak 7967 from cnoeabs.peaks (7.60, 4.27, 57.61 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HA ASP 12 OK 100 100 100 100 4.2-4.6 77/7965=94, 1864/1979=73...(7) Violated in 0 structures by 0.00 A. Peak 7970 from cnoeabs.peaks (1.88, 4.03, 59.01 ppm; 3.21 A): 4 out of 13 assignments used, quality = 0.91: HG2 ARG 95 + HA GLU 92 OK 52 63 100 83 2.4-3.8 6035/8203=41...(8) * HB2 LYS 16 + HA GLU 13 OK 51 100 55 93 3.4-5.2 7971=47, 1.8/7973=41...(7) HB3 LYS 16 + HA GLU 13 OK 46 100 50 93 3.4-5.4 7973=53, 1.8/7971=37...(7) HB2 ARG 95 + HA GLU 92 OK 27 38 90 80 3.5-5.4 1.8/8203=47, 3.9/2159=29...(7) QE MET 42 - HA GLU 66 far 0 74 0 - 5.6-8.7 QE MET 67 - HA GLU 66 far 0 96 0 - 5.7-6.8 HB ILE 71 - HA GLU 66 far 0 67 0 - 7.5-10.3 HB2 LEU 63 - HA GLU 66 far 0 88 0 - 7.8-8.7 HB3 LYS 73 - HA GLU 66 far 0 74 0 - 8.5-12.2 HB3 LYS 20 - HA GLU 13 far 0 92 0 - 8.7-11.1 HB2 LYS 73 - HA GLU 66 far 0 70 0 - 9.4-11.7 HB2 LYS 20 - HA GLU 13 far 0 92 0 - 9.6-10.6 HB3 ARG 118 - HA LYS 123 far 0 65 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 7971 from cnoeabs.peaks (4.03, 1.88, 32.16 ppm; 2.91 A): 2 out of 7 assignments used, quality = 0.60: HA GLU 13 + HB3 LYS 16 OK 39 100 50 78 3.4-5.4 11425/3.0=29...(7) * HA GLU 13 + HB2 LYS 16 OK 35 100 45 78 3.4-5.2 11425/3.0=29...(7) HA3 GLY 75 - HB3 LYS 73 far 0 44 0 - 6.8-8.1 HA GLU 66 - HB3 LYS 73 far 0 63 0 - 8.5-12.2 HA3 GLY 101 - HB3 LYS 73 far 0 36 0 - 8.6-12.5 HA GLU 13 - HB3 LYS 20 far 0 65 0 - 8.7-11.1 HA GLU 13 - HB2 LYS 20 far 0 65 0 - 9.6-10.6 Violated in 20 structures by 0.70 A. Peak 7972 from cnoeabs.peaks (1.88, 4.03, 59.01 ppm; 3.21 A): 4 out of 13 assignments used, quality = 0.91: HG2 ARG 95 + HA GLU 92 OK 51 62 100 83 2.4-3.8 6035/8203=40...(8) HB2 LYS 16 + HA GLU 13 OK 51 100 55 93 3.4-5.2 7971=47, 1.8/7973=41...(7) * HB3 LYS 16 + HA GLU 13 OK 46 100 50 93 3.4-5.4 7973=53, 1.8/7971=37...(7) HB2 ARG 95 + HA GLU 92 OK 29 40 90 81 3.5-5.4 1.8/8203=47, 3.9/2159=29...(7) QE MET 42 - HA GLU 66 far 0 70 0 - 5.6-8.7 QE MET 67 - HA GLU 66 far 0 96 0 - 5.7-6.8 HB ILE 71 - HA GLU 66 far 0 70 0 - 7.5-10.3 HB2 LEU 63 - HA GLU 66 far 0 85 0 - 7.8-8.7 HB3 LYS 73 - HA GLU 66 far 0 77 0 - 8.5-12.2 HB3 LYS 20 - HA GLU 13 far 0 94 0 - 8.7-11.1 HB2 LYS 73 - HA GLU 66 far 0 74 0 - 9.4-11.7 HB2 LYS 20 - HA GLU 13 far 0 94 0 - 9.6-10.6 HB3 ARG 118 - HA LYS 123 far 0 62 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 7973 from cnoeabs.peaks (4.03, 1.88, 32.16 ppm; 2.91 A): 2 out of 10 assignments used, quality = 0.60: * HA GLU 13 + HB3 LYS 16 OK 39 100 50 78 3.4-5.4 11425/3.0=29...(7) HA GLU 13 + HB2 LYS 16 OK 35 100 45 78 3.4-5.2 11425/3.0=29...(7) HA3 GLY 75 - HB2 LYS 73 far 0 44 0 - 6.7-7.9 HA3 GLY 75 - HB3 LYS 73 far 0 48 0 - 6.8-8.1 HA GLU 66 - HB3 LYS 73 far 0 68 0 - 8.5-12.2 HA3 GLY 101 - HB3 LYS 73 far 0 40 0 - 8.6-12.5 HA GLU 13 - HB3 LYS 20 far 0 69 0 - 8.7-11.1 HA3 GLY 101 - HB2 LYS 73 far 0 36 0 - 9.4-13.0 HA GLU 66 - HB2 LYS 73 far 0 63 0 - 9.4-11.7 HA GLU 13 - HB2 LYS 20 far 0 69 0 - 9.6-10.6 Violated in 20 structures by 0.70 A. Peak 7976 from cnoeabs.peaks (7.58, 3.98, 57.26 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 17 + HA LEU 14 OK 99 100 100 99 3.5-4.1 1988=50, 1114/7977=44...(17) H LEU 14 + HA LEU 14 OK 98 98 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7977 from cnoeabs.peaks (1.99, 3.98, 57.26 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HA LEU 14 OK 100 100 100 100 2.2-4.5 1.8/7979=79, 7978=51...(17) Violated in 4 structures by 0.03 A. Peak 7978 from cnoeabs.peaks (3.98, 1.99, 33.06 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 14 + HB2 LYS 17 OK 100 100 100 100 2.2-4.5 7977=73, 7979/1.8=65...(17) HA LYS 17 + HB2 LYS 17 OK 97 97 100 100 2.3-3.0 3.0=100 HA GLU 111 - HB2 LYS 17 far 10 100 10 - 4.9-7.0 HA GLU 112 - HB2 LYS 17 far 0 87 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 7979 from cnoeabs.peaks (1.92, 3.98, 57.26 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 17 + HA LEU 14 OK 100 100 100 100 2.1-3.9 1.8/7977=75...(16) HB ILE 15 - HA LEU 14 far 0 97 0 - 5.9-6.0 HB2 LYS 115 - HA LEU 14 far 0 98 0 - 9.1-11.2 HB3 LYS 115 - HA LEU 14 far 0 87 0 - 9.1-11.9 HB2 LEU 81 - HA LEU 14 far 0 100 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 7980 from cnoeabs.peaks (3.98, 1.92, 33.06 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 14 + HB3 LYS 17 OK 100 100 100 100 2.1-3.9 7979=74, 7977/1.8=62...(16) HA LYS 17 + HB3 LYS 17 OK 97 97 100 100 2.6-3.0 3.0=100 HA GLU 111 - HB3 LYS 17 far 0 100 0 - 5.5-7.4 HA GLU 112 - HB3 LYS 17 far 0 87 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 7981 from cnoeabs.peaks (8.79, 3.98, 57.26 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HA LEU 14 OK 100 100 100 100 3.0-3.9 95/7979=81, 94/7977=79...(14) Violated in 0 structures by 0.00 A. Peak 7983 from cnoeabs.peaks (8.79, 3.22, 66.59 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 18 + HA ILE 15 OK 100 100 100 100 3.6-4.3 1993=100, 2907/7985=62...(12) H ASN 59 - HA ILE 15 far 0 94 0 - 8.4-9.4 H VAL 29 - HA ILE 15 far 0 94 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 7984 from cnoeabs.peaks (1.82, 3.22, 66.59 ppm; 3.75 A): 3 out of 5 assignments used, quality = 1.00: * HB ILE 18 + HA ILE 15 OK 97 100 100 97 2.6-3.6 7985=74, 2907/1993=40...(10) HB2 LEU 14 + HA ILE 15 OK 94 100 100 94 3.8-4.8 ~71=36, 70/2.9=35...(17) HB3 LYS 19 + HA ILE 15 OK 26 84 65 47 4.5-5.9 4.0/7986=27, 4532/9559=9...(5) HB ILE 57 - HA ILE 15 poor 20 100 20 - 4.5-6.5 QE MET 121 - HA ILE 15 far 0 94 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 7985 from cnoeabs.peaks (3.22, 1.82, 37.56 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.97: * HA ILE 15 + HB ILE 18 OK 97 100 100 97 2.6-3.6 1993/2907=49...(11) HB2 PHE 120 - HB ILE 18 far 0 100 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 7986 from cnoeabs.peaks (8.53, 3.22, 66.59 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 19 + HA ILE 15 OK 100 100 100 100 3.6-4.3 1999=90, 102/1993=81...(9) H ILE 57 - HA ILE 15 far 0 94 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 7988 from cnoeabs.peaks (8.53, 3.84, 60.17 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + HA LYS 16 OK 100 100 100 100 3.3-4.0 1998=100, 1131/7989=80...(8) Violated in 0 structures by 0.00 A. Peak 7989 from cnoeabs.peaks (1.79, 3.84, 60.17 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.98: * HB2 LYS 19 + HA LYS 16 OK 98 100 100 98 3.6-4.3 1.8/7991=81, 7990=45...(7) Violated in 20 structures by 0.30 A. Peak 7990 from cnoeabs.peaks (3.84, 1.79, 32.33 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + HB2 LYS 19 OK 100 100 100 100 3.6-4.3 7989=100, 7991/1.8=100...(7) Violated in 0 structures by 0.00 A. Peak 7991 from cnoeabs.peaks (1.83, 3.84, 60.17 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.94: * HB3 LYS 19 + HA LYS 16 OK 94 100 100 94 2.2-2.8 1.8/7989=61, 7992=53...(7) HB ILE 18 - HA LYS 16 far 0 84 0 - 5.4-6.1 HB2 LEU 14 - HA LYS 16 far 0 90 0 - 7.5-8.3 HB ILE 57 - HA LYS 16 far 0 90 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 7992 from cnoeabs.peaks (3.84, 1.83, 32.33 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 16 + HB3 LYS 19 OK 100 100 100 100 2.2-2.8 7991=100, 7989/1.8=86...(7) HA2 GLY 75 - HB2 LYS 77 far 0 75 0 - 6.4-7.4 HA2 GLY 75 - HB3 LYS 77 far 0 81 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 7993 from cnoeabs.peaks (7.30, 3.84, 60.17 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HA LYS 16 OK 100 100 100 100 4.3-4.9 2004=100, 112/7991=100...(8) Violated in 0 structures by 0.00 A. Peak 7995 from cnoeabs.peaks (7.30, 3.99, 59.84 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HA LYS 17 OK 100 100 100 100 3.5-4.0 2003=100, 1144/11543=60...(8) Violated in 0 structures by 0.00 A. Peak 7996 from cnoeabs.peaks (1.89, 3.99, 59.84 ppm; 3.12 A): 4 out of 4 assignments used, quality = 0.88: * HB2 LYS 20 + HA LYS 17 OK 51 100 60 85 3.8-5.2 7997=32, 3.9/2003=28...(10) HB3 LYS 16 + HA LYS 17 OK 38 94 50 81 3.8-5.6 7367/3.0=22, 7999=19...(11) HB3 LYS 20 + HA LYS 17 OK 38 100 45 84 3.0-5.7 3.9/2003=28...(10) HB2 LYS 16 + HA LYS 17 OK 37 92 50 81 3.8-5.1 7367/3.0=22, 7997=17...(11) Violated in 17 structures by 0.17 A. Peak 7997 from cnoeabs.peaks (3.99, 1.89, 31.98 ppm; 3.21 A): 4 out of 17 assignments used, quality = 0.85: * HA LYS 17 + HB2 LYS 20 OK 52 100 60 87 3.8-5.2 7998=31, 2003/3.9=30...(10) HA LYS 17 + HB3 LYS 20 OK 39 100 45 86 3.0-5.7 2003/3.9=30...(10) HA LYS 17 + HB3 LYS 16 OK 32 69 55 84 3.8-5.6 7996=23, 3.0/85=23...(11) HA LYS 17 + HB2 LYS 16 OK 28 65 50 84 3.8-5.1 3.0/85=23, 7996=23...(11) HB2 SER 99 - HB2 LYS 96 far 0 72 0 - 4.9-8.1 HB3 SER 99 - HB2 LYS 96 far 0 72 0 - 5.0-8.3 HA LEU 14 - HB2 LYS 16 far 0 60 0 - 5.6-7.9 HA LEU 14 - HB3 LYS 16 far 0 63 0 - 5.7-7.7 HA3 GLY 75 - HB2 LYS 73 far 0 42 0 - 6.7-7.9 HA3 GLY 75 - HB3 LYS 73 far 0 43 0 - 6.8-8.1 HA LEU 14 - HB3 LYS 20 far 0 97 0 - 8.0-10.6 HA LEU 14 - HB2 LYS 20 far 0 97 0 - 8.5-10.2 HA3 GLY 101 - HB3 LYS 73 far 0 53 0 - 8.6-12.5 HA3 GLY 101 - HB2 LYS 73 far 0 52 0 - 9.4-13.0 HA GLU 111 - HB2 LYS 20 far 0 99 0 - 9.6-13.1 HA GLU 111 - HB3 LYS 20 far 0 99 0 - 9.8-12.9 HA GLU 111 - HB3 LYS 16 far 0 67 0 - 10.0-13.1 Violated in 14 structures by 0.10 A. Peak 7998 from cnoeabs.peaks (1.89, 3.99, 59.84 ppm; 3.12 A): 4 out of 4 assignments used, quality = 0.88: HB2 LYS 20 + HA LYS 17 OK 51 100 60 85 3.8-5.2 7997=32, 3.9/2003=28...(10) HB3 LYS 16 + HA LYS 17 OK 38 94 50 81 3.8-5.6 7367/3.0=22, 7999=19...(11) * HB3 LYS 20 + HA LYS 17 OK 38 100 45 84 3.0-5.7 3.9/2003=28...(10) HB2 LYS 16 + HA LYS 17 OK 37 92 50 81 3.8-5.1 7367/3.0=22, 7997=17...(11) Violated in 17 structures by 0.17 A. Peak 7999 from cnoeabs.peaks (3.99, 1.89, 31.98 ppm; 3.21 A): 4 out of 17 assignments used, quality = 0.85: HA LYS 17 + HB2 LYS 20 OK 52 100 60 87 3.8-5.2 7998=31, 2003/3.9=30...(10) * HA LYS 17 + HB3 LYS 20 OK 39 100 45 86 3.0-5.7 2003/3.9=30...(10) HA LYS 17 + HB3 LYS 16 OK 32 69 55 84 3.8-5.6 7996=23, 3.0/85=23...(11) HA LYS 17 + HB2 LYS 16 OK 28 65 50 84 3.8-5.1 3.0/85=23, 7996=23...(11) HB2 SER 99 - HB2 LYS 96 far 0 72 0 - 4.9-8.1 HB3 SER 99 - HB2 LYS 96 far 0 72 0 - 5.0-8.3 HA LEU 14 - HB2 LYS 16 far 0 60 0 - 5.6-7.9 HA LEU 14 - HB3 LYS 16 far 0 63 0 - 5.7-7.7 HA3 GLY 75 - HB2 LYS 73 far 0 42 0 - 6.7-7.9 HA3 GLY 75 - HB3 LYS 73 far 0 43 0 - 6.8-8.1 HA LEU 14 - HB3 LYS 20 far 0 97 0 - 8.0-10.6 HA LEU 14 - HB2 LYS 20 far 0 97 0 - 8.5-10.2 HA3 GLY 101 - HB3 LYS 73 far 0 53 0 - 8.6-12.5 HA3 GLY 101 - HB2 LYS 73 far 0 52 0 - 9.4-13.0 HA GLU 111 - HB2 LYS 20 far 0 99 0 - 9.6-13.1 HA GLU 111 - HB3 LYS 20 far 0 99 0 - 9.8-12.9 HA GLU 111 - HB3 LYS 16 far 0 67 0 - 10.0-13.1 Violated in 14 structures by 0.10 A. Peak 8001 from cnoeabs.peaks (7.30, 3.37, 65.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HA ILE 18 OK 100 100 100 100 3.9-4.2 2001=100, 109/3.6=98...(8) Violated in 0 structures by 0.00 A. Peak 8002 from cnoeabs.peaks (7.67, 3.37, 65.47 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 21 + HA ILE 18 OK 100 100 100 100 3.2-3.7 2008=100, 1152/8005=66...(9) HE ARG 118 - HA ILE 18 far 10 100 10 - 5.8-12.2 Violated in 0 structures by 0.00 A. Peak 8003 from cnoeabs.peaks (2.12, 3.37, 65.47 ppm; 4.04 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 21 + HA ILE 18 OK 97 100 100 97 2.1-4.1 1.8/8005=73...(9) HG2 GLU 21 + HA ILE 18 OK 87 92 100 95 3.0-5.3 3.0/8005=58, 3.0/8004=37...(10) HG3 GLU 21 + HA ILE 18 OK 82 87 100 95 2.3-5.0 3.0/8005=58, 3.0/8004=37...(10) HB2 GLU 111 - HA ILE 18 far 0 70 0 - 9.6-11.5 HG3 GLN 83 - HA ILE 18 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 8004 from cnoeabs.peaks (3.37, 2.12, 29.43 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + HB2 GLU 21 OK 100 100 100 100 2.1-4.1 8005/1.8=99...(10) Violated in 0 structures by 0.00 A. Peak 8005 from cnoeabs.peaks (1.97, 3.37, 65.47 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 21 + HA ILE 18 OK 99 100 100 99 2.4-4.0 8006=79, 1152/2008=48...(11) HB VAL 22 - HA ILE 18 far 0 90 0 - 6.2-7.1 Violated in 0 structures by 0.00 A. Peak 8006 from cnoeabs.peaks (3.37, 1.97, 29.43 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + HB3 GLU 21 OK 100 100 100 100 2.4-4.0 8005=100, 2008/1152=56...(11) Violated in 0 structures by 0.00 A. Peak 8023 from cnoeabs.peaks (3.96, 2.97, 38.17 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.83: * HA GLU 21 + HB2 ASN 24 OK 72 100 85 85 3.2-8.1 11324=65, 11539/3.5=40 HA GLU 21 + HB3 ASN 24 OK 37 100 45 82 3.8-8.1 11324/1.8=57...(3) Violated in 10 structures by 0.49 A. Peak 8025 from cnoeabs.peaks (3.96, 2.97, 38.17 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.83: HA GLU 21 + HB2 ASN 24 OK 72 100 85 85 3.2-8.1 11324=65, 11539/3.5=40 * HA GLU 21 + HB3 ASN 24 OK 37 100 45 82 3.8-8.1 11324/1.8=57...(3) Violated in 10 structures by 0.49 A. Peak 8027 from cnoeabs.peaks (9.01, 4.05, 61.45 ppm; 6.19 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HA SER 35 OK 100 100 100 100 3.7-4.3 1881/3.6=100...(10) Violated in 0 structures by 0.00 A. Peak 8028 from cnoeabs.peaks (8.20, 4.05, 61.45 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA SER 35 OK 100 100 100 100 3.0-3.4 3.8/8029=61, 2031=54...(17) Violated in 0 structures by 0.00 A. Peak 8029 from cnoeabs.peaks (2.11, 4.05, 61.45 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LEU 38 + HA SER 35 OK 99 100 100 99 2.0-2.9 1.8/8032=57, 3.8/8028=40...(16) HG2 GLU 41 - HA SER 35 far 0 61 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 8030 from cnoeabs.peaks (4.05, 2.11, 41.07 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 35 + HB2 LEU 38 OK 100 100 100 100 2.0-2.9 8029=100, 8032/1.8=78...(16) HA GLU 37 + HB2 LEU 38 OK 62 84 100 74 5.5-5.6 3.6/1234=61, 2036/213=21 Violated in 0 structures by 0.00 A. Peak 8031 from cnoeabs.peaks (1.46, 4.05, 61.45 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 38 + HA SER 35 OK 100 100 100 100 3.6-4.5 1.8/8029=81, 8032=73...(16) HG2 LYS 39 + HA SER 35 OK 29 99 40 73 3.9-6.9 3588/8033=34...(9) Violated in 6 structures by 0.03 A. Peak 8032 from cnoeabs.peaks (4.05, 1.46, 41.07 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 35 + HB3 LEU 38 OK 100 100 100 100 3.6-4.5 8029/1.8=92, 8031=77...(16) HA GLU 37 - HB3 LEU 38 far 0 84 0 - 6.2-6.4 Violated in 1 structures by 0.00 A. Peak 8033 from cnoeabs.peaks (7.83, 4.05, 61.45 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA SER 35 OK 100 100 100 100 3.6-4.0 213/8029=79...(19) HE21 GLN 62 - HA SER 35 far 10 65 15 - 5.3-11.3 Violated in 0 structures by 0.00 A. Peak 8034 from cnoeabs.peaks (8.20, 4.52, 57.67 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA ASP 36 OK 100 100 100 100 4.1-4.8 1882/3.6=91, 2030/3.0=83...(5) Violated in 0 structures by 0.00 A. Peak 8035 from cnoeabs.peaks (7.83, 4.52, 57.67 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA ASP 36 OK 100 100 100 100 3.3-3.8 2035=100, 218/2041=70...(13) HE21 GLN 62 - HA ASP 36 far 0 65 0 - 9.6-15.9 Violated in 0 structures by 0.00 A. Peak 8036 from cnoeabs.peaks (1.93, 4.52, 57.67 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 39 + HA ASP 36 OK 99 100 100 99 2.4-4.5 8037=62, 1.8/8039=58...(12) HB3 LYS 39 + HA ASP 36 OK 80 81 100 99 3.6-4.9 1.8/8037=58, 4.0/2035=50...(12) HB3 GLU 41 - HA ASP 36 far 0 77 0 - 7.3-10.1 HB3 LYS 40 - HA ASP 36 far 0 90 0 - 7.3-8.2 HB2 GLU 41 - HA ASP 36 far 0 73 0 - 7.3-8.9 HB3 MET 42 - HA ASP 36 far 0 73 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 8037 from cnoeabs.peaks (4.52, 1.93, 32.05 ppm; 3.54 A): 2 out of 3 assignments used, quality = 0.97: * HA ASP 36 + HB2 LYS 39 OK 92 100 100 92 2.4-4.5 8038/1.8=33, 2035/4.0=32...(12) HA ASP 36 + HB3 LYS 39 OK 57 63 100 92 3.6-4.9 2035/4.0=32, 8038=28...(12) HA GLU 103 - HB2 LYS 123 far 0 53 0 - 9.2-11.8 Violated in 6 structures by 0.05 A. Peak 8038 from cnoeabs.peaks (1.95, 4.52, 57.67 ppm; 4.00 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HA ASP 36 OK 99 100 100 99 3.6-4.9 8039=62, 1.8/8037=53...(12) HB2 LYS 39 + HA ASP 36 OK 79 81 100 98 2.4-4.5 1.8/8039=53, 8037=46...(12) HB3 GLU 41 - HA ASP 36 far 0 100 0 - 7.3-10.1 HB3 LYS 40 - HA ASP 36 far 0 100 0 - 7.3-8.2 HB2 GLU 41 - HA ASP 36 far 0 100 0 - 7.3-8.9 HB3 MET 42 - HA ASP 36 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 8039 from cnoeabs.peaks (4.52, 1.95, 32.05 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.97: * HA ASP 36 + HB3 LYS 39 OK 93 100 100 93 3.6-4.9 8038=40, 2035/4.0=33...(12) HA ASP 36 + HB2 LYS 39 OK 58 63 100 93 2.4-4.5 8038/1.8=34, 2035/4.0=33...(11) HA GLU 103 - HB2 LYS 123 far 0 27 0 - 9.2-11.8 Violated in 5 structures by 0.04 A. Peak 8040 from cnoeabs.peaks (7.78, 4.52, 57.67 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HA ASP 36 OK 100 100 100 100 4.3-5.0 2041=100, 218/2035=86...(13) Violated in 0 structures by 0.00 A. Peak 8042 from cnoeabs.peaks (7.78, 4.06, 59.21 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 40 + HA GLU 37 OK 100 100 100 100 3.9-4.3 2040=100, 1251/8044=64...(5) H LYS 96 + HA LYS 96 OK 52 52 100 100 2.8-2.9 2.9=100 H LYS 96 - HA GLU 91 far 0 55 0 - 6.1-6.7 H LYS 40 - HA LYS 44 far 0 59 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 8043 from cnoeabs.peaks (1.99, 4.06, 59.21 ppm; 3.10 A): 2 out of 4 assignments used, quality = 0.91: * HB2 LYS 40 + HA GLU 37 OK 87 100 95 91 3.9-4.7 8044=75, 1251/2040=52 HB3 LYS 96 + HA LYS 96 OK 28 28 100 100 2.4-3.0 3.0=100 HB2 LYS 40 - HA LYS 44 far 0 59 0 - 5.0-5.5 HB3 LYS 96 - HA GLU 91 far 0 30 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 8044 from cnoeabs.peaks (4.06, 1.99, 32.40 ppm; 3.41 A): 1 out of 3 assignments used, quality = 0.94: * HA GLU 37 + HB2 LYS 40 OK 94 100 100 94 3.9-4.7 8043=75, 2040/1251=62 HA LYS 44 - HB2 LYS 40 far 0 100 0 - 5.0-5.5 HA SER 35 - HB2 LYS 40 far 0 84 0 - 8.5-9.2 Violated in 20 structures by 0.76 A. Peak 8045 from cnoeabs.peaks (1.95, 4.06, 59.21 ppm; 2.99 A): 1 out of 22 assignments used, quality = 0.55: HB3 LYS 40 + HA LYS 44 OK 55 59 100 94 3.5-3.9 8046=93, 7483/8047=6...(6) HB3 GLU 41 - HA GLU 37 far 0 99 0 - 4.5-7.8 HB2 LYS 39 - HA GLU 37 far 0 90 0 - 4.6-6.8 HB2 GLU 41 - HA GLU 37 far 0 99 0 - 5.0-6.8 HB3 LYS 39 - HA GLU 37 far 0 100 0 - 5.2-6.8 ! HB3 LYS 40 - HA GLU 37 far 0 100 0 - 5.5-6.4 HB2 LEU 70 - HA GLU 69 far 0 75 0 - 5.7-6.6 HB3 LYS 65 - HA GLU 69 far 0 60 0 - 6.5-8.5 HB2 LYS 65 - HA GLU 69 far 0 62 0 - 6.9-8.4 HB VAL 104 - HA LYS 96 far 0 57 0 - 7.2-8.7 HB3 LYS 65 - HA LYS 96 far 0 44 0 - 7.3-10.2 HB VAL 104 - HA GLU 91 far 0 60 0 - 7.3-9.0 HB3 MET 42 - HA LYS 44 far 0 56 0 - 7.4-7.9 HB3 LYS 39 - HA LYS 44 far 0 58 0 - 7.6-8.5 HB2 GLU 41 - HA LYS 44 far 0 56 0 - 7.6-8.2 HB2 LYS 65 - HA LYS 96 far 0 46 0 - 7.6-10.3 HB3 GLU 41 - HA LYS 44 far 0 57 0 - 7.8-8.4 HB3 MET 42 - HA GLU 69 far 0 73 0 - 8.1-9.4 HB2 LYS 39 - HA LYS 44 far 0 47 0 - 8.2-9.8 HB3 GLU 52 - HA LYS 44 far 0 54 0 - 8.8-17.0 HB2 LEU 70 - HA LYS 44 far 0 58 0 - 8.9-11.3 HB3 MET 42 - HA GLU 37 far 0 99 0 - 9.3-11.1 Violated in 20 structures by 0.69 A. Peak 8046 from cnoeabs.peaks (4.06, 1.95, 32.40 ppm; 3.06 A): 1 out of 10 assignments used, quality = 1.00: HA LYS 44 + HB3 LYS 40 OK 100 100 100 100 3.5-3.9 8045=100, 8047/7483=6...(8) ! HA GLU 37 - HB3 LYS 40 far 0 100 0 - 5.5-6.4 HA GLU 69 - HB3 LYS 65 far 0 62 0 - 6.5-8.5 HA GLU 69 - HB2 LYS 65 far 0 67 0 - 6.9-8.4 HA3 GLY 125 - HB2 LYS 123 far 0 72 0 - 7.0-7.5 HA LYS 96 - HB3 LYS 65 far 0 60 0 - 7.3-10.2 HA LYS 96 - HB2 LYS 65 far 0 65 0 - 7.6-10.3 HA2 GLY 125 - HB2 LYS 123 far 0 68 0 - 7.8-8.2 HA SER 35 - HB2 LYS 65 far 0 51 0 - 9.0-11.7 HA SER 35 - HB3 LYS 65 far 0 47 0 - 9.8-11.7 Violated in 20 structures by 0.61 A. Peak 8047 from cnoeabs.peaks (8.72, 4.06, 59.21 ppm; 5.13 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 41 + HA GLU 37 OK 100 100 100 100 4.1-5.1 2046=100, 228/2040=93...(4) H GLU 41 + HA LYS 44 OK 58 59 100 99 6.0-6.5 7483/8045=83, ~2060=48...(7) H ASN 50 - HA LYS 44 far 0 59 0 - 7.4-10.1 H ARG 105 - HA GLU 91 far 0 37 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 8048 from cnoeabs.peaks (7.78, 3.91, 59.13 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HA LEU 38 OK 100 100 100 100 4.2-5.0 218/3.6=99, 228/2045=82...(7) Violated in 0 structures by 0.00 A. Peak 8049 from cnoeabs.peaks (8.72, 3.91, 59.13 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HA LEU 38 OK 100 100 100 100 2.9-3.6 2045=100, 228/8048=66...(8) Violated in 0 structures by 0.00 A. Peak 8050 from cnoeabs.peaks (1.95, 3.91, 59.13 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.99: * HB2 GLU 41 + HA LEU 38 OK 90 100 100 90 1.7-3.1 4.0/2045=41, 4.7/8054=27...(11) HB3 GLU 41 + HA LEU 38 OK 90 100 100 90 1.7-3.9 4.0/2045=41, 4.7/8054=27...(11) HB2 LYS 39 - HA LEU 38 poor 17 73 35 66 5.4-6.6 4.3/8048=30, 3568/3.6=27...(5) HB3 LYS 39 - HA LEU 38 far 0 100 0 - 5.8-6.6 HB3 MET 42 - HA LEU 38 far 0 100 0 - 5.9-7.5 HB3 LYS 40 - HA LEU 38 far 0 99 0 - 6.5-7.4 HB2 LEU 70 - HA LEU 38 far 0 96 0 - 7.2-10.0 Violated in 0 structures by 0.00 A. Peak 8051 from cnoeabs.peaks (3.91, 1.95, 28.25 ppm; 5.14 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB2 GLU 41 OK 99 100 100 99 1.7-3.1 2045/4.0=66, 9404/3.0=47...(11) HA LEU 38 + HB3 GLU 41 OK 99 100 100 99 1.7-3.9 2045/4.0=66, 9404/3.0=47...(11) HA LEU 64 - HB2 GLU 41 far 0 99 0 - 7.0-8.8 HA LEU 64 - HB3 GLU 41 far 0 99 0 - 7.0-8.8 HB2 SER 35 - HB2 GLU 41 far 0 96 0 - 8.7-10.6 HB2 SER 35 - HB3 GLU 41 far 0 95 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 8052 from cnoeabs.peaks (1.95, 3.91, 59.13 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.99: HB2 GLU 41 + HA LEU 38 OK 90 100 100 90 1.7-3.1 4.0/2045=41, 4.7/8054=27...(11) * HB3 GLU 41 + HA LEU 38 OK 90 100 100 90 1.7-3.9 4.0/2045=41, 4.7/8054=27...(11) HB2 LYS 39 - HA LEU 38 poor 19 77 35 70 5.4-6.6 4.3/8048=30, 3568/3.6=29...(6) HB3 LYS 39 - HA LEU 38 far 0 100 0 - 5.8-6.6 HB3 MET 42 - HA LEU 38 far 0 100 0 - 5.9-7.5 HB3 LYS 40 - HA LEU 38 far 0 99 0 - 6.5-7.4 HB2 LEU 70 - HA LEU 38 far 0 97 0 - 7.2-10.0 Violated in 0 structures by 0.00 A. Peak 8053 from cnoeabs.peaks (3.91, 1.95, 28.25 ppm; 5.14 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB3 GLU 41 OK 99 100 100 99 1.7-3.9 2045/4.0=66, 9404/3.0=47...(11) HA LEU 38 + HB2 GLU 41 OK 99 100 100 99 1.7-3.1 2045/4.0=66, 9404/3.0=47...(11) HA LEU 64 - HB2 GLU 41 far 0 99 0 - 7.0-8.8 HA LEU 64 - HB3 GLU 41 far 0 99 0 - 7.0-8.8 HB2 SER 35 - HB2 GLU 41 far 0 95 0 - 8.7-10.6 HB2 SER 35 - HB3 GLU 41 far 0 96 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 8054 from cnoeabs.peaks (8.78, 3.91, 59.13 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H MET 42 + HA LEU 38 OK 100 100 100 100 3.9-4.8 2051=83, 1886/2045=81...(12) H ASN 59 - HA LEU 38 far 0 77 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 8055 from cnoeabs.peaks (8.72, 3.84, 59.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HA LYS 39 OK 100 100 100 100 4.2-4.7 2043=100, 228/3.6=99...(7) Violated in 0 structures by 0.00 A. Peak 8056 from cnoeabs.peaks (8.78, 3.84, 59.87 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + HA LYS 39 OK 100 100 100 100 4.1-4.6 2050=100, 11316/3.6=47...(9) Violated in 9 structures by 0.03 A. Peak 8057 from cnoeabs.peaks (2.19, 3.84, 59.87 ppm; 4.31 A): 0 out of 5 assignments used, quality = 0.00: HB2 MET 67 - HA LYS 39 far 4 87 5 - 5.7-9.9 HG3 GLU 66 - HA LYS 39 far 0 99 0 - 5.9-7.6 ! HB2 MET 42 - HA LYS 39 far 0 100 0 - 6.1-6.9 HB3 GLU 37 - HA LYS 39 far 0 73 0 - 7.7-8.3 HB2 GLU 69 - HA LYS 39 far 0 92 0 - 8.3-11.6 Violated in 20 structures by 1.00 A. Peak 8058 from cnoeabs.peaks (3.84, 2.19, 31.25 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 MET 42 OK 100 100 100 100 6.1-6.9 2050/3.9=83...(6) Violated in 20 structures by 0.65 A. Peak 8059 from cnoeabs.peaks (1.95, 3.84, 59.87 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 39 + HA LYS 39 OK 73 73 100 100 2.3-3.0 3.0=100 ! HB3 MET 42 - HA LYS 39 poor 15 100 20 74 4.4-6.2 3.9/2050=23...(8) HB2 GLU 41 - HA LYS 39 far 0 100 0 - 4.7-6.9 HB3 GLU 41 - HA LYS 39 far 0 100 0 - 5.4-6.5 HB2 LEU 70 - HA LYS 39 far 0 96 0 - 5.5-7.7 HB3 LYS 40 - HA LYS 39 far 0 99 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 8060 from cnoeabs.peaks (3.84, 1.95, 31.25 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 MET 42 OK 100 100 100 100 4.4-6.2 8058/1.8=85, 2050/3.9=84...(8) Violated in 1 structures by 0.01 A. Peak 8061 from cnoeabs.peaks (7.50, 3.84, 59.87 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HA LYS 39 OK 100 100 100 100 4.1-4.8 2056=100, 244/2050=81...(10) Violated in 0 structures by 0.00 A. Peak 8062 from cnoeabs.peaks (8.78, 4.02, 59.59 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: * H MET 42 + HA LYS 40 OK 99 100 100 99 4.1-4.6 1886/3.6=79, 244/2055=78...(4) Violated in 0 structures by 0.00 A. Peak 8063 from cnoeabs.peaks (7.50, 4.02, 59.59 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HA LYS 40 OK 100 100 100 100 2.9-3.2 2055=100, 244/8062=48...(10) Violated in 0 structures by 0.00 A. Peak 8064 from cnoeabs.peaks (1.91, 4.02, 59.59 ppm; 2.88 A): 2 out of 9 assignments used, quality = 0.97: * HB2 LYS 43 + HA LYS 40 OK 85 100 100 85 1.8-2.2 8065=52, 1.8/8067=34...(9) HB3 LYS 43 + HA LYS 40 OK 82 98 100 83 3.1-3.7 8067=49, 1.8/8065=35...(9) HB3 LYS 44 - HA LYS 40 poor 20 100 20 - 2.7-5.7 HB2 LYS 44 - HA LYS 40 far 15 99 15 - 3.0-5.5 HB3 LYS 123 - HA GLU 119 far 0 91 0 - 6.1-6.8 HG2 MET 121 - HA GLU 119 far 0 85 0 - 6.2-8.2 HB2 LEU 45 - HA LYS 40 far 0 100 0 - 7.3-8.2 HB2 LYS 49 - HA LYS 40 far 0 96 0 - 8.6-15.7 HB2 LEU 81 - HA GLU 119 far 0 80 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 8065 from cnoeabs.peaks (4.02, 1.91, 31.96 ppm; 2.84 A): 2 out of 12 assignments used, quality = 0.96: * HA LYS 40 + HB2 LYS 43 OK 83 100 100 83 1.8-2.2 8064=49, 8066/1.8=32...(9) HA LYS 40 + HB3 LYS 43 OK 78 96 100 81 3.1-3.7 8064=47, 8064/1.8=33...(9) HA LYS 40 - HB3 LYS 44 poor 19 97 20 - 2.7-5.7 HA LYS 40 - HB2 LYS 44 far 14 94 15 - 3.0-5.5 HA GLU 92 - HB2 LYS 96 far 0 78 0 - 6.6-8.0 HA3 GLY 75 - HB2 LYS 73 far 0 47 0 - 6.7-7.9 HA3 GLY 75 - HB3 LYS 73 far 0 43 0 - 6.8-8.1 HA GLU 66 - HB3 LYS 73 far 0 51 0 - 8.5-12.2 HA3 GLY 101 - HB3 LYS 73 far 0 38 0 - 8.6-12.5 HA3 GLY 101 - HB2 LYS 73 far 0 41 0 - 9.4-13.0 HA GLU 66 - HB2 LYS 73 far 0 55 0 - 9.4-11.7 HA GLU 66 - HB2 LYS 96 far 0 88 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 8066 from cnoeabs.peaks (1.90, 4.02, 59.59 ppm; 2.88 A): 2 out of 10 assignments used, quality = 0.97: * HB3 LYS 43 + HA LYS 40 OK 84 100 100 84 3.1-3.7 8067=51, 1.8/8065=35...(9) HB2 LYS 43 + HA LYS 40 OK 83 98 100 85 1.8-2.2 8065=50, 1.8/8067=34...(9) HB3 LYS 44 - HA LYS 40 poor 20 99 20 - 2.7-5.7 HB2 LYS 44 - HA LYS 40 far 14 92 15 - 3.0-5.5 HG LEU 45 - HA LYS 40 far 0 61 0 - 5.9-7.4 HB3 LYS 123 - HA GLU 119 far 0 77 0 - 6.1-6.8 HG2 MET 121 - HA GLU 119 far 0 66 0 - 6.2-8.2 HB2 LEU 45 - HA LYS 40 far 0 100 0 - 7.3-8.2 HB2 LYS 49 - HA LYS 40 far 0 100 0 - 8.6-15.7 HB2 LEU 81 - HA GLU 119 far 0 59 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 8067 from cnoeabs.peaks (4.02, 1.90, 31.96 ppm; 2.84 A): 2 out of 14 assignments used, quality = 0.96: * HA LYS 40 + HB3 LYS 43 OK 82 100 100 82 3.1-3.7 8066=48, 8064/1.8=33...(9) HA LYS 40 + HB2 LYS 43 OK 79 96 100 83 1.8-2.2 8066=48, 8066/1.8=32...(9) HA LYS 40 - HB3 LYS 44 poor 18 92 20 - 2.7-5.7 HA LYS 40 - HB2 LYS 44 far 11 77 15 - 3.0-5.5 HA GLU 92 - HB2 LYS 96 far 0 86 0 - 6.6-8.0 HA3 GLY 75 - HB2 LYS 73 far 0 67 0 - 6.7-7.9 HA3 GLY 75 - HB3 LYS 73 far 0 64 0 - 6.8-8.1 HA GLU 66 - HB3 LYS 73 far 0 74 0 - 8.5-12.2 HA3 GLY 101 - HB3 LYS 73 far 0 57 0 - 8.6-12.5 HA GLU 13 - HB3 LYS 20 far 0 76 0 - 8.7-11.1 HA3 GLY 101 - HB2 LYS 73 far 0 59 0 - 9.4-13.0 HA GLU 66 - HB2 LYS 73 far 0 76 0 - 9.4-11.7 HA GLU 13 - HB2 LYS 20 far 0 76 0 - 9.6-10.6 HA GLU 66 - HB2 LYS 96 far 0 95 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 8070 from cnoeabs.peaks (7.45, 4.26, 58.07 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + HA GLU 41 OK 100 100 100 100 3.9-4.5 2060=100, 2052/3.6=60...(10) Violated in 0 structures by 0.00 A. Peak 8071 from cnoeabs.peaks (1.91, 4.26, 58.07 ppm; 3.51 A): 2 out of 7 assignments used, quality = 0.96: HB3 LYS 44 + HA GLU 41 OK 86 99 95 92 3.4-5.2 8074=54, 4.0/2060=36...(9) * HB2 LYS 44 + HA GLU 41 OK 73 100 80 92 3.1-5.3 8072=46, 1.8/8074=40...(9) HB2 LYS 43 - HA GLU 41 far 0 99 0 - 5.8-6.3 HB2 LEU 45 - HA GLU 41 far 0 97 0 - 6.7-8.0 HB3 LYS 43 - HA GLU 41 far 0 92 0 - 7.2-7.7 HB2 LYS 49 - HA GLU 41 far 0 87 0 - 9.0-16.0 HB ILE 71 - HA GLU 41 far 0 77 0 - 9.2-12.5 Violated in 5 structures by 0.08 A. Peak 8072 from cnoeabs.peaks (4.26, 1.91, 32.07 ppm; 3.51 A): 2 out of 15 assignments used, quality = 0.96: HA GLU 41 + HB3 LYS 44 OK 85 97 95 92 3.4-5.2 8071=54, 2060/4.0=36...(9) * HA GLU 41 + HB2 LYS 44 OK 73 100 80 91 3.1-5.3 8071=46, 8073/1.8=39...(9) HA GLU 41 - HB2 LYS 43 far 0 94 0 - 5.8-6.3 HA GLU 47 - HB3 LYS 43 far 0 57 0 - 6.2-7.4 HA ALA 46 - HB3 LYS 43 far 0 63 0 - 6.5-7.2 HA GLU 47 - HB2 LYS 44 far 0 84 0 - 6.9-8.3 HA GLU 47 - HB3 LYS 44 far 0 78 0 - 6.9-8.2 HA GLU 41 - HB3 LYS 43 far 0 77 0 - 7.2-7.7 HA ALA 46 - HB3 LYS 44 far 0 84 0 - 7.4-8.4 HA GLU 47 - HB2 LYS 43 far 0 74 0 - 7.5-8.6 HA GLU 52 - HB3 LYS 44 far 0 95 0 - 7.6-15.5 HA ALA 46 - HB2 LYS 44 far 0 90 0 - 7.6-8.4 HA ALA 46 - HB2 LYS 43 far 0 80 0 - 7.7-8.2 HA LEU 127 - HB3 LYS 123 far 0 37 0 - 7.7-9.6 HA GLU 52 - HB2 LYS 44 far 0 99 0 - 7.7-15.3 Violated in 5 structures by 0.09 A. Peak 8073 from cnoeabs.peaks (1.91, 4.26, 58.07 ppm; 3.51 A): 2 out of 7 assignments used, quality = 0.97: * HB3 LYS 44 + HA GLU 41 OK 87 100 95 92 3.4-5.2 8074=55, 4.0/2060=36...(9) HB2 LYS 44 + HA GLU 41 OK 72 99 80 91 3.1-5.3 8072=46, 1.8/8074=40...(9) HB2 LYS 43 - HA GLU 41 far 0 100 0 - 5.8-6.3 HB2 LEU 45 - HA GLU 41 far 0 100 0 - 6.7-8.0 HB3 LYS 43 - HA GLU 41 far 0 99 0 - 7.2-7.7 HB2 LYS 49 - HA GLU 41 far 0 97 0 - 9.0-16.0 HB ILE 71 - HA GLU 41 far 0 92 0 - 9.2-12.5 Violated in 5 structures by 0.08 A. Peak 8074 from cnoeabs.peaks (4.26, 1.91, 32.07 ppm; 3.51 A): 2 out of 17 assignments used, quality = 0.96: * HA GLU 41 + HB3 LYS 44 OK 87 100 95 92 3.4-5.2 8073=54, 2060/4.0=36...(9) HA GLU 41 + HB2 LYS 44 OK 71 97 80 91 3.1-5.3 8073=45, 8073/1.8=39...(9) HA GLU 41 - HB2 LYS 43 far 0 97 0 - 5.8-6.3 HA GLU 47 - HB3 LYS 43 far 0 72 0 - 6.2-7.4 HA ALA 46 - HB3 LYS 43 far 0 78 0 - 6.5-7.2 HA GLU 47 - HB2 LYS 44 far 0 78 0 - 6.9-8.3 HA GLU 47 - HB3 LYS 44 far 0 84 0 - 6.9-8.2 HA GLU 41 - HB3 LYS 43 far 0 92 0 - 7.2-7.7 HA ALA 46 - HB3 LYS 44 far 0 90 0 - 7.4-8.4 HA GLU 47 - HB2 LYS 43 far 0 77 0 - 7.5-8.6 HA GLU 52 - HB3 LYS 44 far 0 99 0 - 7.6-15.5 HA ALA 46 - HB2 LYS 44 far 0 84 0 - 7.6-8.4 HA ALA 46 - HB2 LYS 43 far 0 83 0 - 7.7-8.2 HA LEU 127 - HB3 LYS 123 far 0 31 0 - 7.7-9.6 HA GLU 52 - HB2 LYS 44 far 0 95 0 - 7.7-15.3 HA ALA 46 - HB2 LYS 73 far 0 61 0 - 8.4-12.3 HA ALA 46 - HB3 LYS 73 far 0 57 0 - 9.2-12.1 Violated in 5 structures by 0.09 A. Peak 8077 from cnoeabs.peaks (8.16, 4.38, 57.05 ppm; 5.88 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + HA MET 42 OK 100 100 100 100 4.0-4.5 2065=100, 1296/9434=86...(10) Violated in 0 structures by 0.00 A. Peak 8078 from cnoeabs.peaks (1.90, 4.38, 57.05 ppm; 3.69 A): 2 out of 8 assignments used, quality = 0.93: * HB2 LEU 45 + HA MET 42 OK 89 100 90 98 4.0-5.4 8079=57, 1.8/8081=50...(12) HB2 LYS 44 + HA MET 42 OK 35 97 65 56 4.5-7.4 4.7/2065=32, 4.0/2058=20...(5) HB3 LYS 44 - HA MET 42 far 10 100 10 - 4.6-7.3 HB2 LYS 43 - HA MET 42 far 0 100 0 - 5.6-5.8 HB ILE 71 - HA MET 42 far 0 96 0 - 6.0-8.4 HB3 LYS 43 - HA MET 42 far 0 100 0 - 6.6-6.6 HB2 LYS 73 - HA MET 42 far 0 94 0 - 7.2-11.4 HB3 LYS 73 - HA MET 42 far 0 92 0 - 8.9-10.9 Violated in 20 structures by 0.56 A. Peak 8079 from cnoeabs.peaks (4.38, 1.90, 41.77 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 42 + HB2 LEU 45 OK 100 100 100 100 4.0-5.4 8081/1.8=75, 8078=72...(12) HA GLU 48 - HB2 LEU 45 far 0 92 0 - 6.5-8.1 HA SER 72 - HB2 LEU 45 far 0 65 0 - 10.0-12.1 Violated in 13 structures by 0.24 A. Peak 8080 from cnoeabs.peaks (1.49, 4.38, 57.05 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.90: * HB3 LEU 45 + HA MET 42 OK 90 100 90 100 5.1-6.5 8081=100, 1.8/8079=87...(12) HG2 ARG 30 - HA MET 42 far 0 90 0 - 7.2-10.3 HG3 LYS 73 - HA MET 42 far 0 96 0 - 7.9-11.1 Violated in 20 structures by 0.93 A. Peak 8081 from cnoeabs.peaks (4.38, 1.49, 41.77 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.80: * HA MET 42 + HB3 LEU 45 OK 80 100 80 100 5.1-6.5 8080=86, 8079/1.8=81...(12) HA GLU 48 - HB3 LEU 45 far 5 92 5 - 5.8-7.7 Violated in 20 structures by 1.16 A. Peak 8082 from cnoeabs.peaks (7.64, 4.38, 57.05 ppm; 6.05 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 46 + HA MET 42 OK 100 100 100 100 5.1-5.6 2071=100, 1890/2065=94...(8) HD21 ASN 50 - HA MET 42 far 5 99 5 - 7.5-16.0 H GLU 69 - HA MET 42 far 0 92 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 8084 from cnoeabs.peaks (7.64, 4.09, 59.39 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HA LYS 43 OK 100 100 100 100 3.4-3.5 2070=100, 1301/8085=71...(4) HD21 ASN 50 - HA LYS 43 far 0 99 0 - 9.1-15.9 Violated in 0 structures by 0.00 A. Peak 8085 from cnoeabs.peaks (1.55, 4.09, 59.39 ppm; 3.13 A): 1 out of 5 assignments used, quality = 0.89: * QB ALA 46 + HA LYS 43 OK 89 100 100 89 2.5-3.3 8086=76, 1301/2070=52, ~9454=3 HD2 LYS 94 - HA GLU 91 poor 19 23 85 - 2.0-5.1 HD3 LYS 94 - HA GLU 91 poor 18 23 80 - 2.0-5.5 HD2 LYS 106 - HA GLU 91 poor 9 25 35 - 3.3-7.0 HD3 LYS 106 - HA GLU 91 poor 5 24 20 - 2.2-6.9 Violated in 2 structures by 0.01 A. Peak 8086 from cnoeabs.peaks (4.09, 1.55, 18.88 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 43 + QB ALA 46 OK 100 100 100 100 2.5-3.3 8085=100, 2070/1301=61...(4) Violated in 0 structures by 0.00 A. Peak 8089 from cnoeabs.peaks (7.71, 4.06, 59.50 ppm; 3.75 A): 3 out of 3 assignments used, quality = 1.00: * H GLU 47 + HA LYS 44 OK 99 100 100 99 3.4-3.7 2074=74, 1305/8092=61...(8) H LEU 70 + HA GLU 69 OK 91 91 100 100 3.5-3.6 3.6=100 H LYS 73 + HA GLU 69 OK 64 81 95 83 3.5-5.4 2127=47, 448/2122=38...(6) Violated in 0 structures by 0.00 A. Peak 8090 from cnoeabs.peaks (2.06, 4.06, 59.50 ppm; 2.79 A): 1 out of 8 assignments used, quality = 0.20: * HB2 GLU 47 + HA LYS 44 OK 20 100 30 68 3.8-4.6 8091=27, 1.8/8093=26...(4) HB3 GLN 100 - HA GLU 69 far 0 86 0 - 4.7-7.4 HB2 GLU 48 - HA LYS 44 far 0 73 0 - 4.7-8.0 HB3 GLU 48 - HA LYS 44 far 0 73 0 - 5.4-8.9 HB2 GLU 66 - HA GLU 69 far 0 63 0 - 7.5-8.7 HB3 MET 67 - HA GLU 69 far 0 87 0 - 7.7-8.3 HB3 MET 67 - HA GLU 37 far 0 54 0 - 9.3-10.9 HG3 GLU 52 - HA LYS 44 far 0 87 0 - 9.6-17.2 Violated in 20 structures by 1.59 A. Peak 8091 from cnoeabs.peaks (4.06, 2.06, 30.42 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + HB2 GLU 47 OK 100 100 100 100 3.8-4.6 8090=100, 8092/1.8=99...(6) Violated in 13 structures by 0.11 A. Peak 8092 from cnoeabs.peaks (2.11, 4.06, 59.50 ppm; 2.96 A): 1 out of 4 assignments used, quality = 0.75: * HB3 GLU 47 + HA LYS 44 OK 75 100 100 75 2.3-3.1 1.8/8091=31, 8093=31...(4) HB2 LEU 38 - HA GLU 37 far 0 57 0 - 5.5-5.6 HB3 GLU 66 - HA GLU 69 far 0 59 0 - 7.9-8.6 HG2 GLU 52 - HA LYS 44 far 0 92 0 - 8.3-17.2 Violated in 17 structures by 0.08 A. Peak 8093 from cnoeabs.peaks (4.06, 2.11, 30.42 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + HB3 GLU 47 OK 100 100 100 100 2.3-3.1 8092=100, 8090/1.8=100...(6) Violated in 0 structures by 0.00 A. Peak 8095 from cnoeabs.peaks (7.67, 3.72, 59.63 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 63 + HA LYS 61 OK 98 100 100 98 3.9-4.3 1905/3.6=82, 384/2083=70...(5) Violated in 0 structures by 0.00 A. Peak 8096 from cnoeabs.peaks (7.63, 3.72, 59.63 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HA LYS 61 OK 100 100 100 100 3.6-4.0 2083=100, 384/8095=75...(9) HD21 ASN 10 - HA LYS 61 far 0 77 0 - 6.7-11.5 H GLU 69 - HA LYS 61 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8097 from cnoeabs.peaks (1.79, 3.72, 59.63 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 64 + HA LYS 61 OK 100 100 100 100 2.9-5.4 8098=90, 1.8/8100=68...(8) HB ILE 97 - HA LYS 61 far 0 61 0 - 8.7-10.7 HB VAL 32 - HA LYS 61 far 0 84 0 - 9.2-10.2 Violated in 16 structures by 0.22 A. Peak 8098 from cnoeabs.peaks (3.72, 1.79, 41.35 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HB2 LEU 64 OK 100 100 100 100 2.9-5.4 8097=100, 8100/1.8=72...(8) Violated in 9 structures by 0.13 A. Peak 8099 from cnoeabs.peaks (1.63, 3.72, 59.63 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.99: * HB3 LEU 64 + HA LYS 61 OK 99 100 100 99 2.7-4.0 1.8/8097=63, 8100=58...(11) HG LEU 64 + HA LYS 61 OK 56 84 70 96 3.8-6.3 2.1/9694=61, 3.0/8097=50...(9) HG LEU 63 - HA LYS 61 far 0 94 0 - 6.3-7.2 HB2 LEU 82 - HA LYS 61 far 0 96 0 - 7.1-10.1 Violated in 1 structures by 0.00 A. Peak 8100 from cnoeabs.peaks (3.72, 1.63, 41.35 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HB3 LEU 64 OK 100 100 100 100 2.7-4.0 8097/1.8=86, 8099=64...(11) Violated in 0 structures by 0.00 A. Peak 8101 from cnoeabs.peaks (8.04, 3.72, 59.63 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 65 + HA LYS 61 OK 100 100 100 100 3.9-4.4 1907/2083=87...(11) H THR 9 + HA LYS 61 OK 45 98 95 48 6.5-7.8 41/9657=31, 7620/9694=18 Violated in 0 structures by 0.00 A. Peak 8102 from cnoeabs.peaks (7.63, 4.11, 58.30 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + HA GLN 62 OK 100 100 100 100 4.7-5.0 2081=100, 384/377=93...(7) H GLU 69 - HA GLN 62 far 0 100 0 - 8.4-8.9 Violated in 9 structures by 0.02 A. Peak 8103 from cnoeabs.peaks (8.04, 4.11, 58.30 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + HA GLN 62 OK 100 100 100 100 3.6-4.1 2087=100, 1908/2093=60...(7) Violated in 2 structures by 0.00 A. Peak 8104 from cnoeabs.peaks (1.93, 4.11, 58.30 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.77: * HB2 LYS 65 + HA GLN 62 OK 71 100 80 89 2.5-4.6 8105=78, 4.0/2087=25...(4) HB3 LYS 65 + HA GLN 62 OK 20 100 25 80 2.9-5.1 1.8/8105=56, 4.0/2087=25...(4) Violated in 9 structures by 0.05 A. Peak 8105 from cnoeabs.peaks (4.11, 1.93, 32.27 ppm; 2.84 A): 1 out of 11 assignments used, quality = 0.65: * HA GLN 62 + HB2 LYS 65 OK 65 100 80 82 2.5-4.6 8104=66, 2087/4.0=22...(4) HA GLN 62 - HB3 LYS 65 poor 18 100 25 73 2.9-5.1 8104/1.8=48, 2087/4.0=22...(4) HA LYS 43 - HB3 LYS 40 far 0 40 0 - 6.2-6.8 HA LYS 43 - HB3 LYS 39 far 0 24 0 - 6.5-7.7 HA LYS 43 - HB2 LYS 39 far 0 48 0 - 7.3-8.9 HA ASP 110 - HB2 LYS 115 far 0 80 0 - 7.8-10.2 HA ASP 110 - HB3 LYS 115 far 0 88 0 - 8.2-10.6 HB2 SER 72 - HB3 LYS 65 far 0 69 0 - 8.5-11.1 HB3 SER 72 - HB3 LYS 65 far 0 69 0 - 8.7-12.1 HB2 SER 72 - HB2 LYS 65 far 0 70 0 - 9.0-11.6 HB3 SER 72 - HB2 LYS 65 far 0 70 0 - 9.2-11.9 Violated in 19 structures by 0.54 A. Peak 8106 from cnoeabs.peaks (1.93, 4.11, 58.30 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.77: HB2 LYS 65 + HA GLN 62 OK 71 100 80 89 2.5-4.6 8107=78, 4.0/2087=25...(4) * HB3 LYS 65 + HA GLN 62 OK 20 100 25 80 2.9-5.1 1.8/8105=56, 4.0/2087=25...(4) Violated in 9 structures by 0.05 A. Peak 8107 from cnoeabs.peaks (4.11, 1.93, 32.27 ppm; 2.84 A): 1 out of 11 assignments used, quality = 0.65: HA GLN 62 + HB2 LYS 65 OK 65 100 80 82 2.5-4.6 8106=66, 2087/4.0=22...(4) ! HA GLN 62 - HB3 LYS 65 poor 18 100 25 73 2.9-5.1 8104/1.8=48, 2087/4.0=22...(4) HA LYS 43 - HB3 LYS 40 far 0 37 0 - 6.2-6.8 HA LYS 43 - HB3 LYS 39 far 0 21 0 - 6.5-7.7 HA LYS 43 - HB2 LYS 39 far 0 47 0 - 7.3-8.9 HA ASP 110 - HB2 LYS 115 far 0 83 0 - 7.8-10.2 HA ASP 110 - HB3 LYS 115 far 0 88 0 - 8.2-10.6 HB2 SER 72 - HB3 LYS 65 far 0 70 0 - 8.5-11.1 HB3 SER 72 - HB3 LYS 65 far 0 70 0 - 8.7-12.1 HB2 SER 72 - HB2 LYS 65 far 0 69 0 - 9.0-11.6 HB3 SER 72 - HB2 LYS 65 far 0 69 0 - 9.2-11.9 Violated in 19 structures by 0.54 A. Peak 8108 from cnoeabs.peaks (7.80, 4.11, 58.30 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HA GLN 62 OK 100 100 100 100 3.8-4.4 2093=100, 1908/2087=49...(5) Violated in 17 structures by 0.18 A. Peak 8109 from cnoeabs.peaks (8.04, 4.13, 56.64 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + HA LEU 63 OK 100 100 100 100 4.1-4.9 1908/2092=88...(6) Violated in 0 structures by 0.00 A. Peak 8110 from cnoeabs.peaks (7.80, 4.13, 56.64 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HA LEU 63 OK 100 100 100 100 3.3-4.0 2092=100, 1435/8113=68...(12) Violated in 0 structures by 0.00 A. Peak 8111 from cnoeabs.peaks (2.04, 4.13, 56.64 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.99: * HB2 GLU 66 + HA LEU 63 OK 99 100 100 99 2.3-5.4 1.8/8113=81...(11) HB3 MET 67 - HA LEU 63 poor 15 94 25 63 4.5-7.1 4.0/2098=29, 4.3/4711=22...(9) Violated in 5 structures by 0.23 A. Peak 8112 from cnoeabs.peaks (4.13, 2.04, 29.26 ppm; 2.95 A): 4 out of 10 assignments used, quality = 0.99: HA GLU 89 + HB2 GLU 89 OK 83 84 100 100 2.4-3.0 3.0=94, 3.0/1586=22...(32) HA GLU 89 + HB3 GLU 89 OK 83 84 100 100 2.4-2.6 3.0=94, 3.0/1587=22...(31) * HA LEU 63 + HB2 GLU 66 OK 68 100 75 90 2.3-5.4 8113/1.8=44, 8111=35...(10) HA ARG 95 + HB3 GLU 98 OK 21 33 100 63 1.8-3.6 8219/1.8=31, 8221=22...(6) HB2 SER 72 - HB3 GLN 100 far 7 72 10 - 4.3-7.3 HB3 SER 72 - HB3 GLN 100 far 0 72 0 - 5.1-8.5 HA ARG 95 - HB3 GLN 100 far 0 59 0 - 7.3-9.9 HB3 SER 72 - HB2 GLU 66 far 0 87 0 - 9.6-12.2 HA GLU 89 - HB3 GLN 85 far 0 81 0 - 9.7-11.4 HB2 SER 72 - HB2 GLU 66 far 0 87 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 8113 from cnoeabs.peaks (2.09, 4.13, 56.64 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 66 + HA LEU 63 OK 99 100 100 99 2.6-4.2 8114=65, 1.8/8111=60...(8) HB3 GLU 69 - HA LEU 63 far 0 99 0 - 9.2-10.8 Violated in 11 structures by 0.06 A. Peak 8114 from cnoeabs.peaks (4.13, 2.09, 29.26 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 63 + HB3 GLU 66 OK 99 100 100 99 2.6-4.2 8113=80, 8111/1.8=52...(7) HB3 SER 72 + HB3 GLU 69 OK 53 75 95 75 4.2-5.1 8152/5000=30, ~8153=19...(8) HB2 SER 72 - HB3 GLU 69 far 0 75 0 - 5.0-6.5 HA LEU 63 - HB3 GLU 69 far 0 92 0 - 9.2-10.8 HB3 SER 72 - HB3 GLU 66 far 0 87 0 - 10.0-11.9 Violated in 13 structures by 0.12 A. Peak 8116 from cnoeabs.peaks (7.80, 3.91, 57.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HA LEU 64 OK 100 100 100 100 4.5-5.1 2090=100, 1908/3.6=98...(10) Violated in 0 structures by 0.00 A. Peak 8117 from cnoeabs.peaks (8.39, 3.91, 57.78 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + HA LEU 64 OK 100 100 100 100 3.5-4.0 2097=100, 1440/8118=78...(14) H PHE 79 - HA LEU 64 far 0 57 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8118 from cnoeabs.peaks (2.20, 3.91, 57.78 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 67 + HA LEU 64 OK 100 100 100 100 2.9-4.4 1.8/8120=90...(12) HG3 GLU 66 - HA LEU 64 far 7 73 10 - 5.1-8.2 HB3 MET 1 - HA GLU 128 lone 0 86 40 1 2.9-8.1 HB2 GLU 69 - HA LEU 64 far 0 100 0 - 7.9-9.6 HB2 MET 42 - HA LEU 64 far 0 87 0 - 8.7-9.8 Violated in 3 structures by 0.01 A. Peak 8119 from cnoeabs.peaks (3.91, 2.20, 33.44 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 64 + HB2 MET 67 OK 100 100 100 100 2.9-4.4 8118=100, 8120/1.8=97...(12) HA LEU 38 + HB2 MET 67 OK 85 99 90 95 4.2-7.1 11230/4950=60...(7) HA GLU 128 - HB3 MET 1 lone 0 60 50 1 2.9-8.1 HB2 SER 35 - HB2 MET 67 far 0 87 0 - 7.7-12.1 Violated in 0 structures by 0.00 A. Peak 8120 from cnoeabs.peaks (2.05, 3.91, 57.78 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.95: * HB3 MET 67 + HA LEU 64 OK 95 100 100 95 2.4-5.0 1.8/8118=58, 8121=40...(9) HB2 MET 1 - HA GLU 128 poor 12 49 25 - 4.1-8.0 HB2 GLU 66 - HA LEU 64 far 0 94 0 - 5.3-7.6 HG3 GLU 52 - HA GLU 128 far 0 86 0 - 7.6-13.6 Violated in 15 structures by 0.77 A. Peak 8121 from cnoeabs.peaks (3.91, 2.05, 33.44 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HB3 MET 67 OK 100 100 100 100 2.4-5.0 8120=100, 8118/1.8=78...(9) HA LEU 38 + HB3 MET 67 OK 56 99 75 76 4.6-6.4 11230/4.3=46...(4) HB2 SER 35 - HB3 MET 67 far 0 87 0 - 8.9-11.3 Violated in 11 structures by 0.06 A. Peak 8122 from cnoeabs.peaks (8.47, 3.91, 57.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HA LEU 64 OK 100 100 100 100 3.7-4.1 2103=100, 414/2097=96...(10) Violated in 0 structures by 0.00 A. Peak 8123 from cnoeabs.peaks (8.39, 3.79, 60.23 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + HA LYS 65 OK 100 100 100 100 4.3-4.6 408/3.6=99, 2089/3.0=97...(10) Violated in 0 structures by 0.00 A. Peak 8124 from cnoeabs.peaks (8.47, 3.79, 60.23 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HA LYS 65 OK 100 100 100 100 3.3-3.9 421/8129=82...(12) Violated in 0 structures by 0.00 A. Peak 8125 from cnoeabs.peaks (1.75, 3.79, 60.23 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.98: * HB2 LEU 68 + HA LYS 65 OK 98 100 100 98 2.2-3.7 1.8/8127=71, 423/8129=50...(13) HB2 LEU 80 - HA LYS 65 far 0 98 0 - 8.1-9.2 HB3 LEU 82 - HA LYS 65 far 0 90 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 8126 from cnoeabs.peaks (3.79, 1.75, 40.88 ppm; 3.72 A): 3 out of 5 assignments used, quality = 1.00: * HA LYS 65 + HB2 LEU 68 OK 100 100 100 100 2.2-3.7 8125=98, 8127/1.8=70...(13) HA LEU 68 + HB2 LEU 68 OK 77 77 100 100 2.7-3.0 2.9=100 HA LYS 115 + HB2 LEU 114 OK 49 67 80 92 4.0-5.7 3.0/720=36, ~7883=34...(17) HA ALA 113 - HB2 LEU 114 far 0 67 0 - 5.5-6.6 HB2 SER 58 - HB2 LEU 68 far 0 81 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 8127 from cnoeabs.peaks (1.38, 3.79, 60.23 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LEU 68 + HA LYS 65 OK 99 100 100 99 2.3-4.9 1.8/8125=78, 8128=56...(11) Violated in 6 structures by 0.14 A. Peak 8128 from cnoeabs.peaks (3.79, 1.38, 40.88 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 65 + HB3 LEU 68 OK 99 100 100 99 2.3-4.9 8127=88, 8125/1.8=73...(11) HA LEU 68 + HB3 LEU 68 OK 77 77 100 100 2.6-2.9 2.9=100 HB2 SER 58 - HB3 LEU 68 far 0 81 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 8129 from cnoeabs.peaks (7.63, 3.79, 60.23 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.92: * H GLU 69 + HA LYS 65 OK 92 100 100 92 3.8-4.2 2108=44, 423/8125=42...(10) H LEU 64 - HA LYS 65 far 0 100 0 - 5.2-5.5 H GLN 100 - HA LYS 65 far 0 99 0 - 8.4-9.6 Violated in 20 structures by 0.46 A. Peak 8131 from cnoeabs.peaks (7.63, 4.03, 59.12 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 69 + HA GLU 66 OK 100 100 100 100 3.7-4.0 2107=100, 1454/8133=47...(7) H LEU 64 - HA GLU 66 far 0 100 0 - 6.9-7.4 Violated in 20 structures by 0.25 A. Peak 8132 from cnoeabs.peaks (2.20, 4.03, 59.12 ppm; 3.43 A): 2 out of 5 assignments used, quality = 0.99: * HB2 GLU 69 + HA GLU 66 OK 93 100 100 93 2.7-4.5 8133=80, 1454/2107=52...(4) HG3 GLU 66 + HA GLU 66 OK 81 81 100 100 3.6-3.9 3.7=77, 1.8/4902=73...(19) HB2 MET 67 - HA GLU 66 far 0 100 0 - 5.8-6.5 HB2 MET 42 - HA GLU 66 far 0 92 0 - 7.4-9.2 HB2 GLN 100 - HA GLU 66 far 0 94 0 - 9.5-10.7 Violated in 1 structures by 0.00 A. Peak 8133 from cnoeabs.peaks (4.03, 2.20, 29.14 ppm; 3.40 A): 2 out of 4 assignments used, quality = 0.87: * HA GLU 66 + HB2 GLU 69 OK 84 100 100 84 2.7-4.5 8132=52, 2107/1454=51...(4) HA3 GLY 101 + HB2 GLN 100 OK 20 52 75 53 3.8-5.7 ~639=18, ~7820=14...(5) HA3 GLY 101 - HB2 GLU 69 far 0 70 0 - 9.5-12.2 HA GLU 66 - HB2 GLN 100 far 0 84 0 - 9.5-10.7 Violated in 6 structures by 0.05 A. Peak 8134 from cnoeabs.peaks (2.09, 4.03, 59.12 ppm; 2.74 A): 2 out of 12 assignments used, quality = 1.00: HB3 GLU 66 + HA GLU 66 OK 99 99 100 100 2.7-3.0 8135=94, 1435/2.9=36...(25) HB3 GLU 92 + HA GLU 92 OK 50 51 100 99 2.5-3.0 3.0=76, 1.8/5854=38...(37) ! HB3 GLU 69 - HA GLU 66 far 5 100 5 - 4.2-5.1 HB2 LYS 94 - HA GLU 92 far 0 47 0 - 5.0-6.8 HB3 MET 121 - HA LYS 123 far 0 78 0 - 7.6-8.6 HG2 GLU 119 - HA LYS 123 far 0 75 0 - 8.2-9.3 HB2 GLU 103 - HA LYS 123 far 0 95 0 - 8.7-10.8 HB2 GLU 87 - HA GLU 92 far 0 84 0 - 8.9-11.0 HB3 PHE 79 - HA LYS 123 far 0 72 0 - 9.0-9.7 HG3 GLU 21 - HA GLU 13 far 0 70 0 - 9.1-12.5 HB2 GLU 111 - HA GLU 13 far 0 85 0 - 9.3-12.7 HG2 GLU 21 - HA GLU 13 far 0 63 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 8135 from cnoeabs.peaks (4.03, 2.09, 29.14 ppm; 2.80 A): 1 out of 4 assignments used, quality = 0.92: HA GLU 66 + HB3 GLU 66 OK 92 92 100 100 2.7-3.0 3.0=81, 4885/1.8=39...(30) ! HA GLU 66 - HB3 GLU 69 far 5 100 5 - 4.2-5.1 HA3 GLY 101 - HB3 GLU 69 far 0 70 0 - 8.7-12.0 HA LYS 40 - HB3 GLU 66 far 0 91 0 - 9.7-12.8 Violated in 4 structures by 0.04 A. Peak 8137 from cnoeabs.peaks (7.63, 3.95, 59.96 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA MET 67 OK 100 100 100 100 4.1-4.9 2105=93, 421/3.6=79...(8) H LEU 64 - HA MET 67 far 0 100 0 - 6.9-7.7 H LEU 74 - HA MET 67 far 0 65 0 - 8.6-9.4 Violated in 2 structures by 0.01 A. Peak 8138 from cnoeabs.peaks (7.72, 3.95, 59.96 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA MET 67 OK 100 100 100 100 3.3-3.9 2112=100, 1461/8141=67...(12) H LYS 73 - HA MET 67 far 0 98 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 8139 from cnoeabs.peaks (1.94, 3.95, 59.96 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.99: * HB2 LEU 70 + HA MET 67 OK 97 100 100 97 2.8-4.7 1.8/8141=45, 8140=45...(11) HB3 MET 42 + HA MET 67 OK 67 96 90 78 3.7-5.7 4.2/9424=24...(12) HB3 GLU 41 - HA MET 67 far 5 97 5 - 4.5-6.5 HB2 GLU 41 - HA MET 67 far 5 96 5 - 4.9-7.0 HB2 LYS 39 - HA MET 67 far 0 96 0 - 7.2-9.3 HB2 LYS 65 - HA MET 67 far 0 96 0 - 7.3-8.4 HB3 LYS 65 - HA MET 67 far 0 94 0 - 7.5-8.2 HB3 LYS 39 - HA MET 67 far 0 98 0 - 7.7-9.7 Violated in 17 structures by 0.18 A. Peak 8140 from cnoeabs.peaks (3.95, 1.94, 41.94 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 67 + HB2 LEU 70 OK 100 100 100 100 2.8-4.7 8141/1.8=80, 9769/3.1=72...(11) HA MET 121 - HB2 LEU 127 far 0 47 0 - 8.6-9.6 HB3 SER 35 - HB2 LEU 70 far 0 100 0 - 9.7-13.3 Violated in 5 structures by 0.03 A. Peak 8141 from cnoeabs.peaks (1.57, 3.95, 59.96 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HA MET 67 OK 100 100 100 100 2.4-4.6 8142=83, 1.8/8140=76...(13) HG LEU 68 - HA MET 67 far 7 65 10 - 5.7-6.3 HB VAL 78 - HA MET 67 far 0 84 0 - 8.3-9.7 HG2 LYS 44 - HA MET 67 far 0 87 0 - 9.4-12.4 Violated in 2 structures by 0.02 A. Peak 8142 from cnoeabs.peaks (3.95, 1.57, 41.94 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 67 + HB3 LEU 70 OK 100 100 100 100 2.4-4.6 8141=100, 8140/1.8=84...(13) HB3 SER 35 - HB3 LEU 70 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 8143 from cnoeabs.peaks (8.60, 3.95, 59.96 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + HA MET 67 OK 100 100 100 100 4.0-4.8 1913/2112=68...(11) Violated in 4 structures by 0.01 A. Peak 8144 from cnoeabs.peaks (7.72, 3.78, 57.94 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 68 OK 100 100 100 100 3.9-4.5 428/3.6=99, 1913/2117=94...(7) H LYS 73 + HA LEU 68 OK 94 98 100 96 6.1-7.2 448/2123=81...(4) Violated in 0 structures by 0.00 A. Peak 8145 from cnoeabs.peaks (8.60, 3.78, 57.94 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 71 + HA LEU 68 OK 100 100 100 100 3.2-3.4 2117=100, 1467/8146=70...(11) H LEU 80 - HA LEU 68 far 0 100 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 8146 from cnoeabs.peaks (1.90, 3.78, 57.94 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 71 + HA LEU 68 OK 100 100 100 100 2.2-4.4 8147=93, 3.2/9760=59...(13) QE MET 67 - HA LEU 68 far 4 73 5 - 4.9-6.4 HB3 LYS 73 - HA LEU 68 far 0 100 0 - 7.9-10.5 HB2 LYS 73 - HA LEU 68 far 0 100 0 - 8.5-10.3 HG LEU 45 - HA LEU 68 far 0 81 0 - 9.7-11.7 Violated in 9 structures by 0.07 A. Peak 8147 from cnoeabs.peaks (3.78, 1.90, 37.90 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 68 + HB ILE 71 OK 100 100 100 100 2.2-4.4 8146=100, 9760/3.2=61...(13) HA LYS 65 - HB ILE 71 far 0 77 0 - 7.7-9.9 Violated in 8 structures by 0.03 A. Peak 8148 from cnoeabs.peaks (8.02, 3.78, 57.94 ppm; 5.77 A): 2 out of 2 assignments used, quality = 1.00: * H SER 72 + HA LEU 68 OK 100 100 100 100 3.7-4.8 2123=100, 441/2117=86...(10) H LYS 65 + HA LEU 68 OK 69 77 90 100 6.9-7.4 ~8125=63, ~8127=62...(14) Violated in 0 structures by 0.00 A. Peak 8150 from cnoeabs.peaks (8.02, 4.05, 59.42 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * H SER 72 + HA GLU 69 OK 100 100 100 100 3.2-3.7 2122=100, 448/2127=50...(8) H LYS 65 - HA GLU 69 far 0 77 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 8151 from cnoeabs.peaks (4.12, 4.05, 59.42 ppm; 2.57 A): 2 out of 3 assignments used, quality = 0.93: HB3 SER 72 + HA GLU 69 OK 73 100 100 73 2.2-3.9 8154=42, 1.8/8152=29...(6) * HB2 SER 72 + HA GLU 69 OK 72 100 100 72 2.7-4.0 8154=41, 1.8/8152=29...(6) HA LEU 63 - HA GLU 37 far 0 60 0 - 9.7-10.4 Violated in 9 structures by 0.18 A. Peak 8152 from cnoeabs.peaks (4.05, 4.12, 62.78 ppm; 2.73 A): 2 out of 2 assignments used, quality = 0.96: HA GLU 69 + HB3 SER 72 OK 81 100 100 81 2.2-3.9 8153=50, 8151/1.8=34...(6) * HA GLU 69 + HB2 SER 72 OK 80 100 100 80 2.7-4.0 8153=50, 8153/1.8=35...(6) Violated in 7 structures by 0.12 A. Peak 8153 from cnoeabs.peaks (4.12, 4.05, 59.42 ppm; 2.57 A): 2 out of 3 assignments used, quality = 0.93: * HB3 SER 72 + HA GLU 69 OK 73 100 100 73 2.2-3.9 8154=42, 1.8/8152=29...(6) HB2 SER 72 + HA GLU 69 OK 72 100 100 72 2.7-4.0 8154=41, 1.8/8152=29...(6) HA LEU 63 - HA GLU 37 far 0 60 0 - 9.7-10.4 Violated in 9 structures by 0.18 A. Peak 8154 from cnoeabs.peaks (4.05, 4.12, 62.78 ppm; 2.73 A): 2 out of 2 assignments used, quality = 0.96: * HA GLU 69 + HB3 SER 72 OK 81 100 100 81 2.2-3.9 8153=50, 8151/1.8=34...(6) HA GLU 69 + HB2 SER 72 OK 80 100 100 80 2.7-4.0 8153=50, 8153/1.8=35...(6) Violated in 7 structures by 0.12 A. Peak 8157 from cnoeabs.peaks (7.72, 4.16, 57.77 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: H LEU 70 + HA LEU 70 OK 98 98 100 100 2.8-2.9 3.0=100 * H LYS 73 + HA LEU 70 OK 96 100 100 96 3.5-3.9 2126=79, 2125/3.6=30...(10) Violated in 0 structures by 0.00 A. Peak 8158 from cnoeabs.peaks (1.90, 4.16, 57.77 ppm; 3.51 A): 2 out of 8 assignments used, quality = 0.89: HB3 LYS 73 + HA LEU 70 OK 67 100 75 89 3.5-5.2 8161=37, 4.0/2126=35...(9) * HB2 LYS 73 + HA LEU 70 OK 67 100 75 89 3.6-5.3 4.0/2126=35, 8161=33...(9) HB ILE 71 - HA LEU 70 far 0 100 0 - 5.7-6.6 HB2 LYS 43 - HA LEU 70 far 0 87 0 - 7.9-10.3 HB3 LYS 43 - HA LEU 70 far 0 98 0 - 7.9-10.4 QE MET 67 - HA LEU 70 far 0 77 0 - 8.1-8.7 HB2 LEU 45 - HA LEU 70 far 0 94 0 - 8.7-10.2 HG LEU 45 - HA LEU 70 far 0 84 0 - 8.8-10.2 Violated in 18 structures by 0.11 A. Peak 8159 from cnoeabs.peaks (4.16, 1.90, 32.15 ppm; 3.70 A): 3 out of 9 assignments used, quality = 0.99: HA LEU 70 + HB3 LYS 73 OK 94 100 100 94 3.5-5.2 8158=50, 2126/4.0=40...(9) * HA LEU 70 + HB2 LYS 73 OK 85 100 90 94 3.6-5.3 8158=50, 2126/4.0=40...(9) HA LEU 45 + HB3 LYS 44 OK 41 56 80 91 3.7-5.5 3.0/1294=22, ~266=21...(15) HA ARG 95 - HB2 LYS 96 far 0 79 0 - 5.8-6.5 HA LEU 45 - HB2 LYS 43 far 0 41 0 - 7.5-7.9 HA LEU 45 - HB3 LYS 43 far 0 59 0 - 7.5-7.8 HA LEU 70 - HB2 LYS 43 far 0 57 0 - 7.9-10.3 HA LEU 70 - HB3 LYS 43 far 0 78 0 - 7.9-10.4 HA GLU 89 - HB2 LYS 96 far 0 70 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 8160 from cnoeabs.peaks (1.89, 4.16, 57.77 ppm; 3.51 A): 2 out of 8 assignments used, quality = 0.89: * HB3 LYS 73 + HA LEU 70 OK 67 100 75 89 3.5-5.2 8161=37, 4.0/2126=35...(9) HB2 LYS 73 + HA LEU 70 OK 67 100 75 89 3.6-5.3 4.0/2126=35, 8161=33...(9) HB ILE 71 - HA LEU 70 far 0 100 0 - 5.7-6.6 HB2 LYS 43 - HA LEU 70 far 0 84 0 - 7.9-10.3 HB3 LYS 43 - HA LEU 70 far 0 97 0 - 7.9-10.4 QE MET 67 - HA LEU 70 far 0 81 0 - 8.1-8.7 HB2 LEU 45 - HA LEU 70 far 0 92 0 - 8.7-10.2 HG LEU 45 - HA LEU 70 far 0 87 0 - 8.8-10.2 Violated in 18 structures by 0.11 A. Peak 8161 from cnoeabs.peaks (4.16, 1.89, 32.15 ppm; 3.70 A): 3 out of 9 assignments used, quality = 0.99: * HA LEU 70 + HB3 LYS 73 OK 94 100 100 94 3.5-5.2 8160=50, 2126/4.0=40...(9) HA LEU 70 + HB2 LYS 73 OK 85 100 90 94 3.6-5.3 8160=50, 2126/4.0=40...(9) HA LEU 45 + HB3 LYS 44 OK 38 52 80 91 3.7-5.5 ~266=21, ~265=21...(15) HA ARG 95 - HB2 LYS 96 far 0 76 0 - 5.8-6.5 HA LEU 45 - HB2 LYS 43 far 0 38 0 - 7.5-7.9 HA LEU 45 - HB3 LYS 43 far 0 57 0 - 7.5-7.8 HA LEU 70 - HB2 LYS 43 far 0 52 0 - 7.9-10.3 HA LEU 70 - HB3 LYS 43 far 0 76 0 - 7.9-10.4 HA GLU 89 - HB2 LYS 96 far 0 67 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 8162 from cnoeabs.peaks (7.72, 3.74, 64.24 ppm; 5.95 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 73 + HA ILE 71 OK 100 100 100 100 3.8-4.4 2124=100, 448/3.6=94...(15) H LEU 70 + HA ILE 71 OK 98 98 100 100 5.1-5.3 1913/3.0=97, 2114/3.6=79...(6) H GLU 47 - HA ILE 71 far 0 92 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 8164 from cnoeabs.peaks (8.05, 4.04, 58.52 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 90 + HA GLU 87 OK 99 100 100 99 3.0-3.9 1592/8165=61...(10) H ASP 109 - HA GLU 87 far 0 90 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 8165 from cnoeabs.peaks (1.78, 4.04, 58.52 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LEU 90 + HA GLU 87 OK 99 100 100 99 1.9-4.5 1.8/8167=59...(12) Violated in 2 structures by 0.06 A. Peak 8166 from cnoeabs.peaks (4.04, 1.78, 42.46 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 87 + HB2 LEU 90 OK 100 100 100 100 1.9-4.5 8165=100, 8168/1.8=81...(12) HA GLU 92 - HB2 LEU 90 far 0 100 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 8167 from cnoeabs.peaks (1.72, 4.04, 58.52 ppm; 3.86 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 90 + HA GLU 87 OK 99 100 100 99 2.4-4.6 1.8/8165=74...(8) HB2 LYS 106 - HA GLU 87 poor 15 98 45 34 4.5-7.3 5813/11573=14...(3) HB3 LYS 106 - HA GLU 87 poor 13 96 35 39 4.4-7.0 5806/11493=15...(3) HB3 LYS 94 - HA GLU 87 far 0 84 0 - 7.0-9.6 HB3 LEU 82 - HA GLU 87 far 0 81 0 - 7.1-11.7 Violated in 9 structures by 0.11 A. Peak 8168 from cnoeabs.peaks (4.04, 1.72, 42.46 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 87 + HB3 LEU 90 OK 100 100 100 100 2.4-4.6 8165/1.8=95, 8167=78...(9) HA GLU 92 - HB3 LEU 90 far 0 100 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 8171 from cnoeabs.peaks (7.94, 4.56, 55.64 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 91 + HA ASN 88 OK 99 100 100 99 3.9-4.6 1599/8172=73...(6) Violated in 1 structures by 0.01 A. Peak 8172 from cnoeabs.peaks (2.13, 4.56, 55.64 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.94: * HB2 GLU 91 + HA ASN 88 OK 94 100 100 94 2.9-4.2 1.8/8174=75...(9) HB3 GLU 92 - HA ASN 88 far 0 65 0 - 5.3-8.2 Violated in 5 structures by 0.08 A. Peak 8173 from cnoeabs.peaks (4.56, 2.13, 28.97 ppm; 5.69 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 88 + HB2 GLU 91 OK 100 100 100 100 2.9-4.2 8172=100, 8174/1.8=100...(9) HA PHE 79 - HB2 GLU 119 far 0 86 0 - 8.8-9.5 HA PHE 79 - HB3 GLU 119 far 0 74 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 8174 from cnoeabs.peaks (2.07, 4.56, 55.64 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.60: * HB3 GLU 91 + HA ASN 88 OK 60 100 65 93 4.4-5.8 1.8/8172=71...(9) HB2 GLU 92 - HA ASN 88 far 4 73 5 - 4.8-8.9 HB2 LYS 94 - HA ASN 88 far 0 100 0 - 7.5-10.4 Violated in 20 structures by 1.36 A. Peak 8175 from cnoeabs.peaks (4.56, 2.07, 28.97 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + HB3 GLU 91 OK 100 100 100 100 4.4-5.8 8174=100, 8172/1.8=100...(9) Violated in 2 structures by 0.02 A. Peak 8177 from cnoeabs.peaks (7.94, 4.15, 58.25 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HA GLU 89 OK 100 100 100 100 4.1-5.0 566/7752=82, 2137=81...(7) Violated in 8 structures by 0.05 A. Peak 8178 from cnoeabs.peaks (8.09, 4.15, 58.25 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.94: * H GLU 92 + HA GLU 89 OK 91 100 100 91 3.5-4.0 2144=43, 4.0/8180=38...(7) H PHE 93 + HA GLU 89 OK 34 77 60 74 3.6-5.7 581/8180=36, 582/8182=31...(5) Violated in 11 structures by 0.05 A. Peak 8179 from cnoeabs.peaks (2.05, 4.15, 58.25 ppm; 3.23 A): 3 out of 7 assignments used, quality = 0.99: HB2 GLU 89 + HA GLU 89 OK 84 84 100 100 2.4-3.0 3.0=100 HB3 GLU 89 + HA GLU 89 OK 84 84 100 100 2.4-2.6 3.0=100 * HB2 GLU 92 + HA GLU 89 OK 77 100 80 97 2.4-5.3 8180=77, 1.8/8182=53...(13) HB3 GLU 91 - HA GLU 89 far 0 73 0 - 5.8-7.3 HB2 LYS 94 - HA GLU 89 far 0 70 0 - 7.1-9.8 HB3 GLU 87 - HA GLU 89 far 0 84 0 - 7.2-8.5 HB3 GLN 85 - HA GLU 89 far 0 84 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8180 from cnoeabs.peaks (4.15, 2.05, 28.93 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.85: * HA GLU 89 + HB2 GLU 92 OK 85 100 90 94 2.4-5.3 8182/1.8=63, 8179=32...(12) HA ARG 95 - HB3 GLN 100 far 0 57 0 - 7.3-9.9 HA ARG 95 - HB2 GLU 92 far 0 100 0 - 8.0-8.8 HA LEU 70 - HB3 GLN 100 far 0 40 0 - 9.4-12.1 Violated in 10 structures by 0.47 A. Peak 8181 from cnoeabs.peaks (2.11, 4.15, 58.25 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 92 + HA GLU 89 OK 100 100 100 100 2.8-5.1 8182=96, 1.8/8180=81...(11) HB2 GLU 91 + HA GLU 89 OK 26 65 70 56 4.4-5.8 4.0/8177=35, 4.6/2144=31 HB2 GLU 87 - HA GLU 89 far 0 84 0 - 7.4-8.4 Violated in 11 structures by 0.16 A. Peak 8182 from cnoeabs.peaks (4.15, 2.11, 28.93 ppm; 3.85 A): 1 out of 6 assignments used, quality = 0.99: * HA GLU 89 + HB3 GLU 92 OK 99 100 100 99 2.8-5.1 8180/1.8=83, 8181=79...(11) HA GLN 122 - HB3 GLU 119 far 0 76 0 - 7.2-7.9 HA ARG 95 - HB3 GLU 92 far 0 100 0 - 7.8-8.9 HA GLN 122 - HB2 GLU 119 far 0 65 0 - 7.9-8.5 HA ALA 124 - HB3 GLU 119 far 0 92 0 - 9.2-10.2 HA ALA 124 - HB2 GLU 119 far 0 81 0 - 9.8-10.7 Violated in 12 structures by 0.31 A. Peak 8185 from cnoeabs.peaks (8.10, 4.21, 56.94 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 93 + HA LEU 90 OK 99 100 100 99 3.7-4.3 2149=97, 1612/8188=51...(4) H GLU 92 + HA LEU 90 OK 64 77 100 83 4.2-5.0 1934/3.6=55, 4.6/2149=43...(5) Violated in 0 structures by 0.00 A. Peak 8186 from cnoeabs.peaks (3.29, 4.21, 56.94 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 93 + HA LEU 90 OK 100 100 100 100 3.6-5.0 8187=100, 1.8/8188=94...(6) Violated in 0 structures by 0.00 A. Peak 8187 from cnoeabs.peaks (4.21, 3.29, 38.99 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + HB2 PHE 93 OK 100 100 100 100 3.6-5.0 8188/1.8=87, 8186=80...(6) Violated in 0 structures by 0.00 A. Peak 8188 from cnoeabs.peaks (3.04, 4.21, 56.94 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 93 + HA LEU 90 OK 100 100 100 100 3.5-4.1 8189=93, 1.8/8187=72...(7) HE2 LYS 94 - HA LEU 90 far 10 70 15 - 5.4-9.6 Violated in 0 structures by 0.00 A. Peak 8189 from cnoeabs.peaks (4.21, 3.04, 38.99 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + HB3 PHE 93 OK 100 100 100 100 3.5-4.1 8188=100, 8187/1.8=75...(7) Violated in 0 structures by 0.00 A. Peak 8190 from cnoeabs.peaks (8.61, 4.21, 56.94 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 94 + HA LEU 90 OK 100 100 100 100 3.9-4.7 2155=100, 1936/2149=94...(8) H GLN 85 + HA LEU 90 OK 38 90 55 78 6.8-8.1 10029/5781=78 H THR 108 - HA LEU 90 far 0 100 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 8192 from cnoeabs.peaks (8.61, 4.07, 59.13 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 94 + HA GLU 91 OK 100 100 100 100 3.1-3.6 2154=100, 1620/8195=50...(11) H LYS 94 - HA LYS 96 far 0 70 0 - 6.5-6.9 H ILE 71 - HA LYS 43 far 0 28 0 - 7.6-9.5 H LYS 49 - HA LYS 43 far 0 32 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 8193 from cnoeabs.peaks (2.07, 4.07, 59.13 ppm; 2.78 A): 2 out of 9 assignments used, quality = 1.00: HB3 GLU 91 + HA GLU 91 OK 99 100 100 99 2.4-2.7 5830=81, 3.0/5821=37...(16) * HB2 LYS 94 + HA GLU 91 OK 84 100 100 84 1.8-4.0 1.8/8195=34, 8194=26...(14) HB3 GLU 98 - HA LYS 96 far 0 41 0 - 5.2-6.3 HB2 GLU 92 - HA GLU 91 far 0 70 0 - 5.5-6.6 HB3 GLU 98 - HA GLU 91 far 0 70 0 - 6.4-8.2 HB2 GLU 47 - HA LYS 43 far 0 21 0 - 7.1-7.9 HB2 GLU 92 - HA LYS 96 far 0 41 0 - 7.1-9.0 HB2 LYS 94 - HA LYS 96 far 0 70 0 - 7.4-8.3 HB3 GLU 91 - HA LYS 96 far 0 70 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 8194 from cnoeabs.peaks (4.07, 2.07, 32.47 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.99: * HA GLU 91 + HB2 LYS 94 OK 99 100 100 99 1.8-4.0 8195/1.8=69, 2154/3.9=56...(17) HA LYS 96 - HB2 LYS 94 far 0 96 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 8195 from cnoeabs.peaks (1.74, 4.07, 59.13 ppm; 3.40 A): 2 out of 8 assignments used, quality = 0.96: * HB3 LYS 94 + HA GLU 91 OK 94 100 100 94 2.1-4.0 1.8/8194=46...(13) HB3 LEU 90 + HA GLU 91 OK 36 84 55 78 3.8-5.6 569/2.9=33, ~568=29...(8) HB2 LYS 106 - HA GLU 91 far 0 61 0 - 5.5-7.6 HB3 LYS 94 - HA LYS 96 far 0 70 0 - 7.0-8.4 HB3 LEU 82 - HA GLU 91 far 0 100 0 - 7.1-10.6 HB2 LEU 68 - HA LYS 96 far 0 55 0 - 9.5-10.7 HG3 ARG 105 - HA GLU 91 far 0 70 0 - 9.6-11.4 HB2 LEU 80 - HA LYS 96 far 0 39 0 - 9.9-11.3 Violated in 2 structures by 0.01 A. Peak 8196 from cnoeabs.peaks (4.07, 1.74, 32.47 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB3 LYS 94 OK 100 100 100 100 2.1-4.0 8194/1.8=88...(13) HA LYS 96 - HB3 LYS 94 far 0 96 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 8197 from cnoeabs.peaks (8.16, 4.07, 59.13 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.92: * H ARG 95 + HA GLU 91 OK 88 100 100 88 3.5-4.1 1937/2154=47...(8) H LEU 45 + HA LYS 43 OK 28 32 100 88 4.1-4.7 1889/3.6=58...(5) H ARG 95 - HA LYS 96 poor 17 70 30 82 5.3-5.5 1938/2.9=67...(8) H LEU 45 - HA GLU 37 far 0 59 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 8199 from cnoeabs.peaks (8.16, 4.03, 59.25 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HA GLU 92 OK 100 100 100 100 3.7-4.3 2159=100, 6031/8203=55...(9) Violated in 5 structures by 0.01 A. Peak 8200 from cnoeabs.peaks (1.90, 4.03, 59.25 ppm; 2.89 A): 2 out of 15 assignments used, quality = 0.86: * HB2 ARG 95 + HA GLU 92 OK 66 100 85 77 3.5-5.4 1.8/8203=37...(7) HB3 LYS 123 + HA LYS 123 OK 60 60 100 100 2.9-3.0 2.9=98, 2.9/7072=26...(36) HB2 LYS 16 - HA GLU 13 poor 17 38 45 - 3.4-5.2 HB3 LYS 16 - HA GLU 13 poor 17 40 50 83 3.4-5.4 7973=33, 1.8/7971=30...(7) HB ILE 15 - HA GLU 13 far 0 35 0 - 5.0-5.6 QE MET 67 - HA GLU 66 far 0 54 0 - 5.7-6.8 HB3 LYS 123 - HA GLU 119 far 0 34 0 - 6.1-6.8 HB2 LYS 96 - HA GLU 92 far 0 99 0 - 6.6-8.0 HB ILE 71 - HA GLU 66 far 0 87 0 - 7.5-10.3 HB2 GLU 128 - HA LYS 123 far 0 92 0 - 8.2-10.8 HB3 LYS 73 - HA GLU 66 far 0 86 0 - 8.5-12.2 HB3 LYS 20 - HA GLU 13 far 0 59 0 - 8.7-11.1 HB2 LYS 73 - HA GLU 66 far 0 87 0 - 9.4-11.7 HB2 LYS 20 - HA GLU 13 far 0 59 0 - 9.6-10.6 HB2 LYS 96 - HA GLU 66 far 0 85 0 - 9.8-11.4 Violated in 13 structures by 0.02 A. Peak 8201 from cnoeabs.peaks (4.03, 1.90, 29.82 ppm; 3.85 A): 2 out of 5 assignments used, quality = 0.95: * HA GLU 92 + HB2 ARG 95 OK 92 100 95 97 3.5-5.4 8203/1.8=71...(7) HA2 GLY 125 + HB2 GLU 128 OK 41 54 100 75 2.4-4.9 1.8/8326=20...(8) HB2 SER 126 - HB2 GLU 128 far 0 91 0 - 6.3-9.0 HB3 SER 126 - HB2 GLU 128 far 0 98 0 - 6.6-8.6 HA LYS 123 - HB2 GLU 128 far 0 94 0 - 8.2-10.8 Violated in 3 structures by 0.04 A. Peak 8202 from cnoeabs.peaks (1.97, 4.03, 59.25 ppm; 2.93 A): 0 out of 8 assignments used, quality = 0.00: HB3 LYS 96 - HA GLU 92 far 0 100 0 - 5.0-7.6 ! HB3 ARG 95 - HA GLU 92 far 0 100 0 - 5.0-5.8 HB3 GLU 21 - HA GLU 119 far 0 58 0 - 8.6-12.1 HB3 GLU 128 - HA LYS 123 far 0 63 0 - 9.1-10.7 HB3 GLU 103 - HA LYS 123 far 0 60 0 - 9.1-11.9 HB3 GLU 103 - HA GLU 119 far 0 34 0 - 9.3-12.3 HB3 LYS 96 - HA GLU 66 far 0 87 0 - 9.9-12.7 HB3 GLU 21 - HA GLU 13 far 0 63 0 - 9.9-12.9 Violated in 20 structures by 1.99 A. Peak 8203 from cnoeabs.peaks (4.03, 1.97, 29.82 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.41: * HA GLU 92 + HB3 ARG 95 OK 41 100 45 90 5.0-5.8 8201/1.8=55...(6) HA PHE 120 - HB VAL 22 far 0 52 0 - 9.9-12.8 Violated in 20 structures by 1.46 A. Peak 8205 from cnoeabs.peaks (8.16, 4.34, 60.45 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 95 + HA PHE 93 OK 99 100 100 99 4.5-5.0 1937/3.6=83...(10) H ARG 95 - HA SER 99 far 0 99 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 8206 from cnoeabs.peaks (7.79, 4.34, 60.45 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 96 + HA PHE 93 OK 100 100 100 100 3.3-3.7 6091/8210=75...(11) H LYS 96 - HA SER 99 far 0 99 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 8207 from cnoeabs.peaks (1.90, 4.34, 60.45 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 96 + HA PHE 93 OK 100 100 100 100 2.9-4.7 8208=100, 1.8/8210=87...(8) HB2 ARG 95 + HA PHE 93 OK 47 99 65 73 5.2-7.2 1629/8205=47...(4) HB2 ARG 95 - HA SER 99 far 0 98 0 - 6.7-8.0 HB2 LYS 96 - HA SER 99 far 0 99 0 - 7.5-8.8 Violated in 2 structures by 0.01 A. Peak 8208 from cnoeabs.peaks (4.34, 1.90, 32.07 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.95: * HA PHE 93 + HB2 LYS 96 OK 95 100 100 95 2.9-4.7 8210/1.8=59, 8207=34...(8) HA GLU 98 - HB2 LYS 96 far 0 99 0 - 6.9-7.5 HA SER 99 - HB2 LYS 96 far 0 100 0 - 7.5-8.8 Violated in 14 structures by 0.29 A. Peak 8209 from cnoeabs.peaks (1.97, 4.34, 60.45 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 96 + HA PHE 93 OK 100 100 100 100 2.1-4.4 8210=100, 1.8/8208=100...(10) HB3 ARG 95 + HA SER 99 OK 64 99 90 72 5.7-6.7 ~8223=45, ~2179=40, ~7229=13 HB3 ARG 95 - HA PHE 93 far 10 100 10 - 6.4-7.4 HB3 LYS 96 - HA SER 99 far 0 99 0 - 8.0-8.9 HB3 GLU 103 - HA SER 99 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 8210 from cnoeabs.peaks (4.34, 1.97, 32.07 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.99: * HA PHE 93 + HB3 LYS 96 OK 99 100 100 99 2.1-4.4 8208/1.8=85...(10) HA GLU 98 - HB3 LYS 96 far 0 99 0 - 7.2-8.0 HA SER 99 - HB3 LYS 96 far 0 100 0 - 8.0-8.9 Violated in 6 structures by 0.14 A. Peak 8211 from cnoeabs.peaks (7.83, 4.34, 60.45 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HA PHE 93 OK 100 100 100 100 3.5-4.9 7796/8208=85...(13) H ILE 97 - HA SER 99 far 0 99 0 - 6.9-7.3 Violated in 1 structures by 0.00 A. Peak 8213 from cnoeabs.peaks (7.83, 3.62, 60.08 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + HA LYS 94 OK 100 100 100 100 3.7-4.1 2169=97, 1647/8214=72...(9) Violated in 0 structures by 0.00 A. Peak 8214 from cnoeabs.peaks (1.81, 3.62, 60.08 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 97 + HA LYS 94 OK 100 100 100 100 3.1-4.2 2.1/10103=69, 8215=67...(9) HB3 ARG 105 - HA LYS 94 far 0 96 0 - 7.5-9.3 HG2 ARG 105 - HA LYS 94 far 0 100 0 - 9.1-11.1 HB2 LEU 64 - HA LYS 94 far 0 61 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 8215 from cnoeabs.peaks (3.62, 1.81, 37.21 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HB ILE 97 OK 100 100 100 100 3.1-4.2 8214=100, 10103/2.1=85...(9) Violated in 0 structures by 0.00 A. Peak 8216 from cnoeabs.peaks (8.67, 3.62, 60.08 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HA LYS 94 OK 100 100 100 100 3.2-4.2 2175=100, 623/8214=88...(10) H VAL 104 + HA LYS 94 OK 56 61 100 91 5.2-6.9 3.9/10236=78...(4) Violated in 0 structures by 0.00 A. Peak 8219 from cnoeabs.peaks (2.18, 4.15, 59.10 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.98: * HB2 GLU 98 + HA ARG 95 OK 98 100 100 98 2.2-3.9 8220=88, 1.8/8221=58...(6) Violated in 4 structures by 0.03 A. Peak 8220 from cnoeabs.peaks (4.15, 2.18, 29.43 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 95 + HB2 GLU 98 OK 100 100 100 100 2.2-3.9 8219=100, 8221/1.8=62...(6) HA LEU 63 - HB3 GLU 37 far 0 36 0 - 8.0-10.0 Violated in 2 structures by 0.00 A. Peak 8221 from cnoeabs.peaks (2.05, 4.15, 59.10 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.96: * HB3 GLU 98 + HA ARG 95 OK 95 100 100 95 1.8-3.6 1.8/8219=70, 8222=43...(8) HB2 LYS 94 + HA ARG 95 OK 28 70 65 63 3.9-5.5 ~596=30, 595/3.0=19...(4) HB3 GLU 91 - HA ARG 95 far 0 73 0 - 5.8-7.0 HB3 GLN 100 - HA ARG 95 far 0 99 0 - 7.3-9.9 HB2 GLU 92 - HA ARG 95 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 8222 from cnoeabs.peaks (4.15, 2.05, 29.43 ppm; 3.05 A): 3 out of 9 assignments used, quality = 0.97: * HA ARG 95 + HB3 GLU 98 OK 88 100 100 88 1.8-3.6 8219/1.8=51, 8221=48...(7) HA GLU 89 + HB2 GLU 89 OK 50 50 100 100 2.4-3.0 3.0=100 HA GLU 89 + HB3 GLU 89 OK 50 50 100 100 2.4-2.6 3.0=100 HA LEU 63 - HB2 GLU 66 poor 19 33 75 78 2.3-5.4 8113/1.8=31, 2092/3.7=22...(10) HA LEU 70 - HB2 GLU 66 far 0 43 0 - 6.4-9.3 HA GLU 89 - HB3 GLU 87 far 0 58 0 - 7.2-8.5 HA ARG 95 - HB3 GLN 100 far 0 72 0 - 7.3-9.9 HA LEU 70 - HB3 GLN 100 far 0 59 0 - 9.4-12.1 HA GLU 89 - HB3 GLN 85 far 0 62 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8223 from cnoeabs.peaks (8.10, 4.15, 59.10 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.97: * H SER 99 + HA ARG 95 OK 97 100 100 97 3.3-4.2 2179=61, 630/8219=58...(6) H PHE 93 - HA ARG 95 far 0 99 0 - 7.2-7.5 H GLU 92 - HA ARG 95 far 0 90 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 8225 from cnoeabs.peaks (8.10, 4.07, 58.93 ppm; 3.55 A): 3 out of 6 assignments used, quality = 0.97: * H SER 99 + HA LYS 96 OK 88 100 100 88 3.5-4.5 2178=67, 4.0/8226=26...(6) H GLU 92 + HA GLU 91 OK 57 57 100 100 3.5-3.6 3.6=98, 1934/2.9=56...(14) H PHE 93 + HA GLU 91 OK 41 68 100 60 4.5-5.0 1936/2154=39, 4.6/574=33 H PHE 93 - HA LYS 96 far 0 99 0 - 7.1-7.8 H GLU 92 - HA LYS 96 far 0 90 0 - 8.6-9.4 H SER 99 - HA GLU 91 far 0 70 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 8226 from cnoeabs.peaks (4.00, 4.07, 58.93 ppm; 2.40 A): 0 out of 3 assignments used, quality = 0.00: HB3 SER 99 - HA LYS 96 poor 14 100 25 58 2.8-5.9 8229=34, 1.8/8227=25 ! HB2 SER 99 - HA LYS 96 poor 14 100 25 57 2.6-5.7 8229=34, 1.8/8227=25 HA3 GLY 101 - HA LYS 96 far 0 84 0 - 9.8-10.9 Violated in 20 structures by 1.17 A. Peak 8227 from cnoeabs.peaks (4.07, 4.00, 62.68 ppm; 2.73 A): 2 out of 2 assignments used, quality = 0.67: HA LYS 96 + HB3 SER 99 OK 43 100 55 78 2.8-5.9 8228=50, 8226/1.8=37...(6) * HA LYS 96 + HB2 SER 99 OK 43 100 55 78 2.6-5.7 8228=50, 8226/1.8=37...(5) Violated in 17 structures by 0.85 A. Peak 8228 from cnoeabs.peaks (4.00, 4.07, 58.93 ppm; 2.40 A): 0 out of 3 assignments used, quality = 0.00: ! HB3 SER 99 - HA LYS 96 poor 14 100 25 58 2.8-5.9 8229=34, 1.8/8227=25 HB2 SER 99 - HA LYS 96 poor 14 100 25 57 2.6-5.7 8229=34, 1.8/8227=25 HA3 GLY 101 - HA LYS 96 far 0 84 0 - 9.8-10.9 Violated in 20 structures by 1.17 A. Peak 8229 from cnoeabs.peaks (4.07, 4.00, 62.68 ppm; 2.73 A): 2 out of 2 assignments used, quality = 0.67: * HA LYS 96 + HB3 SER 99 OK 43 100 55 78 2.8-5.9 8228=50, 8226/1.8=37...(6) HA LYS 96 + HB2 SER 99 OK 43 100 55 78 2.6-5.7 8228=50, 8226/1.8=37...(5) Violated in 17 structures by 0.85 A. Peak 8232 from cnoeabs.peaks (8.12, 4.09, 57.39 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 113 + HA ASP 110 OK 100 100 100 100 3.4-4.0 2187=100, 1741/8233=84...(11) H VAL 117 - HA ASP 110 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 8233 from cnoeabs.peaks (1.41, 4.09, 57.39 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.99: * QB ALA 113 + HA ASP 110 OK 99 100 100 99 2.7-3.2 8234=89, 1741/2187=41...(14) HB3 GLN 83 - HA ASP 110 far 9 92 10 - 4.5-6.0 HB3 LEU 114 - HA ASP 110 far 0 84 0 - 5.9-7.8 HG3 LYS 17 - HA ASP 110 far 0 61 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 8234 from cnoeabs.peaks (4.09, 1.41, 18.60 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 110 + QB ALA 113 OK 100 100 100 100 2.7-3.2 8233=100, 2187/1741=45...(14) Violated in 0 structures by 0.00 A. Peak 8235 from cnoeabs.peaks (7.74, 4.09, 57.39 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 114 + HA ASP 110 OK 99 100 100 99 4.1-5.0 7880/8233=93...(4) Violated in 0 structures by 0.00 A. Peak 8237 from cnoeabs.peaks (7.74, 3.99, 59.36 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + HA GLU 111 OK 100 100 100 100 3.1-3.9 1744/8238=64, 2191=52...(14) Violated in 0 structures by 0.00 A. Peak 8238 from cnoeabs.peaks (1.74, 3.99, 59.36 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.98: * HB2 LEU 114 + HA GLU 111 OK 98 100 100 98 2.4-5.0 1.8/8241=50...(13) HG2 LYS 17 - HA GLU 111 far 3 57 5 - 5.0-8.3 HG2 ARG 118 - HA GLU 111 far 0 98 0 - 7.4-10.1 Violated in 11 structures by 0.40 A. Peak 8239 from cnoeabs.peaks (3.99, 1.74, 40.94 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HB2 LEU 114 OK 100 100 100 100 2.4-5.0 8238=100, 8241/1.8=72...(13) HA GLU 112 + HB2 LEU 114 OK 44 94 60 79 5.1-7.4 8244/4.3=43...(10) HA LEU 14 + HB2 LEU 114 OK 23 100 50 47 3.9-7.4 4.0/11676=14...(8) HA LYS 17 - HB2 LEU 114 far 15 99 15 - 4.6-7.8 Violated in 4 structures by 0.05 A. Peak 8240 from cnoeabs.peaks (1.40, 3.99, 59.36 ppm; 3.53 A): 2 out of 3 assignments used, quality = 0.98: * HB3 LEU 114 + HA GLU 111 OK 94 100 95 99 3.0-5.2 1.8/8238=74, 8241=55...(11) QB ALA 113 + HA GLU 111 OK 73 84 100 87 4.4-5.0 3.7/8237=39...(14) HG LEU 14 - HA GLU 111 far 0 61 0 - 6.3-8.1 Violated in 17 structures by 0.42 A. Peak 8241 from cnoeabs.peaks (3.99, 1.40, 40.94 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HB3 LEU 114 OK 100 100 100 100 3.0-5.2 8238/1.8=94...(11) HA LEU 14 - HB3 LEU 114 poor 20 100 20 - 3.2-6.7 HA LYS 17 - HB3 LEU 114 poor 20 99 20 - 5.2-8.0 HA GLU 112 - HB3 LEU 114 far 14 94 15 - 5.0-7.3 Violated in 12 structures by 0.17 A. Peak 8244 from cnoeabs.peaks (7.62, 4.00, 58.75 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 115 + HA GLU 112 OK 98 100 100 98 3.2-3.8 1958/8249=41, 2196=36...(19) HE ARG 105 - HA GLU 112 far 0 65 0 - 7.7-12.8 Violated in 0 structures by 0.00 A. Peak 8245 from cnoeabs.peaks (1.93, 4.00, 58.75 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 115 + HA GLU 112 OK 95 100 100 95 2.7-4.7 8246=56, 1.8/8248=39...(13) HB3 LYS 115 + HA GLU 112 OK 92 98 100 94 3.0-4.6 8248=48, 1.8/8246=44...(12) HB3 LYS 17 - HA GLU 112 far 0 98 0 - 9.2-11.6 HB2 LEU 81 - HA GLU 112 far 0 94 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 8246 from cnoeabs.peaks (4.00, 1.93, 32.18 ppm; 2.94 A): 2 out of 9 assignments used, quality = 0.94: * HA GLU 112 + HB2 LYS 115 OK 82 100 95 87 2.7-4.7 8245=37, 8247/1.8=29...(13) HA GLU 112 + HB3 LYS 115 OK 65 96 80 86 3.0-4.6 8245=36, 8245/1.8=29...(11) HA GLU 111 - HB2 LYS 115 far 0 94 0 - 4.5-7.0 HA GLU 111 - HB3 LYS 115 far 0 87 0 - 4.7-7.5 HA LEU 14 - HB2 LYS 115 far 0 87 0 - 9.1-11.2 HA LEU 14 - HB3 LYS 115 far 0 79 0 - 9.1-11.9 HB3 SER 99 - HB3 LYS 65 far 0 94 0 - 9.3-13.7 HB2 SER 99 - HB2 LYS 65 far 0 92 0 - 9.4-14.8 HA LYS 17 - HB2 LYS 115 far 0 99 0 - 9.8-13.2 Violated in 14 structures by 0.10 A. Peak 8247 from cnoeabs.peaks (1.93, 4.00, 58.75 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 115 + HA GLU 112 OK 94 100 100 94 3.0-4.6 8248=50, 1.8/8246=44...(11) HB2 LYS 115 + HA GLU 112 OK 92 98 100 94 2.7-4.7 8246=54, 1.8/8248=39...(13) HB3 LYS 17 - HA GLU 112 far 0 87 0 - 9.2-11.6 HB2 LEU 81 - HA GLU 112 far 0 77 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 8248 from cnoeabs.peaks (4.00, 1.93, 32.18 ppm; 2.96 A): 2 out of 9 assignments used, quality = 0.95: HA GLU 112 + HB2 LYS 115 OK 79 96 95 87 2.7-4.7 8247=37, 8247/1.8=30...(12) * HA GLU 112 + HB3 LYS 115 OK 78 100 90 86 3.0-4.6 8247=38, 8245/1.8=30...(11) HA GLU 111 - HB2 LYS 115 far 4 87 5 - 4.5-7.0 HA GLU 111 - HB3 LYS 115 far 0 94 0 - 4.7-7.5 HA LEU 14 - HB2 LYS 115 far 0 79 0 - 9.1-11.2 HA LEU 14 - HB3 LYS 115 far 0 87 0 - 9.1-11.9 HB3 SER 99 - HB3 LYS 65 far 0 98 0 - 9.3-13.7 HB2 SER 99 - HB2 LYS 65 far 0 98 0 - 9.4-14.8 HA LYS 17 - HB2 LYS 115 far 0 93 0 - 9.8-13.2 Violated in 14 structures by 0.09 A. Peak 8249 from cnoeabs.peaks (8.00, 4.00, 58.75 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HA GLU 112 OK 100 100 100 100 3.7-4.6 1958/8244=78, 2202=65...(13) Violated in 0 structures by 0.00 A. Peak 8251 from cnoeabs.peaks (8.00, 3.80, 55.38 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HA ALA 113 OK 100 100 100 100 3.3-3.7 1761/8252=84...(16) Violated in 0 structures by 0.00 A. Peak 8252 from cnoeabs.peaks (1.63, 3.80, 55.38 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 116 + HA ALA 113 OK 100 100 100 100 2.6-4.0 11637/11606=64...(23) HB2 LEU 82 - HA ALA 113 far 0 94 0 - 7.5-8.6 HG LEU 90 - HA ALA 113 far 0 94 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 8253 from cnoeabs.peaks (3.80, 1.63, 36.32 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 113 + HB ILE 116 OK 100 100 100 100 2.6-4.0 8252=100, 11606/11637=64...(23) HA LYS 115 + HB ILE 116 OK 99 100 100 99 5.7-6.0 3.6/1761=81...(12) Violated in 0 structures by 0.00 A. Peak 8254 from cnoeabs.peaks (8.12, 3.80, 55.38 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: H ALA 113 + HA ALA 113 OK 100 100 100 100 2.7-2.9 3.0=100 * H VAL 117 + HA ALA 113 OK 96 100 100 96 4.5-5.0 737/8252=53, 735/8251=39...(12) Violated in 0 structures by 0.00 A. Peak 8256 from cnoeabs.peaks (8.12, 3.71, 57.67 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + HA LEU 114 OK 100 100 100 100 3.7-4.0 2206=80, 1768/8258=80...(10) H ALA 113 + HA LEU 114 OK 99 100 100 100 5.0-5.5 715/3.0=87...(13) Violated in 0 structures by 0.00 A. Peak 8257 from cnoeabs.peaks (2.05, 3.71, 57.67 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 117 + HA LEU 114 OK 100 100 100 100 4.0-4.4 8258=100, 2.1/10515=76...(11) HB2 GLU 13 - HA LEU 114 far 0 70 0 - 8.4-9.9 Violated in 19 structures by 0.21 A. Peak 8258 from cnoeabs.peaks (3.71, 2.05, 30.75 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + HB VAL 117 OK 100 100 100 100 4.0-4.4 8257=89, 10515/2.1=72...(11) Violated in 20 structures by 0.36 A. Peak 8259 from cnoeabs.peaks (8.03, 3.71, 57.67 ppm; 6.16 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 118 + HA LEU 114 OK 100 100 100 100 4.7-5.2 745/10515=98...(10) H VAL 22 - HA LEU 114 poor 15 90 80 20 6.8-8.2 11112/10515=19 H THR 9 - HA LEU 114 far 0 65 0 - 9.2-10.9 H ASP 109 - HA LEU 114 far 0 92 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8261 from cnoeabs.peaks (8.03, 3.80, 59.88 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 118 + HA LYS 115 OK 99 100 100 99 3.1-3.4 2211=61, 1774/8264=57...(13) H VAL 22 - HA LYS 115 far 0 90 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 8262 from cnoeabs.peaks (1.80, 3.80, 59.88 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 118 + HA LYS 115 OK 99 100 100 99 4.4-5.0 1.8/8264=86, 4.1/8261=43...(9) HG2 ARG 105 - HA LYS 115 far 0 98 0 - 8.8-9.9 HB3 ARG 105 - HA LYS 115 far 0 70 0 - 9.5-11.1 Violated in 20 structures by 0.97 A. Peak 8263 from cnoeabs.peaks (3.80, 1.80, 29.70 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 115 + HB2 ARG 118 OK 100 100 100 100 4.4-5.0 8262=100, 8264/1.8=100...(9) Violated in 0 structures by 0.00 A. Peak 8264 from cnoeabs.peaks (1.87, 3.80, 59.88 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.94: * HB3 ARG 118 + HA LYS 115 OK 94 100 100 94 2.8-3.4 1.8/8262=56...(8) HB2 ARG 105 - HA LYS 115 far 0 81 0 - 9.4-11.4 HB2 LYS 20 - HA LYS 115 far 0 61 0 - 9.4-13.5 HB3 LYS 20 - HA LYS 115 far 0 61 0 - 9.6-13.1 Violated in 9 structures by 0.05 A. Peak 8265 from cnoeabs.peaks (3.80, 1.87, 29.70 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 115 + HB3 ARG 118 OK 100 100 100 100 2.8-3.4 8264=100, 8262/1.8=100...(9) HA ALA 113 - HB3 ARG 118 far 0 100 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 8266 from cnoeabs.peaks (7.92, 3.80, 59.88 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HA LYS 115 OK 100 100 100 100 4.4-5.1 10546/8264=83...(8) Violated in 5 structures by 0.04 A. Peak 8268 from cnoeabs.peaks (7.92, 3.46, 64.12 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HA ILE 116 OK 100 100 100 100 3.7-4.0 2216=100, 2215/3.6=61...(10) Violated in 0 structures by 0.00 A. Peak 8269 from cnoeabs.peaks (2.12, 3.46, 64.12 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 119 + HA ILE 116 OK 96 100 100 96 3.0-4.0 8270=49, 4.0/2216=45...(12) HB3 GLU 119 + HA ILE 116 OK 95 100 100 96 4.5-5.2 8272=48, 4.0/2216=45...(11) HB VAL 107 - HA ILE 116 far 0 100 0 - 5.7-7.1 HG3 GLU 21 - HA ILE 116 far 0 84 0 - 8.2-10.8 HG3 GLN 83 - HA ILE 116 far 0 100 0 - 9.0-12.4 HB2 GLU 21 - HA ILE 116 far 0 100 0 - 9.2-11.4 HG2 GLU 21 - HA ILE 116 far 0 90 0 - 9.6-12.2 HB2 GLU 111 - HA ILE 116 far 0 65 0 - 9.9-11.3 Violated in 1 structures by 0.01 A. Peak 8270 from cnoeabs.peaks (3.46, 2.12, 28.96 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 116 + HB2 GLU 119 OK 96 100 100 96 3.0-4.0 8269=50, 2216/4.0=46...(12) HA ILE 116 + HB3 GLU 119 OK 95 99 100 96 4.5-5.2 8269=50, 2216/4.0=46...(12) Violated in 1 structures by 0.00 A. Peak 8271 from cnoeabs.peaks (2.11, 3.46, 64.12 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 119 + HA ILE 116 OK 96 100 100 96 4.5-5.2 8272=49, 4.0/2216=45...(12) HB2 GLU 119 + HA ILE 116 OK 96 100 100 96 3.0-4.0 8270=49, 4.0/2216=45...(12) HB VAL 107 - HA ILE 116 far 0 100 0 - 5.7-7.1 HG3 GLU 21 - HA ILE 116 far 0 92 0 - 8.2-10.8 HG3 GLN 83 - HA ILE 116 far 0 100 0 - 9.0-12.4 HB2 GLU 21 - HA ILE 116 far 0 100 0 - 9.2-11.4 HG2 GLU 21 - HA ILE 116 far 0 96 0 - 9.6-12.2 HB2 GLU 111 - HA ILE 116 far 0 77 0 - 9.9-11.3 Violated in 1 structures by 0.01 A. Peak 8272 from cnoeabs.peaks (3.46, 2.11, 28.96 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 116 + HB3 GLU 119 OK 96 100 100 96 4.5-5.2 8271=50, 2216/4.0=46...(12) HA ILE 116 + HB2 GLU 119 OK 96 99 100 96 3.0-4.0 8271=50, 2216/4.0=46...(13) Violated in 1 structures by 0.00 A. Peak 8273 from cnoeabs.peaks (8.83, 3.46, 64.12 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 120 + HA ILE 116 OK 100 100 100 100 4.6-5.4 2222=100, 1962/2216=98...(8) H LYS 106 - HA ILE 116 far 9 61 15 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 8274 from cnoeabs.peaks (7.92, 3.26, 67.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HA VAL 117 OK 100 100 100 100 3.7-4.4 2214=100, 747/3.6=99...(8) Violated in 0 structures by 0.00 A. Peak 8275 from cnoeabs.peaks (8.83, 3.26, 67.50 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 120 + HA VAL 117 OK 100 100 100 100 3.2-3.5 2221=100, 1787/8276=77...(13) H LYS 106 - HA VAL 117 far 0 61 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 8276 from cnoeabs.peaks (3.22, 3.26, 67.50 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.90: * HB2 PHE 120 + HA VAL 117 OK 90 100 95 95 3.0-5.2 2.4/4720=52, 1.8/8279=37...(12) HA ILE 15 - HA VAL 117 far 0 100 0 - 9.7-12.2 Violated in 14 structures by 0.21 A. Peak 8277 from cnoeabs.peaks (3.26, 3.22, 36.75 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + HB2 PHE 120 OK 100 100 100 100 3.0-5.2 8276=100, 4720/2.4=92...(12) Violated in 1 structures by 0.02 A. Peak 8278 from cnoeabs.peaks (2.34, 3.26, 67.50 ppm; 5.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 120 + HA VAL 117 OK 100 100 100 100 3.0-4.9 8279=100, 1.8/8276=100...(13) HG3 GLU 112 - HA VAL 117 far 0 99 0 - 8.4-12.2 HG2 GLU 112 - HA VAL 117 far 0 98 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 8279 from cnoeabs.peaks (3.26, 2.34, 36.75 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + HB3 PHE 120 OK 100 100 100 100 3.0-4.9 8276/1.8=99, 4720/2.4=87...(13) Violated in 17 structures by 0.19 A. Peak 8280 from cnoeabs.peaks (8.32, 3.26, 67.50 ppm; 6.18 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HA VAL 117 OK 100 100 100 100 4.0-5.0 2227=100, 763/8276=97...(9) Violated in 0 structures by 0.00 A. Peak 8282 from cnoeabs.peaks (8.32, 3.89, 60.17 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HA ARG 118 OK 100 100 100 100 3.3-3.8 2226=100, 1799/11516=66...(7) Violated in 0 structures by 0.00 A. Peak 8283 from cnoeabs.peaks (2.29, 3.89, 60.17 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + HA ARG 118 OK 100 100 100 100 3.4-4.8 1.8/8285=88, 8284=79...(5) Violated in 3 structures by 0.02 A. Peak 8284 from cnoeabs.peaks (3.89, 2.29, 33.64 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HB2 MET 121 OK 100 100 100 100 3.4-4.8 8283=100, 8285/1.8=95...(5) Violated in 0 structures by 0.00 A. Peak 8285 from cnoeabs.peaks (2.08, 3.89, 60.17 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.99: * HB3 MET 121 + HA ARG 118 OK 99 100 100 99 2.5-4.5 8286=78, 7023/11516=66...(5) HG2 GLU 119 - HA ARG 118 poor 20 100 20 - 5.2-6.0 HB3 PHE 79 - HA ARG 118 far 0 100 0 - 8.4-9.4 Violated in 2 structures by 0.04 A. Peak 8286 from cnoeabs.peaks (3.89, 2.08, 33.64 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HB3 MET 121 OK 100 100 100 100 2.5-4.5 8285=100, 11516/7023=75...(5) Violated in 1 structures by 0.00 A. Peak 8289 from cnoeabs.peaks (8.05, 4.03, 59.53 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.93: * H GLN 122 + HA GLU 119 OK 90 100 100 90 3.4-3.9 7059/10605=36, 2231=33...(8) H GLN 122 + HA LYS 123 OK 34 60 60 93 5.2-5.4 1965/3.0=66, 2233/3.6=35...(8) H LEU 90 - HA GLU 92 far 0 53 0 - 6.8-7.2 H HIS 131 - HA LYS 123 far 0 57 0 - 8.8-14.9 Violated in 0 structures by 0.00 A. Peak 8290 from cnoeabs.peaks (2.24, 4.03, 59.53 ppm; 3.19 A): 2 out of 6 assignments used, quality = 0.84: * HB2 GLN 122 + HA GLU 119 OK 67 100 100 67 3.2-4.0 3.0/10605=28...(7) HB2 GLN 122 + HA LYS 123 OK 51 60 100 85 3.8-4.0 779/3.0=21, 8293=15...(14) HB3 GLN 122 - HA LYS 123 poor 15 60 25 - 4.5-4.9 HB3 GLN 122 - HA GLU 119 poor 13 100 20 67 4.6-5.2 3.0/10605=28...(7) HG2 GLU 103 - HA LYS 123 far 0 39 0 - 8.5-12.2 HG2 GLU 103 - HA GLU 119 far 0 77 0 - 9.3-13.5 Violated in 16 structures by 0.11 A. Peak 8291 from cnoeabs.peaks (4.03, 2.24, 28.02 ppm; 3.85 A): 4 out of 10 assignments used, quality = 1.00: HA LYS 123 + HB2 GLN 122 OK 96 100 100 96 3.8-4.0 8290=39, 3.0/779=31...(13) HA LYS 123 + HB3 GLN 122 OK 95 100 100 95 4.5-4.9 8290/1.8=35, 3.0/779=31...(13) * HA GLU 119 + HB2 GLN 122 OK 89 100 100 89 3.2-4.0 8290=51, 10605/3.0=42...(7) HA GLU 119 + HB3 GLN 122 OK 88 100 100 88 4.6-5.2 8292/1.8=46...(7) HA PHE 120 - HB2 GLN 122 far 15 99 15 - 5.1-5.8 HB2 SER 126 - HB3 GLN 122 far 5 99 5 - 5.0-8.1 HB2 SER 126 - HB2 GLN 122 far 0 99 0 - 5.4-8.1 HB3 SER 126 - HB2 GLN 122 far 0 100 0 - 6.1-9.0 HB3 SER 126 - HB3 GLN 122 far 0 100 0 - 6.1-8.9 HA PHE 120 - HB3 GLN 122 far 0 99 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 8292 from cnoeabs.peaks (2.24, 4.03, 59.53 ppm; 3.19 A): 2 out of 6 assignments used, quality = 0.84: HB2 GLN 122 + HA GLU 119 OK 67 100 100 67 3.2-4.0 3.0/10605=28...(7) HB2 GLN 122 + HA LYS 123 OK 51 60 100 85 3.8-4.0 779/3.0=21, 8293=15...(14) HB3 GLN 122 - HA LYS 123 poor 15 60 25 - 4.5-4.9 ! HB3 GLN 122 - HA GLU 119 poor 13 100 20 67 4.6-5.2 3.0/10605=28...(7) HG2 GLU 103 - HA LYS 123 far 0 39 0 - 8.5-12.2 HG2 GLU 103 - HA GLU 119 far 0 77 0 - 9.3-13.5 Violated in 16 structures by 0.11 A. Peak 8293 from cnoeabs.peaks (4.03, 2.24, 28.02 ppm; 3.85 A): 4 out of 10 assignments used, quality = 1.00: HA LYS 123 + HB2 GLN 122 OK 96 100 100 96 3.8-4.0 8290=39, 3.0/779=31...(13) HA LYS 123 + HB3 GLN 122 OK 95 100 100 95 4.5-4.9 8290/1.8=35, 3.0/779=31...(13) HA GLU 119 + HB2 GLN 122 OK 89 100 100 89 3.2-4.0 8290=51, 10605/3.0=42...(7) * HA GLU 119 + HB3 GLN 122 OK 88 100 100 88 4.6-5.2 8292/1.8=46...(7) HA PHE 120 - HB2 GLN 122 far 15 99 15 - 5.1-5.8 HB2 SER 126 - HB3 GLN 122 far 5 99 5 - 5.0-8.1 HB2 SER 126 - HB2 GLN 122 far 0 99 0 - 5.4-8.1 HB3 SER 126 - HB2 GLN 122 far 0 100 0 - 6.1-9.0 HB3 SER 126 - HB3 GLN 122 far 0 100 0 - 6.1-8.9 HA PHE 120 - HB3 GLN 122 far 0 99 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 8296 from cnoeabs.peaks (8.40, 4.02, 56.87 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + HA PHE 120 OK 100 100 100 100 3.4-3.9 1810/8297=78...(11) Violated in 0 structures by 0.00 A. Peak 8297 from cnoeabs.peaks (1.93, 4.02, 56.87 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.97: * HB2 LYS 123 + HA PHE 120 OK 97 100 100 97 2.6-4.5 7083/11470=48...(11) HG2 MET 121 - HA PHE 120 far 7 70 10 - 5.5-7.3 HB2 LEU 81 - HA PHE 120 far 0 77 0 - 7.1-9.2 HB2 LEU 127 - HA PHE 120 far 0 100 0 - 8.7-10.9 Violated in 6 structures by 0.05 A. Peak 8298 from cnoeabs.peaks (4.02, 1.93, 32.31 ppm; 2.88 A): 6 out of 14 assignments used, quality = 1.00: HA LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.4-2.7 2.9=97, 7070/1.8=44...(33) HA LYS 40 + HB3 LYS 40 OK 73 74 100 100 2.3-2.5 3.0=88, 3650/1.8=67...(18) * HA PHE 120 + HB2 LYS 123 OK 69 100 85 81 2.6-4.5 8297=32, 8299/1.8=31...(9) HA GLU 66 + HB2 LYS 65 OK 62 99 75 83 4.1-5.5 7069=35, 2.9/7623=23...(12) HA GLU 66 + HB3 LYS 65 OK 39 99 50 79 4.0-5.3 7069/1.8=24, 2.9/7623=23...(12) HA LYS 40 + HB3 LYS 39 OK 27 36 95 81 3.8-4.4 3651=36, 3.0/1252=14...(17) HA LYS 40 - HB2 LYS 39 far 3 69 5 - 4.3-5.6 HA GLU 119 - HB2 LYS 123 far 0 99 0 - 4.5-7.2 HB2 SER 126 - HB2 LYS 123 far 0 100 0 - 4.5-7.9 HB3 SER 126 - HB2 LYS 123 far 0 96 0 - 5.0-7.7 HA GLU 119 - HB3 LYS 115 far 0 92 0 - 6.9-8.9 HA GLU 119 - HB2 LYS 115 far 0 85 0 - 7.4-9.3 HA GLU 66 - HB2 LYS 39 far 0 67 0 - 8.3-11.7 HA GLU 66 - HB3 LYS 39 far 0 35 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 8299 from cnoeabs.peaks (1.91, 4.02, 56.87 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.96: * HB3 LYS 123 + HA PHE 120 OK 96 100 100 96 2.8-3.6 7093/11470=50, 8300=44...(10) HG2 MET 121 - HA PHE 120 far 10 100 10 - 5.5-7.3 HB2 LEU 81 - HA PHE 120 far 0 99 0 - 7.1-9.2 HB2 LEU 127 - HA PHE 120 far 0 61 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 8300 from cnoeabs.peaks (4.02, 1.91, 32.31 ppm; 2.84 A): 2 out of 11 assignments used, quality = 1.00: HA LYS 123 + HB3 LYS 123 OK 100 100 100 100 2.9-3.0 2.9=93, 7069/1.8=44...(34) * HA PHE 120 + HB3 LYS 123 OK 78 100 100 78 2.8-3.6 8297/1.8=30, 8299=29...(10) HA LYS 40 - HB3 LYS 44 poor 12 61 20 - 2.7-5.7 HA LYS 40 - HB2 LYS 44 far 11 72 15 - 3.0-5.5 HB2 SER 126 - HB3 LYS 123 far 0 100 0 - 5.3-7.6 HB3 SER 126 - HB3 LYS 123 far 0 96 0 - 5.3-7.9 HA GLU 119 - HB3 LYS 123 far 0 99 0 - 6.1-6.8 HA GLU 92 - HB2 LYS 96 far 0 35 0 - 6.6-8.0 HA GLU 119 - HB2 LYS 115 far 0 53 0 - 7.4-9.3 HA LYS 40 - HB2 LYS 49 far 0 47 0 - 8.6-15.7 HA GLU 66 - HB2 LYS 96 far 0 42 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 8303 from cnoeabs.peaks (8.60, 3.93, 59.78 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 124 + HA MET 121 OK 100 100 100 100 3.8-4.3 2241=100, 2.9/8304=98...(5) H LEU 80 - HA MET 121 far 0 100 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 8304 from cnoeabs.peaks (1.50, 3.93, 59.78 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.99: * QB ALA 124 + HA MET 121 OK 99 100 100 99 2.7-3.6 8305=97, 2.9/2241=39...(4) Violated in 0 structures by 0.00 A. Peak 8305 from cnoeabs.peaks (3.93, 1.50, 18.93 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + QB ALA 124 OK 100 100 100 100 2.7-3.6 8304=100, 2241/2.9=40...(4) Violated in 0 structures by 0.00 A. Peak 8307 from cnoeabs.peaks (8.60, 4.13, 58.74 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.97: * H ALA 124 + HA GLN 122 OK 97 100 100 97 4.4-4.8 784/3.6=73, 1967/8308=56...(6) Violated in 15 structures by 0.08 A. Peak 8308 from cnoeabs.peaks (7.95, 4.13, 58.74 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.89: * H GLY 125 + HA GLN 122 OK 89 100 100 89 3.3-3.4 1967/8307=55, 2246=48...(4) Violated in 0 structures by 0.00 A. Peak 8311 from cnoeabs.peaks (7.86, 4.03, 59.24 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.72: * H SER 126 + HA LYS 123 OK 72 100 100 72 3.4-4.2 2250/3.6=45...(4) HE21 GLN 62 - HA GLU 66 far 4 72 5 - 6.5-10.5 H SER 126 - HA GLU 119 far 0 60 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H SER 126 + HA ALA 124 OK 100 100 100 100 3.4-3.9 800/2257=88, 797/3.6=81...(9) Violated in 0 structures by 0.00 A. Peak 8318 from cnoeabs.peaks (7.88, 4.14, 54.65 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + HA ALA 124 OK 100 100 100 100 3.0-3.8 2257=100, 804/2264=67...(8) Violated in 0 structures by 0.00 A. Peak 8319 from cnoeabs.peaks (1.93, 4.14, 54.65 ppm; 4.41 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 127 + HA ALA 124 OK 100 100 100 100 2.9-5.0 1.8/8322=77...(9) HB2 LYS 123 + HA ALA 124 OK 98 100 100 98 4.5-5.4 786/3.0=76, ~787=50...(7) HB3 LYS 123 + HA ALA 124 OK 47 61 100 77 3.8-4.0 ~786=51, 787/3.0=46...(5) HG2 MET 121 - HA ALA 124 far 0 73 0 - 7.7-9.0 HB3 GLU 52 - HA ALA 124 far 0 61 0 - 8.8-15.8 Violated in 0 structures by 0.00 A. Peak 8320 from cnoeabs.peaks (4.14, 1.93, 42.07 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.98: * HA ALA 124 + HB2 LEU 127 OK 96 100 100 96 2.9-5.0 8322/1.8=52...(9) HA LEU 70 + HB2 LEU 70 OK 47 47 100 100 2.5-3.0 3.0=100 HA LEU 63 - HB2 LEU 70 far 0 66 0 - 8.1-11.1 HA GLN 122 - HB2 LEU 127 far 0 94 0 - 9.1-9.7 HA LEU 45 - HB2 LEU 70 far 0 76 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 8321 from cnoeabs.peaks (1.61, 4.14, 54.65 ppm; 4.74 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + HA ALA 124 OK 100 100 100 100 4.2-6.0 8322=100, 3.1/10653=79...(8) HD3 LYS 77 + HA ALA 124 OK 52 92 95 60 4.6-6.3 11552/9005=25...(5) HD2 LYS 77 + HA ALA 124 OK 46 90 85 60 3.0-7.0 11552/9005=24...(6) Violated in 0 structures by 0.00 A. Peak 8322 from cnoeabs.peaks (4.14, 1.61, 42.07 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.94: * HA ALA 124 + HB3 LEU 127 OK 94 100 95 99 4.2-6.0 10653/3.1=71...(8) Violated in 19 structures by 0.66 A. Peak 8325 from cnoeabs.peaks (8.08, 4.05, 46.29 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA2 GLY 125 OK 100 100 100 100 3.0-3.9 1838/8329=73...(7) H GLU 128 + HA3 GLY 125 OK 77 78 100 99 4.4-5.1 2253/3.6=68, 2262/1.8=55...(7) Violated in 0 structures by 0.00 A. Peak 8326 from cnoeabs.peaks (1.90, 4.05, 46.29 ppm; 4.91 A): 2 out of 6 assignments used, quality = 0.99: * HB2 GLU 128 + HA2 GLY 125 OK 98 100 100 98 2.4-4.9 1.8/8329=72...(8) HB2 GLU 128 + HA3 GLY 125 OK 72 78 95 97 4.0-6.5 ~8329=56, 1837/2262=35...(8) HB3 LYS 123 - HA3 GLY 125 far 0 59 0 - 6.7-7.0 HB3 LYS 123 - HA2 GLY 125 far 0 84 0 - 7.1-7.5 HG2 MET 121 - HA3 GLY 125 far 0 50 0 - 7.3-8.7 HG2 MET 121 - HA2 GLY 125 far 0 73 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 8327 from cnoeabs.peaks (4.05, 1.90, 29.83 ppm; 4.02 A): 4 out of 4 assignments used, quality = 1.00: * HA2 GLY 125 + HB2 GLU 128 OK 92 100 100 92 2.4-4.9 8329/1.8=57, 8326=32...(8) HA LYS 96 + HB2 ARG 95 OK 71 80 90 98 3.9-5.5 2.9/7789=51, ~7790=37...(17) HA3 GLY 125 + HB2 GLU 128 OK 69 90 85 90 4.0-6.5 ~8329=40, 1.8/8326=30...(8) HA GLU 92 + HB2 ARG 95 OK 41 54 100 76 3.5-5.4 2159/1629=34...(6) Violated in 1 structures by 0.01 A. Peak 8328 from cnoeabs.peaks (1.95, 4.05, 46.29 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.99: * HB3 GLU 128 + HA2 GLY 125 OK 97 100 100 97 3.3-4.9 8329=76, 1.8/8326=48...(6) HB3 GLU 128 + HA3 GLY 125 OK 76 78 100 97 4.9-6.3 8329/1.8=73, ~8326=36...(7) HB3 GLU 52 - HA2 GLY 125 far 0 100 0 - 7.4-14.6 HB3 GLU 52 - HA3 GLY 125 far 0 78 0 - 9.1-16.1 Violated in 0 structures by 0.00 A. Peak 8329 from cnoeabs.peaks (4.05, 1.95, 29.83 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.86: * HA2 GLY 125 + HB3 GLU 128 OK 81 100 100 81 3.3-4.9 8326/1.8=31...(6) HA3 GLY 125 + HB3 GLU 128 OK 26 90 35 83 4.9-6.3 1.8/8328=28...(7) Violated in 10 structures by 0.14 A. Peak 8331 from cnoeabs.peaks (8.08, 4.45, 59.97 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HA SER 126 OK 100 100 100 100 4.0-4.6 804/3.6=90, 2260=79...(7) Violated in 0 structures by 0.00 A. Peak 9001 from cnoeabs.peaks (4.68, 1.81, 40.51 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.82: HA LYS 53 + HB ILE 3 OK 82 87 100 94 3.6-5.7 9004/2.1=48, 2.9/9464=46...(7) Violated in 7 structures by 0.18 A. 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 100 100 100 100 2.3-2.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 9003 from cnoeabs.peaks (8.81, 1.81, 40.51 ppm; 5.84 A): 1 out of 1 assignment used, quality = 0.94: H ILE 54 + HB ILE 3 OK 94 100 95 99 4.9-7.5 3.6/9001=81, 10802=70...(8) Violated in 5 structures by 0.13 A. Peak 9004 from cnoeabs.peaks (4.69, 1.08, 17.85 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 53 + QG2 ILE 3 OK 99 100 100 99 3.7-5.9 9001/2.1=77, 3.6/9029=66...(8) HA TYR 102 - QG2 ILE 3 far 0 77 0 - 7.9-9.9 Violated in 1 structures by 0.01 A. Peak 9005 from cnoeabs.peaks (4.14, 1.08, 17.85 ppm; 4.56 A): 1 out of 6 assignments used, quality = 0.98: HA ALA 124 + QG2 ILE 3 OK 98 98 100 100 3.1-4.3 2.1/9006=97, 10692=86...(13) HA MET 1 - QG2 ILE 3 far 3 57 5 - 5.6-8.4 HA GLN 122 - QG2 ILE 3 far 0 100 0 - 6.4-7.6 HA3 GLY 26 - QG2 ILE 3 far 0 87 0 - 8.2-10.7 HA VAL 22 - QG2 ILE 3 far 0 98 0 - 8.3-10.1 HB2 SER 72 - QG2 ILE 3 far 0 73 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 9006 from cnoeabs.peaks (1.51, 1.08, 17.85 ppm; 3.25 A): 1 out of 5 assignments used, quality = 0.97: QB ALA 124 + QG2 ILE 3 OK 97 98 100 99 1.7-2.0 10617=64, 9010/3.0=51...(15) HB2 LEU 6 - QG2 ILE 3 far 0 100 0 - 6.6-7.9 HG LEU 6 - QG2 ILE 3 far 0 92 0 - 8.7-10.1 HG2 ARG 30 - QG2 ILE 3 far 0 84 0 - 9.4-12.0 HB3 ARG 30 - QG2 ILE 3 far 0 99 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (0.84, 1.08, 17.85 ppm; 4.26 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 5 + QG2 ILE 3 OK 97 100 100 97 4.2-5.2 3.2/10739=43...(17) HG13 ILE 5 + QG2 ILE 3 OK 96 99 100 97 2.6-4.6 1.8/10739=54...(17) QG2 VAL 22 - QG2 ILE 3 far 0 84 0 - 7.0-9.2 QG2 ILE 57 - QG2 ILE 3 far 0 100 0 - 8.6-11.2 HG13 ILE 57 - QG2 ILE 3 far 0 65 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 9009 from cnoeabs.peaks (0.63, 1.08, 17.85 ppm; 4.08 A): 3 out of 6 assignments used, quality = 0.99: QD1 ILE 5 + QG2 ILE 3 OK 95 96 100 99 1.8-3.6 10620/9006=52...(20) QD1 LEU 4 + QG2 ILE 3 OK 70 92 100 76 3.7-5.5 4.4/4=48, 3.8/10662=31...(8) QG1 VAL 78 + QG2 ILE 3 OK 55 70 100 79 4.1-5.3 3.2/10661=28...(12) QG1 VAL 22 - QG2 ILE 3 far 0 98 0 - 6.4-8.0 QD1 ILE 54 - QG2 ILE 3 far 0 100 0 - 7.0-8.9 QD1 ILE 18 - QG2 ILE 3 far 0 61 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9010 from cnoeabs.peaks (1.51, 0.97, 13.48 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 124 + QD1 ILE 3 OK 99 100 100 99 1.7-2.7 10618=77, 9006/3.0=47...(15) HB2 LEU 6 - QD1 ILE 3 far 0 100 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 9012 from cnoeabs.peaks (2.41, 0.97, 13.48 ppm; 4.70 A): 0 out of 2 assignments used, quality = 0.00: HG2 MET 1 - QD1 ILE 3 far 7 73 10 - 4.7-9.4 HG2 GLN 122 - QD1 ILE 3 far 0 97 0 - 8.9-10.3 Violated in 19 structures by 2.63 A. Peak 9013 from cnoeabs.peaks (2.60, 0.97, 13.48 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.52: HE3 LYS 77 + QD1 ILE 3 OK 52 61 100 84 2.3-5.3 3.0/11522=28...(8) HG3 MET 1 - QD1 ILE 3 far 10 97 10 - 5.1-9.6 Violated in 8 structures by 0.14 A. Peak 9014 from cnoeabs.peaks (3.92, 0.97, 13.48 ppm; 5.77 A): 2 out of 2 assignments used, quality = 0.97: HA GLU 128 + QD1 ILE 3 OK 90 92 100 97 3.6-6.2 2.9/9028=68...(6) HA MET 121 + QD1 ILE 3 OK 72 84 100 86 5.3-6.6 8304/9010=73, 2241/10614=48 Violated in 0 structures by 0.00 A. Peak 9015 from cnoeabs.peaks (4.03, 0.97, 13.48 ppm; 5.67 A): 4 out of 6 assignments used, quality = 0.96: HB3 SER 126 + QD1 ILE 3 OK 67 99 85 79 5.7-7.3 10644=34, 1.8/10644=30...(6) HA LYS 123 + QD1 ILE 3 OK 65 100 80 81 5.9-7.4 3.6/10614=73...(3) HB2 SER 126 + QD1 ILE 3 OK 51 100 65 79 5.2-7.9 10644=35, 1.8/10644=29...(6) HA PHE 120 + QD1 ILE 3 OK 31 99 95 32 6.4-7.3 785/10614=23, 8299/10654=11 HA3 GLY 75 - QD1 ILE 3 far 0 81 0 - 7.4-9.0 HA GLU 119 - QD1 ILE 3 far 0 100 0 - 9.6-10.7 Violated in 1 structures by 0.00 A. Peak 9016 from cnoeabs.peaks (4.14, 0.97, 13.48 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 124 + QD1 ILE 3 OK 100 100 100 100 1.9-3.2 2.1/9010=85, 10615=65...(19) HA GLN 122 - QD1 ILE 3 far 0 94 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 9017 from cnoeabs.peaks (6.58, 1.08, 17.85 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.97: QE TYR 27 + QG2 ILE 3 OK 97 99 100 98 2.4-4.1 4595/3.0=57, 4594=47...(13) Violated in 0 structures by 0.00 A. Peak 9018 from cnoeabs.peaks (6.72, 1.08, 17.85 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 79 + QG2 ILE 3 OK 99 99 100 100 3.1-4.2 4662=99, 2.2/4658=81...(20) QE TYR 76 - QG2 ILE 3 far 0 100 0 - 6.9-8.2 QE TYR 102 - QG2 ILE 3 far 0 100 0 - 7.9-10.0 Violated in 4 structures by 0.02 A. Peak 9019 from cnoeabs.peaks (6.99, 1.08, 17.85 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 79 + QG2 ILE 3 OK 100 100 100 100 3.9-5.3 2.2/4658=99, 3.8/4662=84...(13) QD TYR 102 - QG2 ILE 3 far 0 98 0 - 7.1-8.8 Violated in 3 structures by 0.02 A. Peak 9020 from cnoeabs.peaks (6.80, 1.08, 17.85 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.95: QD TYR 27 + QG2 ILE 3 OK 91 92 100 99 4.4-5.8 2.2/9017=90, ~4595=51...(12) QD PHE 120 + QG2 ILE 3 OK 43 96 75 60 6.0-6.8 4707/9007=37...(4) Violated in 5 structures by 0.03 A. Peak 9021 from cnoeabs.peaks (7.09, 1.08, 17.85 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 79 + QG2 ILE 3 OK 99 99 100 100 2.1-3.5 4658=98, 2.2/4662=72...(14) Violated in 0 structures by 0.00 A. Peak 9023 from cnoeabs.peaks (7.11, 1.56, 27.38 ppm; 5.44 A): 1 out of 3 assignments used, quality = 0.69: QE PHE 79 + HG12 ILE 3 OK 69 70 100 100 5.2-5.9 9024/1.8=79, ~4662=68...(10) QD PHE 51 - HG12 ILE 3 far 0 92 0 - 7.0-9.5 QE PHE 79 - HG LEU 55 far 0 64 0 - 8.4-11.6 Violated in 13 structures by 0.14 A. Peak 9024 from cnoeabs.peaks (7.11, 1.22, 27.38 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.87: QE PHE 79 + HG13 ILE 3 OK 87 87 100 100 4.2-4.9 4659/2.1=82, 9023/1.8=80...(11) QD PHE 51 - HG13 ILE 3 far 0 77 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 9025 from cnoeabs.peaks (6.71, 0.97, 13.48 ppm; 5.57 A): 2 out of 3 assignments used, quality = 0.96: QD PHE 79 + QD1 ILE 3 OK 94 94 100 100 4.2-5.0 2.2/9026=100...(12) QE TYR 76 + QD1 ILE 3 OK 40 99 45 90 6.3-7.7 ~4613=75, 10192/2.1=45...(4) QE TYR 102 - QD1 ILE 3 far 0 99 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 9026 from cnoeabs.peaks (7.09, 0.97, 13.48 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 79 + QD1 ILE 3 OK 98 99 100 99 2.5-3.5 4659=78, 4658/3.0=55...(16) Violated in 0 structures by 0.00 A. Peak 9027 from cnoeabs.peaks (7.00, 0.97, 13.48 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.90: HZ PHE 79 + QD1 ILE 3 OK 90 90 100 100 3.4-4.8 2.2/9026=100...(15) QD TYR 102 - QD1 ILE 3 far 0 70 0 - 7.1-9.1 HE22 GLN 28 - QD1 ILE 3 far 0 87 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 9028 from cnoeabs.peaks (8.08, 0.97, 13.48 ppm; 5.99 A): 1 out of 2 assignments used, quality = 0.95: H GLU 128 + QD1 ILE 3 OK 95 96 100 100 3.2-4.9 2264/9016=80...(12) H HIS 131 - QD1 ILE 3 far 0 70 0 - 8.3-12.7 Violated in 0 structures by 0.00 A. Peak 9029 from cnoeabs.peaks (8.79, 1.08, 17.85 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.72: H ILE 54 + QG2 ILE 3 OK 72 73 100 98 4.2-6.6 3.6/9004=64...(12) H VAL 29 - QG2 ILE 3 far 0 87 0 - 10.0-11.9 Violated in 2 structures by 0.08 A. 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 70 100 100 3.5-3.9 4.0=100 Violated in 0 structures by 0.00 A. 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 70 100 100 3.7-4.5 4.9=100 Violated in 0 structures by 0.00 A. 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 98 100 100 3.9-4.7 5.0=100 Violated in 0 structures by 0.00 A. Peak 9035 from cnoeabs.peaks (6.84, 1.44, 45.31 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + HB2 LEU 4 OK 90 90 100 100 3.8-5.0 9039/3.1=67, 9037/3.1=66...(24) QD TYR 76 + HB3 LEU 4 OK 90 90 100 100 5.1-6.0 9039/3.1=67, 9037/3.1=66...(24) Violated in 0 structures by 0.00 A. Peak 9036 from cnoeabs.peaks (6.85, 1.45, 28.19 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 76 + HG LEU 4 OK 99 99 100 100 2.8-5.7 9037/2.1=97, 9039/2.1=97...(23) Violated in 3 structures by 0.02 A. Peak 9037 from cnoeabs.peaks (6.86, 0.64, 25.46 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 76 + QD1 LEU 4 OK 100 100 100 100 1.9-3.5 9039/2.1=58, 2.2/4631=53...(20) Violated in 0 structures by 0.00 A. Peak 9038 from cnoeabs.peaks (6.70, 0.64, 25.46 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.81: QE TYR 76 + QD1 LEU 4 OK 81 81 100 100 2.9-4.6 2.2/9037=90, ~9039=55...(15) QD PHE 79 - QD1 LEU 4 far 3 61 5 - 6.1-7.6 QE TYR 102 - QD1 LEU 4 far 0 77 0 - 6.4-9.4 Violated in 0 structures by 0.00 A. Peak 9039 from cnoeabs.peaks (6.85, 0.68, 25.98 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 76 + QD2 LEU 4 OK 100 100 100 100 2.1-4.8 9037/2.1=83, 2.2/9040=53...(18) QD TYR 76 - QD1 LEU 55 far 0 55 0 - 8.9-11.2 Violated in 4 structures by 0.06 A. Peak 9040 from cnoeabs.peaks (6.72, 0.68, 25.98 ppm; 5.01 A): 1 out of 6 assignments used, quality = 1.00: QE TYR 76 + QD2 LEU 4 OK 100 100 100 100 3.3-5.4 2.2/9039=89, ~9037=69...(16) QD PHE 79 - QD1 LEU 55 lone 5 55 75 13 5.7-8.0 9050/11139=6, 9053/11139=6 QD PHE 79 - QD2 LEU 4 far 0 100 0 - 6.6-7.6 QE TYR 102 - QD2 LEU 4 far 0 100 0 - 6.8-9.5 QE TYR 102 - QD1 LEU 55 far 0 55 0 - 9.8-12.4 QE TYR 76 - QD1 LEU 55 far 0 55 0 - 9.9-12.3 Violated in 3 structures by 0.05 A. Peak 9042 from cnoeabs.peaks (5.15, 1.44, 45.31 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.94: HA VAL 78 + HB2 LEU 4 OK 76 77 100 98 3.2-4.5 9041/3.8=55...(15) * HA VAL 78 + HB3 LEU 4 OK 75 77 100 98 3.9-5.5 9041/3.8=55...(15) Violated in 0 structures by 0.00 A. Peak 9043 from cnoeabs.peaks (4.84, 1.44, 45.31 ppm; 5.50 A): 5 out of 6 assignments used, quality = 1.00: HA ILE 5 + HB2 LEU 4 OK 99 99 100 99 4.3-5.3 ~9=58, ~7313=51...(17) HA ILE 5 + HB3 LEU 4 OK 99 99 100 99 4.2-4.8 ~9=58, ~7313=51...(17) HA ILE 54 + HB3 LEU 4 OK 94 94 100 100 5.7-6.9 ~9485=52, ~10681=50...(22) HA ILE 3 + HB2 LEU 4 OK 87 90 100 97 4.2-4.9 2/3.8=83, ~10662=40...(9) HA ILE 3 + HB3 LEU 4 OK 87 90 100 97 5.6-5.7 2/3.8=83, ~10662=40...(9) HA ILE 54 - HB2 LEU 4 far 5 94 5 - 6.9-7.9 Violated in 0 structures by 0.00 A. Peak 9045 from cnoeabs.peaks (2.85, 0.64, 25.46 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.97: HB3 TYR 76 + QD1 LEU 4 OK 97 97 100 100 3.1-5.4 2.5/9037=82...(15) Violated in 4 structures by 0.14 A. Peak 9046 from cnoeabs.peaks (1.07, 5.46, 53.34 ppm; 6.02 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 3 + HA LEU 4 OK 100 100 100 100 3.2-3.8 10662=100, 4/2.9=99...(13) HG2 LYS 53 + HA LEU 4 OK 61 87 95 74 4.9-9.1 5.0/9485=74 HG2 LYS 2 - HA LEU 4 lone 2 97 40 5 5.4-9.0 ~7=3 Violated in 0 structures by 0.00 A. Peak 9047 from cnoeabs.peaks (1.68, 5.46, 53.34 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: HB ILE 54 + HA LEU 4 OK 99 99 100 100 3.6-6.4 9486=90, 1350/9485=70...(13) HB ILE 56 + HA LEU 4 OK 67 87 95 81 5.6-7.2 4464/3.0=29...(13) HG12 ILE 71 - HA LEU 4 far 0 70 0 - 8.1-9.6 Violated in 2 structures by 0.06 A. Peak 9048 from cnoeabs.peaks (7.12, 0.84, 17.12 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.61: QE PHE 120 + QG2 ILE 5 OK 61 61 100 100 3.6-4.6 2.2/4707=97...(16) QE PHE 93 - QG2 ILE 5 far 0 65 0 - 9.3-10.6 QE PHE 93 - QG2 ILE 15 far 0 58 0 - 9.9-12.7 Violated in 1 structures by 0.00 A. Peak 9049 from cnoeabs.peaks (6.78, 0.84, 17.12 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.92: QD PHE 120 + QG2 ILE 5 OK 84 84 100 100 2.0-3.0 4707=74, 2.2/9048=50...(26) QD TYR 27 + QG2 ILE 5 OK 52 90 60 98 4.6-5.9 2.2/4596=32, ~9056=31...(23) QD TYR 27 - QG2 ILE 15 far 0 81 0 - 8.0-11.0 QD PHE 120 - QG2 ILE 15 far 0 75 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 9050 from cnoeabs.peaks (6.71, 0.84, 17.12 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.81: QD PHE 79 + QG2 ILE 5 OK 81 81 100 100 2.9-4.5 9055/3.0=78, 2.4/9905=63...(28) QE TYR 102 - QG2 ILE 5 far 0 92 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 9051 from cnoeabs.peaks (6.72, 1.81, 27.65 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 79 + HG12 ILE 5 OK 100 100 100 100 2.6-5.2 4645=99, 9053/1.8=95...(22) QE TYR 76 - HG12 ILE 5 far 0 100 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 9052 from cnoeabs.peaks (6.59, 1.81, 27.65 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 27 + HG12 ILE 5 OK 98 98 100 100 2.2-4.8 9229/2.1=97, 2.2/4582=54...(16) Violated in 0 structures by 0.00 A. Peak 9053 from cnoeabs.peaks (6.72, 0.85, 27.65 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 79 + HG13 ILE 5 OK 100 100 100 100 3.1-5.1 4645/1.8=94, 9055/2.1=69...(25) Violated in 3 structures by 0.01 A. Peak 9054 from cnoeabs.peaks (6.77, 0.62, 13.41 ppm; 3.90 A): 2 out of 6 assignments used, quality = 0.90: QD TYR 27 + QD1 ILE 5 OK 72 73 100 98 3.0-5.1 2.2/9056=66, ~9052=28...(16) QD PHE 120 + QD1 ILE 5 OK 65 65 100 99 3.3-4.6 2.4/11352=57, 4709=51...(17) QD TYR 27 - QD1 ILE 54 poor 10 50 20 - 4.9-7.6 QD PHE 120 - QD1 ILE 18 far 0 44 0 - 5.8-7.0 QD TYR 27 - QD1 ILE 18 far 0 50 0 - 7.4-9.3 HD22 ASN 59 - QD1 ILE 18 far 0 50 0 - 9.0-12.1 Violated in 4 structures by 0.02 A. Peak 9055 from cnoeabs.peaks (6.71, 0.62, 13.41 ppm; 4.41 A): 1 out of 5 assignments used, quality = 0.81: QD PHE 79 + QD1 ILE 5 OK 81 81 100 100 1.9-4.3 2.4/10740=77...(26) QE TYR 76 - QD1 ILE 54 far 3 69 5 - 5.8-8.7 QE TYR 102 - QD1 ILE 5 far 0 92 0 - 8.4-10.8 QE TYR 76 - QD1 ILE 5 far 0 94 0 - 8.7-11.2 QD PHE 79 - QD1 ILE 18 far 0 56 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 9056 from cnoeabs.peaks (6.58, 0.62, 13.41 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.88: QE TYR 27 + QD1 ILE 5 OK 88 90 100 98 2.0-4.4 4598=48, 2.2/9054=38...(17) QE TYR 27 - QD1 ILE 54 far 3 64 5 - 5.0-8.5 QE TYR 27 - QD1 ILE 18 far 0 64 0 - 7.5-10.0 Violated in 1 structures by 0.02 A. Peak 9058 from cnoeabs.peaks (5.64, 1.65, 39.53 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 55 + HB ILE 5 OK 100 100 100 100 3.1-4.2 9501=100, 4.0/10939=66...(7) Violated in 0 structures by 0.00 A. Peak 9059 from cnoeabs.peaks (5.65, 0.84, 17.12 ppm; 5.44 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 55 + QG2 ILE 5 OK 99 99 100 100 4.2-5.5 9501/2.1=93, 9525/4.0=69...(8) HA LEU 55 - QG2 ILE 15 far 0 92 0 - 8.0-9.8 Violated in 1 structures by 0.00 A. Peak 9062 from cnoeabs.peaks (5.64, 0.62, 13.41 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 55 + QD1 ILE 5 OK 98 99 100 100 3.9-5.9 9501/3.2=93, 9525/5.0=72...(4) HA LEU 55 + QD1 ILE 54 OK 75 75 100 99 5.3-6.3 9491/3.1=69, ~7565=69...(8) HA LEU 55 - QD1 ILE 18 far 4 75 5 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 9063 from cnoeabs.peaks (3.97, 0.62, 13.41 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.60: HA LEU 14 + QD1 ILE 18 OK 60 62 100 98 3.4-4.1 4.0/11652=61...(14) HA LYS 17 - QD1 ILE 18 far 0 41 0 - 5.9-6.7 HA GLU 111 - QD1 ILE 18 far 0 53 0 - 6.3-7.4 HA GLU 21 - QD1 ILE 18 far 0 66 0 - 7.6-8.2 HA GLU 21 - QD1 ILE 5 far 0 92 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 9064 from cnoeabs.peaks (4.13, 0.62, 13.41 ppm; 5.63 A): 2 out of 9 assignments used, quality = 0.87: HA ALA 124 + QD1 ILE 5 OK 83 84 100 99 4.9-6.9 2.1/10620=97, ~10619=35...(5) HA VAL 22 + QD1 ILE 5 OK 21 100 30 70 5.3-8.5 11116/9054=28...(9) HA GLN 122 - QD1 ILE 5 lone 14 99 90 16 5.9-7.3 9898/4661=11, 10586/10602=4 HA VAL 22 - QD1 ILE 18 far 4 78 5 - 7.1-8.5 HA LEU 45 - QD1 ILE 54 lone 3 47 100 5 4.9-7.0 4.0/4407=4 HA3 GLY 26 - QD1 ILE 54 far 0 75 0 - 7.3-10.2 HA MET 1 - QD1 ILE 5 far 0 84 0 - 7.4-12.6 HA3 GLY 26 - QD1 ILE 5 far 0 99 0 - 7.6-10.7 HA VAL 22 - QD1 ILE 54 far 0 78 0 - 10.0-12.5 Violated in 1 structures by 0.01 A. Peak 9067 from cnoeabs.peaks (5.54, 0.71, 25.51 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 80 + QD1 LEU 6 OK 94 99 100 95 3.1-4.6 10671/2482=52...(9) Violated in 2 structures by 0.00 A. Peak 9068 from cnoeabs.peaks (7.02, 0.71, 25.51 ppm; 5.64 A): 0 out of 2 assignments used, quality = 0.00: HZ PHE 120 - QD1 LEU 6 far 0 100 0 - 7.6-9.2 HD22 ASN 33 - QD1 LEU 6 far 0 100 0 - 9.6-12.2 Violated in 20 structures by 2.69 A. Peak 9069 from cnoeabs.peaks (7.12, 0.71, 25.51 ppm; 4.83 A): 0 out of 2 assignments used, quality = 0.00: QE PHE 93 - QD1 LEU 6 poor 18 84 65 33 4.9-6.7 9748/11565=16...(3) QE PHE 120 - QD1 LEU 6 far 4 81 5 - 6.3-7.5 Violated in 19 structures by 0.86 A. Peak 9072 from cnoeabs.peaks (9.18, 5.35, 53.00 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 56 + HA LEU 6 OK 99 100 100 99 3.5-4.3 9535=89, 9530/23=60...(4) Violated in 0 structures by 0.00 A. Peak 9073 from cnoeabs.peaks (0.86, 1.89, 40.15 ppm; 3.98 A): 3 out of 9 assignments used, quality = 1.00: QG2 THR 9 + HB ILE 7 OK 98 100 100 99 3.7-4.6 9117/2.1=75, 9115=73...(7) QG2 VAL 117 + HB ILE 7 OK 82 99 85 97 4.4-5.8 11584/3.2=71...(7) HG13 ILE 57 + HB ILE 7 OK 47 100 65 72 3.1-6.1 4.2/9080=33, 1.8/2497=27...(11) QG2 ILE 15 - HB ILE 7 poor 16 81 20 - 4.4-6.8 QD1 LEU 14 - HB ILE 7 far 0 100 0 - 6.1-7.5 QG2 VAL 22 - HB ILE 7 far 0 97 0 - 6.2-8.3 HG13 ILE 5 - HB ILE 7 far 0 77 0 - 7.4-8.6 QG1 VAL 32 - HB ILE 7 far 0 98 0 - 9.4-10.4 QG2 VAL 107 - HB ILE 7 far 0 97 0 - 9.5-10.9 Violated in 5 structures by 0.02 A. Peak 9074 from cnoeabs.peaks (1.35, 0.77, 14.16 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.98: HB3 LEU 81 + QD1 ILE 7 OK 97 98 100 99 1.8-3.8 11624/2.1=39...(16) HG LEU 81 + QD1 ILE 7 OK 35 99 35 99 3.8-5.7 11639/11584=58...(15) Violated in 3 structures by 0.00 A. Peak 9075 from cnoeabs.peaks (1.79, 0.77, 14.16 ppm; 4.51 A): 1 out of 9 assignments used, quality = 0.57: HG12 ILE 5 + QD1 ILE 7 OK 57 70 100 82 3.7-5.7 ~10941=39, 3.2/2698=36...(8) HG2 ARG 105 - QD1 ILE 7 far 0 77 0 - 6.3-10.3 HB2 LEU 64 - QD1 ILE 7 far 0 100 0 - 6.9-9.2 HB2 LYS 19 - QD1 ILE 7 far 0 100 0 - 7.8-10.1 HB2 ARG 118 - QD1 ILE 7 far 0 94 0 - 8.0-10.1 HB VAL 32 - QD1 ILE 7 far 0 81 0 - 8.6-10.6 HB3 GLN 28 - QD1 ILE 7 far 0 97 0 - 8.6-11.3 HB ILE 3 - QD1 ILE 7 far 0 73 0 - 8.8-10.6 HB ILE 97 - QD1 ILE 7 far 0 65 0 - 8.8-11.8 Violated in 13 structures by 0.38 A. Peak 9076 from cnoeabs.peaks (2.06, 0.77, 14.16 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.96: HB VAL 117 + QD1 ILE 7 OK 94 94 100 100 3.7-5.8 2.1/11584=100...(9) HB3 PHE 79 + QD1 ILE 7 OK 40 61 95 69 4.0-6.6 4729/9084=39...(6) HB3 MET 67 - QD1 ILE 7 far 0 97 0 - 8.4-10.5 HB2 GLN 28 - QD1 ILE 7 far 0 98 0 - 8.5-10.9 Violated in 1 structures by 0.01 A. Peak 9077 from cnoeabs.peaks (3.27, 0.77, 14.16 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.87: HA VAL 117 + QD1 ILE 7 OK 87 87 100 100 3.2-5.5 3.2/11584=100, 11195=73...(12) Violated in 0 structures by 0.00 A. Peak 9079 from cnoeabs.peaks (4.93, 5.18, 58.22 ppm; 5.60 A): 2 out of 3 assignments used, quality = 0.76: HA ILE 57 + HA ILE 7 OK 59 70 100 85 5.0-6.3 9078/3.0=60...(6) HA LEU 82 + HA ILE 7 OK 43 65 100 65 4.2-5.6 9094/30=58...(4) HA ARG 105 - HA ILE 7 far 0 81 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 9080 from cnoeabs.peaks (4.91, 1.89, 40.15 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.96: HA ILE 57 + HB ILE 7 OK 96 99 100 96 3.0-4.0 346/9594=64...(10) HA LEU 82 - HB ILE 7 far 10 100 10 - 6.2-7.6 Violated in 0 structures by 0.00 A. Peak 9081 from cnoeabs.peaks (4.89, 0.74, 16.61 ppm; 5.46 A): 0 out of 0 assignments used, quality = 0.00: Peak 9082 from cnoeabs.peaks (4.32, 0.74, 16.61 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.99: HB THR 9 + QG2 ILE 7 OK 99 99 100 100 2.8-4.3 9108=98, 3.0/11585=74...(9) Violated in 0 structures by 0.00 A. Peak 9083 from cnoeabs.peaks (6.79, 0.77, 14.16 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 120 + QD1 ILE 7 OK 100 100 100 100 2.6-4.9 2.2/9084=84...(11) QD TYR 27 + QD1 ILE 7 OK 33 99 80 42 5.1-7.6 4587/2524=18...(4) Violated in 0 structures by 0.00 A. Peak 9084 from cnoeabs.peaks (7.12, 0.77, 14.16 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.75: QE PHE 120 + QD1 ILE 7 OK 75 81 100 94 3.1-5.9 2.2/9083=50...(12) QE PHE 93 - QD1 ILE 7 far 0 84 0 - 8.0-10.2 Violated in 6 structures by 0.07 A. Peak 9085 from cnoeabs.peaks (9.06, 5.18, 58.22 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: H LEU 81 + HA ILE 7 OK 100 100 100 100 1.9-2.8 9951=100, 11384/30=73...(14) Violated in 0 structures by 0.00 A. Peak 9087 from cnoeabs.peaks (9.07, 0.77, 14.16 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.95: H LEU 81 + QD1 ILE 7 OK 95 99 100 96 2.7-5.3 9951/2522=61...(10) H LEU 4 - QD1 ILE 7 far 0 84 0 - 7.6-8.9 Violated in 10 structures by 0.12 A. Peak 9088 from cnoeabs.peaks (8.80, 0.74, 16.61 ppm; 5.78 A): 2 out of 4 assignments used, quality = 0.97: H SER 58 + QG2 ILE 7 OK 92 96 100 97 4.2-5.1 9594/2.1=92...(3) H ILE 18 + QG2 ILE 7 OK 66 70 100 95 5.4-6.3 5.0/11582=79...(6) H ASN 59 - QG2 ILE 7 far 5 96 5 - 7.0-8.2 H LYS 106 - QG2 ILE 7 far 0 99 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 9089 from cnoeabs.peaks (8.81, 1.89, 40.15 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.99: H SER 58 + HB ILE 7 OK 99 100 100 99 4.1-5.2 346/9080=87, 9594=82...(5) H ASN 59 - HB ILE 7 far 0 70 0 - 8.3-9.4 H PHE 120 - HB ILE 7 far 0 77 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9091 from cnoeabs.peaks (8.81, 5.90, 51.10 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: H SER 58 + HA ASN 8 OK 99 100 100 100 3.0-4.2 9589=98, 9585/37=61...(6) H ASN 59 + HA ASN 8 OK 38 84 60 75 5.3-6.4 4.6/9589=49, 4.5/9593=31...(5) Violated in 0 structures by 0.00 A. Peak 9092 from cnoeabs.peaks (8.44, 2.27, 42.58 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: H GLN 83 + HB3 ASN 8 OK 100 100 100 100 5.7-7.3 10003/1.8=100...(6) H ASN 10 + HB3 ASN 8 OK 82 100 95 86 7.4-7.7 4.6/39=82, 9090/4.0=23 H GLN 62 - HB3 ASN 8 poor 8 99 40 20 7.0-8.5 1858/7335=13, 9664/9103=7 H VAL 32 - HB3 ASN 8 far 0 100 0 - 9.0-10.5 Violated in 8 structures by 0.10 A. Peak 9095 from cnoeabs.peaks (4.90, 2.27, 42.58 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.93: HA LEU 82 + HB3 ASN 8 OK 93 94 100 99 4.2-5.6 10751/1.8=91...(7) HA ILE 57 - HB3 ASN 8 lone 1 92 75 1 5.8-7.2 Violated in 8 structures by 0.07 A. Peak 9099 from cnoeabs.peaks (0.82, 5.90, 51.10 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 64 + HA ASN 8 OK 98 99 100 99 3.0-5.7 11688=76, 10448/3.0=50...(11) QD2 LEU 82 + HA ASN 8 OK 85 97 90 97 4.2-7.2 9971/3.0=67, 9970/3.0=62...(9) QG1 VAL 29 - HA ASN 8 far 0 65 0 - 8.8-11.1 Violated in 10 structures by 0.09 A. Peak 9100 from cnoeabs.peaks (0.74, 5.90, 51.10 ppm; 4.99 A): 1 out of 7 assignments used, quality = 0.94: QG2 ILE 7 + HA ASN 8 OK 94 96 100 99 3.5-4.0 32/3.0=88, ~30=47...(7) QD2 LEU 6 - HA ASN 8 poor 12 100 35 34 5.5-6.9 ~11561=18, ~33=13, 11265/9589=5 QD1 LEU 63 - HA ASN 8 far 0 99 0 - 6.7-7.9 QG2 ILE 18 - HA ASN 8 far 0 65 0 - 6.8-8.3 QD2 LEU 55 - HA ASN 8 far 0 100 0 - 7.4-9.1 QG1 VAL 117 - HA ASN 8 far 0 77 0 - 7.5-8.9 HG13 ILE 18 - HA ASN 8 far 0 97 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 9101 from cnoeabs.peaks (0.79, 2.89, 42.58 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 64 + HB2 ASN 8 OK 85 96 95 94 3.6-5.2 11393/1.8=50...(8) QD1 LEU 82 + HB2 ASN 8 OK 78 84 100 93 3.7-4.8 2.1/9971=67, ~9970=42...(7) QD2 LEU 80 - HB2 ASN 8 lone 11 77 80 17 3.0-5.8 5585/9971=12...(3) QD1 LEU 80 - HB2 ASN 8 lone 11 73 90 16 2.9-5.3 5585/9971=10...(3) QD1 LEU 81 - HB2 ASN 8 far 0 100 0 - 6.5-7.4 Violated in 18 structures by 0.31 A. Peak 9103 from cnoeabs.peaks (1.62, 2.27, 42.58 ppm; 6.09 A): 3 out of 4 assignments used, quality = 1.00: HB2 LEU 82 + HB3 ASN 8 OK 94 99 95 100 3.7-7.6 3.0/9095=85, ~9971=83...(8) HB3 LEU 64 + HB3 ASN 8 OK 84 84 100 100 3.2-4.4 3.1/9104=99...(8) HG LEU 82 + HB3 ASN 8 OK 65 65 100 100 4.1-6.2 ~9971=94, 4.3/9095=72...(7) HG LEU 63 - HB3 ASN 8 far 0 99 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 9104 from cnoeabs.peaks (0.80, 2.27, 42.58 ppm; 3.52 A): 1 out of 2 assignments used, quality = 0.86: QD1 LEU 64 + HB3 ASN 8 OK 86 90 100 97 1.7-3.7 10448/1.8=60...(11) QD1 LEU 81 - HB3 ASN 8 far 0 81 0 - 7.4-8.4 Violated in 9 structures by 0.04 A. Peak 9108 from cnoeabs.peaks (0.74, 4.32, 67.77 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.94: QG2 ILE 7 + HB THR 9 OK 94 100 100 94 2.8-4.3 9117/2.1=56...(9) HG13 ILE 18 - HB THR 9 far 0 84 0 - 6.0-7.5 QD2 LEU 55 - HB THR 9 far 0 98 0 - 7.9-9.6 QD2 LEU 6 - HB THR 9 far 0 97 0 - 9.1-10.9 QD1 LEU 63 - HB THR 9 far 0 100 0 - 9.9-11.3 Violated in 1 structures by 0.03 A. Peak 9109 from cnoeabs.peaks (1.43, 4.32, 67.77 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.99: HB3 GLN 83 + HB THR 9 OK 98 98 100 100 3.8-5.3 1.8/9110=83, 9994=63...(12) QB ALA 113 + HB THR 9 OK 46 73 100 62 4.0-5.1 10755/2.1=25...(5) HG LEU 80 - HB THR 9 far 0 77 0 - 8.1-11.3 HG3 LYS 17 - HB THR 9 far 0 100 0 - 8.8-11.1 HB3 LYS 61 - HB THR 9 far 0 98 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 9110 from cnoeabs.peaks (2.22, 4.32, 67.77 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.97: HB2 GLN 83 + HB THR 9 OK 97 97 100 100 2.8-4.3 9995=82, 1.8/9994=53...(13) Violated in 3 structures by 0.01 A. Peak 9115 from cnoeabs.peaks (1.89, 0.86, 19.21 ppm; 4.41 A): 1 out of 5 assignments used, quality = 0.99: HB ILE 7 + QG2 THR 9 OK 99 100 100 99 3.7-4.6 2.1/9117=81, ~9108=56...(7) QE MET 67 - QG2 THR 9 far 0 84 0 - 7.0-8.7 HB2 LYS 16 - QG2 THR 9 far 0 84 0 - 7.1-8.9 HB3 LYS 16 - QG2 THR 9 far 0 87 0 - 7.3-8.5 HB3 LYS 20 - QG2 THR 9 far 0 100 0 - 9.6-11.9 Violated in 6 structures by 0.02 A. Peak 9116 from cnoeabs.peaks (1.72, 0.86, 19.21 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.87: HG12 ILE 15 + QG2 THR 9 OK 87 97 100 89 2.4-3.9 1.8/9118=48...(8) HB3 LEU 82 - QG2 THR 9 far 0 70 0 - 6.2-8.5 HB2 LEU 114 - QG2 THR 9 far 0 73 0 - 6.4-9.5 HG2 ARG 118 - QG2 THR 9 far 0 92 0 - 9.7-12.8 HB2 LYS 106 - QG2 THR 9 far 0 100 0 - 9.8-13.1 HB3 LYS 106 - QG2 THR 9 far 0 99 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 9117 from cnoeabs.peaks (0.73, 0.86, 19.21 ppm; 3.03 A): 1 out of 9 assignments used, quality = 0.70: QG2 ILE 7 + QG2 THR 9 OK 70 84 100 83 2.0-2.9 9108/2.1=34...(9) QG2 ILE 18 - QG2 THR 9 poor 14 84 45 36 4.2-5.7 2.9/9118=15...(5) HG13 ILE 18 - QG2 THR 9 far 0 100 0 - 5.0-6.0 QG1 VAL 117 - QG2 THR 9 far 0 92 0 - 5.1-7.0 QD1 LEU 6 - QG2 THR 9 far 0 73 0 - 5.5-6.1 QD2 LEU 55 - QG2 THR 9 far 0 99 0 - 5.8-7.2 QD1 LEU 63 - QG2 THR 9 far 0 92 0 - 7.0-8.3 QD2 LEU 6 - QG2 THR 9 far 0 99 0 - 7.0-8.2 QG2 ILE 54 - QG2 THR 9 far 0 77 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9118 from cnoeabs.peaks (0.63, 0.86, 19.21 ppm; 3.66 A): 2 out of 5 assignments used, quality = 0.95: HG13 ILE 15 + QG2 THR 9 OK 88 96 100 93 1.9-3.8 1.8/9116=69...(9) QD1 ILE 18 + QG2 THR 9 OK 55 77 100 72 2.4-3.4 11651/10756=28...(11) QG1 VAL 22 - QG2 THR 9 far 0 92 0 - 6.6-8.1 QD1 ILE 5 - QG2 THR 9 far 0 99 0 - 8.1-10.3 QG1 VAL 78 - QG2 THR 9 far 0 84 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 9122 from cnoeabs.peaks (4.96, 0.86, 19.21 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.98: HA ASN 10 + QG2 THR 9 OK 98 99 100 99 4.0-5.5 3.6/9143=87, ~44=58...(7) HA ASN 33 - QG2 THR 9 far 0 77 0 - 8.3-9.8 Violated in 1 structures by 0.01 A. Peak 9123 from cnoeabs.peaks (5.89, 0.86, 19.21 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.85: HA ASN 8 + QG2 THR 9 OK 85 87 100 98 3.4-3.8 3.6/1065=94...(3) Violated in 0 structures by 0.00 A. 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 99 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 9125 from cnoeabs.peaks (8.24, 0.86, 19.21 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.99: H ILE 15 + QG2 THR 9 OK 99 100 100 100 2.4-3.9 1099/9116=69...(14) H GLU 112 - QG2 THR 9 far 0 100 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 9126 from cnoeabs.peaks (8.36, 0.86, 19.21 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.99: H ASN 11 + QG2 THR 9 OK 99 99 100 100 3.2-4.2 9143=94, 9132/3.0=69...(11) H ASP 31 - QG2 THR 9 far 0 73 0 - 8.9-10.4 Violated in 1 structures by 0.01 A. Peak 9133 from cnoeabs.peaks (6.18, 3.03, 38.35 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.99: HG1 THR 9 + HB2 ASN 11 OK 99 99 100 100 2.6-4.8 9132/1074=90...(7) Violated in 0 structures by 0.00 A. Peak 9134 from cnoeabs.peaks (6.18, 2.74, 38.35 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: HG1 THR 9 + HB3 ASN 11 OK 100 100 100 100 2.9-5.7 9132/1075=91...(7) Violated in 1 structures by 0.00 A. Peak 9135 from cnoeabs.peaks (7.58, 2.74, 38.35 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: H LEU 14 + HB3 ASN 11 OK 100 100 100 100 2.4-4.7 9136/1.8=91, 9158=89...(11) H LYS 17 - HB3 ASN 11 far 0 99 0 - 7.0-9.3 Violated in 0 structures by 0.00 A. Peak 9136 from cnoeabs.peaks (7.58, 3.03, 38.35 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: H LEU 14 + HB2 ASN 11 OK 100 100 100 100 2.4-4.3 9159=82, 9158/1.8=70...(12) H LYS 17 - HB2 ASN 11 far 0 99 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 9137 from cnoeabs.peaks (1.82, 3.03, 38.35 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.98: HB2 LEU 14 + HB2 ASN 11 OK 98 98 100 100 2.4-5.9 9145/1.8=71, 1.8/9138=66...(21) HB ILE 18 - HB2 ASN 11 far 0 99 0 - 7.8-10.2 Violated in 5 structures by 0.14 A. Peak 9138 from cnoeabs.peaks (1.49, 3.03, 38.35 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.84: HB3 LEU 14 + HB2 ASN 11 OK 84 84 100 100 2.4-5.1 1.8/9137=92, 9167=71...(20) Violated in 0 structures by 0.00 A. Peak 9139 from cnoeabs.peaks (0.86, 3.03, 38.35 ppm; 4.76 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 14 + HB2 ASN 11 OK 100 100 100 100 4.3-5.9 2.1/9170=66, 3.1/9137=65...(19) QG2 THR 9 + HB2 ASN 11 OK 100 100 100 100 4.1-5.8 9143/1074=84...(13) QG2 VAL 107 - HB2 ASN 11 far 0 97 0 - 6.9-9.6 QG2 ILE 15 - HB2 ASN 11 far 0 81 0 - 6.9-8.4 QG2 VAL 117 - HB2 ASN 11 far 0 99 0 - 8.5-10.9 Violated in 1 structures by 0.02 A. Peak 9140 from cnoeabs.peaks (0.75, 3.03, 38.35 ppm; 4.66 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 14 + HB2 ASN 11 OK 90 90 100 100 1.9-3.2 9170=70, 3.1/9137=62...(24) QD1 ILE 15 + HB2 ASN 11 OK 68 87 85 93 5.1-6.5 9171/1074=46...(9) QG1 VAL 107 - HB2 ASN 11 far 0 90 0 - 6.5-8.7 QG2 ILE 7 - HB2 ASN 11 far 0 96 0 - 6.9-8.3 QD1 ILE 7 - HB2 ASN 11 far 0 77 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 9145 from cnoeabs.peaks (1.81, 2.74, 38.35 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.87: HB2 LEU 14 + HB3 ASN 11 OK 87 87 100 100 3.2-6.3 9137/1.8=81, 1.8/9146=62...(21) HB ILE 18 - HB3 ASN 11 far 0 92 0 - 7.6-11.1 Violated in 9 structures by 0.34 A. Peak 9146 from cnoeabs.peaks (1.48, 2.74, 38.35 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.65: HB3 LEU 14 + HB3 ASN 11 OK 65 65 100 100 2.2-6.3 1.8/9145=95, 9138/1.8=88...(20) Violated in 3 structures by 0.05 A. Peak 9147 from cnoeabs.peaks (0.86, 2.74, 38.35 ppm; 4.84 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 14 + HB3 ASN 11 OK 100 100 100 100 4.4-6.1 3.1/9145=63, ~9170=58...(21) QG2 THR 9 + HB3 ASN 11 OK 99 100 100 99 4.2-5.9 9143/1075=84...(10) QG2 ILE 15 - HB3 ASN 11 far 0 81 0 - 6.9-8.9 QG2 VAL 107 - HB3 ASN 11 far 0 97 0 - 7.1-9.7 QG2 VAL 117 - HB3 ASN 11 far 0 99 0 - 8.4-10.9 Violated in 4 structures by 0.03 A. Peak 9148 from cnoeabs.peaks (0.75, 2.74, 38.35 ppm; 4.70 A): 2 out of 5 assignments used, quality = 0.95: QD2 LEU 14 + HB3 ASN 11 OK 90 90 100 100 2.0-3.4 9170/1.8=66, 3.1/9145=60...(23) QD1 ILE 15 + HB3 ASN 11 OK 52 87 70 85 5.2-6.9 9171/1075=46...(7) QG1 VAL 107 - HB3 ASN 11 far 0 90 0 - 7.1-8.9 QG2 ILE 7 - HB3 ASN 11 far 0 96 0 - 7.1-8.3 QD1 ILE 7 - HB3 ASN 11 far 0 77 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 9154 from cnoeabs.peaks (0.75, 4.27, 57.61 ppm; 3.41 A): 1 out of 5 assignments used, quality = 0.86: QD1 ILE 15 + HA ASP 12 OK 86 87 100 99 2.0-3.8 9174=81, 3.2/7965=55...(13) QD2 LEU 14 - HA ASP 12 far 0 90 0 - 5.4-6.2 QG2 ILE 7 - HA ASP 12 far 0 96 0 - 7.2-8.6 QD1 ILE 7 - HA ASP 12 far 0 77 0 - 9.5-11.3 QD1 LEU 63 - HA ASP 12 far 0 90 0 - 9.9-11.8 Violated in 2 structures by 0.03 A. Peak 9155 from cnoeabs.peaks (0.63, 4.27, 57.61 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: HG13 ILE 15 + HA ASP 12 OK 100 100 100 100 2.6-4.3 2.1/9154=97, 2.9/7965=93...(11) Violated in 0 structures by 0.00 A. Peak 9156 from cnoeabs.peaks (0.84, 4.27, 57.61 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.96: QG2 ILE 15 + HA ASP 12 OK 96 96 100 100 4.2-4.7 2.1/7965=91, 3.0/9154=71...(11) QG2 ILE 57 - HA ASP 12 far 5 100 5 - 5.5-8.3 Violated in 20 structures by 0.39 A. Peak 9163 from cnoeabs.peaks (1.72, 3.98, 57.26 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.94: HG12 ILE 15 + HA LEU 14 OK 94 97 100 97 5.0-5.4 1099/3.6=69, ~9160=35...(11) HB2 LEU 114 - HA LEU 14 poor 18 73 60 40 3.9-7.4 3.1/10440=18...(5) HG2 ARG 118 - HA LEU 14 far 0 92 0 - 9.4-12.9 Violated in 20 structures by 0.75 A. Peak 9164 from cnoeabs.peaks (0.63, 3.98, 57.26 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.98: HG13 ILE 15 + HA LEU 14 OK 91 96 95 100 5.6-6.8 1100/3.6=82, 1.8/9163=80...(10) QD1 ILE 18 + HA LEU 14 OK 77 77 100 100 3.4-4.1 9063=81, 11652/4.0=79...(14) QG1 VAL 22 - HA LEU 14 far 0 92 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 9165 from cnoeabs.peaks (0.64, 1.82, 40.10 ppm; 5.81 A): 1 out of 2 assignments used, quality = 1.00: HG13 ILE 15 + HB2 LEU 14 OK 100 100 100 100 4.0-5.2 1100/4.6=82...(11) QG1 VAL 22 - HB2 LEU 14 far 0 100 0 - 7.3-9.9 Violated in 0 structures by 0.00 A. Peak 9166 from cnoeabs.peaks (3.02, 1.82, 40.10 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.92: HB2 ASN 11 + HB2 LEU 14 OK 92 92 100 100 2.4-5.9 9137=86, 9170/3.1=74...(21) HB2 ASN 59 - HB2 LEU 14 far 0 92 0 - 7.5-10.7 Violated in 3 structures by 0.04 A. Peak 9167 from cnoeabs.peaks (3.03, 1.50, 40.10 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASN 11 + HB3 LEU 14 OK 100 100 100 100 2.4-5.1 9137/1.8=95, 9138=78...(20) Violated in 0 structures by 0.00 A. Peak 9168 from cnoeabs.peaks (4.09, 0.86, 22.48 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 110 + QD1 LEU 14 OK 99 100 100 99 2.6-3.6 10371=69, 10372/2.1=54...(15) HA LYS 20 - QD1 LEU 14 far 0 99 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 9169 from cnoeabs.peaks (4.10, 0.76, 24.53 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 110 + QD2 LEU 14 OK 100 100 100 100 1.9-3.1 9168/2.1=84, 10372=80...(15) Violated in 0 structures by 0.00 A. Peak 9170 from cnoeabs.peaks (3.02, 0.76, 24.53 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.92: HB2 ASN 11 + QD2 LEU 14 OK 92 92 100 100 1.9-3.2 9137/3.1=58, 9138/3.1=50...(24) HB2 ASN 59 - QD2 LEU 14 far 0 92 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 9171 from cnoeabs.peaks (8.37, 0.76, 13.07 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.98: H ASN 11 + QD1 ILE 15 OK 98 100 100 98 4.4-5.3 3.6/9175=71, 9144=47...(8) H ASP 31 - QD1 ILE 15 far 0 92 0 - 6.6-9.1 Violated in 4 structures by 0.04 A. Peak 9172 from cnoeabs.peaks (8.59, 0.76, 13.07 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: H ASP 12 + QD1 ILE 15 OK 100 100 100 100 3.8-5.5 3.0/9174=99, 4.6/9171=64...(15) Violated in 0 structures by 0.00 A. Peak 9174 from cnoeabs.peaks (4.28, 0.76, 13.07 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.98: HA ASP 12 + QD1 ILE 15 OK 98 99 100 99 2.0-3.8 9154=80, 7965/3.2=54...(13) Violated in 2 structures by 0.03 A. Peak 9175 from cnoeabs.peaks (4.96, 0.76, 13.07 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.60: HA ASN 10 + QD1 ILE 15 OK 60 90 100 68 4.5-5.6 3.6/9171=46, 3.0/9129=27...(5) Violated in 20 structures by 0.49 A. Peak 9176 from cnoeabs.peaks (6.74, 0.76, 13.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.85: HD22 ASN 59 + QD1 ILE 15 OK 85 87 100 98 2.4-6.4 9618=81, 1.7/9617=64...(8) Violated in 2 structures by 0.01 A. Peak 9177 from cnoeabs.peaks (3.82, 0.85, 17.08 ppm; 4.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 9178 from cnoeabs.peaks (4.27, 0.85, 17.08 ppm; 4.57 A): 1 out of 3 assignments used, quality = 0.98: HA ASP 12 + QG2 ILE 15 OK 98 98 100 100 4.2-4.7 7965/2.1=96, 9156=91...(11) HA VAL 32 - QG2 ILE 15 far 0 61 0 - 7.5-8.5 HA GLU 52 - QG2 ILE 5 far 0 86 0 - 9.2-12.3 Violated in 4 structures by 0.01 A. Peak 9179 from cnoeabs.peaks (1.39, 3.22, 66.59 ppm; 5.70 A): 2 out of 3 assignments used, quality = 0.99: HG3 LYS 16 + HA ILE 15 OK 91 97 100 94 5.0-6.9 1107/3.6=89, 72/2.9=18...(9) HG LEU 14 + HA ILE 15 OK 89 90 100 100 6.1-6.5 72/2.9=64, ~71=62...(14) HB3 LEU 114 - HA ILE 15 far 10 96 10 - 6.5-9.9 Violated in 12 structures by 0.06 A. Peak 9180 from cnoeabs.peaks (2.68, 0.85, 17.08 ppm; 3.70 A): 2 out of 8 assignments used, quality = 0.61: HE3 LYS 19 + QG2 ILE 15 OK 37 61 100 61 1.9-4.3 3.0/10913=23...(7) HE2 LYS 19 + QG2 ILE 15 OK 37 61 100 61 2.3-4.6 3.0/10913=23...(7) HE2 LYS 19 - QG2 ILE 5 far 0 54 0 - 5.6-12.4 HE3 LYS 19 - QG2 ILE 5 far 0 54 0 - 6.0-12.1 HB2 TYR 27 - QG2 ILE 5 far 0 62 0 - 6.1-8.3 HB3 ASN 33 - QG2 ILE 15 far 0 94 0 - 7.3-9.2 HB2 TYR 76 - QG2 ILE 5 far 0 65 0 - 8.7-9.7 HB2 TYR 27 - QG2 ILE 15 far 0 70 0 - 9.0-11.5 Violated in 1 structures by 0.01 A. Peak 9181 from cnoeabs.peaks (2.65, 1.92, 37.42 ppm; 6.11 A): 2 out of 2 assignments used, quality = 0.99: HB3 ASP 12 + HB ILE 15 OK 90 90 100 100 4.1-5.4 3.0/7965=100, ~9156=76...(9) HB2 ASP 12 + HB ILE 15 OK 90 90 100 100 4.4-6.1 3.0/7965=100, ~9156=76...(9) Violated in 0 structures by 0.00 A. Peak 9182 from cnoeabs.peaks (2.63, 0.76, 13.07 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.93: HB3 ASP 12 + QD1 ILE 15 OK 73 73 100 100 3.1-5.6 3.0/9174=97, 4.0/9172=58...(11) HB2 ASP 12 + QD1 ILE 15 OK 73 73 100 100 3.6-6.1 3.0/9174=97, 4.0/9172=58...(11) Violated in 0 structures by 0.00 A. Peak 9186 from cnoeabs.peaks (0.84, 3.37, 65.47 ppm; 4.27 A): 2 out of 7 assignments used, quality = 0.87: QG2 VAL 22 + HA ILE 18 OK 71 84 100 85 4.0-4.7 2.1/10857=23...(11) QD1 LEU 14 + HA ILE 18 OK 57 65 100 86 4.5-5.0 11652/4.2=34...(9) QG2 ILE 57 - HA ILE 18 far 5 100 5 - 5.7-7.7 QG2 ILE 15 - HA ILE 18 far 0 98 0 - 6.4-7.0 QG2 ILE 5 - HA ILE 18 far 0 100 0 - 6.9-8.3 HG13 ILE 57 - HA ILE 18 far 0 65 0 - 7.2-9.5 HG13 ILE 5 - HA ILE 18 far 0 99 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 9187 from cnoeabs.peaks (1.40, 3.37, 65.47 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 114 + HA ILE 18 OK 100 100 100 100 3.3-6.0 3.1/11027=100...(13) QB ALA 113 + HA ILE 18 OK 88 90 100 98 6.0-7.6 10421/4.2=75...(8) HG3 LYS 16 - HA ILE 18 far 0 100 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 9188 from cnoeabs.peaks (1.96, 3.37, 65.47 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.91: HB3 GLU 21 + HA ILE 18 OK 91 92 100 99 2.4-4.0 8006=71, 10446/10439=60...(9) HB VAL 29 - HA ILE 18 far 0 92 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 9189 from cnoeabs.peaks (3.97, 3.37, 65.47 ppm; 5.79 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 21 + HA ILE 18 OK 99 99 100 100 5.0-5.4 3.0/8005=94, 2.9/2008=90...(7) HA LEU 14 + HA ILE 18 OK 64 65 100 98 5.3-5.9 9196/2906=85...(8) Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (3.22, 0.72, 17.36 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.99: HA ILE 15 + QG2 ILE 18 OK 99 99 100 100 3.4-4.8 7985/2.1=94, 1993/4.0=71...(11) HB2 PHE 120 - QG2 ILE 18 poor 20 99 20 - 6.1-8.1 Violated in 0 structures by 0.00 A. Peak 9191 from cnoeabs.peaks (3.67, 0.72, 17.36 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 19 + QG2 ILE 18 OK 98 98 100 99 2.8-3.9 ~7384=49, 9199=45...(18) Violated in 0 structures by 0.00 A. Peak 9192 from cnoeabs.peaks (3.22, 0.61, 13.41 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 15 + QD1 ILE 18 OK 88 100 100 88 2.4-4.3 7985/3.2=45...(10) HB2 PHE 120 + QD1 ILE 5 OK 77 78 100 98 2.0-3.8 2.4/4709=54...(16) HB2 PHE 120 - QD1 ILE 18 far 0 100 0 - 7.2-9.5 HA ILE 15 - QD1 ILE 5 far 0 78 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 9196 from cnoeabs.peaks (3.97, 0.61, 13.41 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.63: HA LEU 14 + QD1 ILE 18 OK 63 65 100 97 3.4-4.1 4.0/11652=57...(13) HA GLU 21 - QD1 ILE 18 far 0 99 0 - 7.6-8.2 HA GLU 21 - QD1 ILE 5 far 0 76 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 9197 from cnoeabs.peaks (1.39, 0.61, 13.41 ppm; 3.19 A): 2 out of 7 assignments used, quality = 0.85: HG LEU 14 + QD1 ILE 18 OK 73 77 100 95 3.3-3.8 2.1/11652=60, 11651=44...(13) QB ALA 113 + QD1 ILE 18 OK 45 70 100 65 2.8-4.4 10421=27, 11010/2.1=15...(10) HB3 LEU 114 - QD1 ILE 18 poor 20 99 20 - 3.5-5.8 HG3 LYS 16 - QD1 ILE 18 far 0 100 0 - 7.0-9.2 QB ALA 113 - QD1 ILE 5 far 0 47 0 - 8.7-10.4 HB3 LEU 114 - QD1 ILE 5 far 0 76 0 - 9.1-12.5 HB3 LEU 68 - QD1 ILE 5 far 0 62 0 - 9.4-12.0 Violated in 6 structures by 0.04 A. Peak 9198 from cnoeabs.peaks (0.87, 3.68, 60.85 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.52: QG2 VAL 22 + HA LYS 19 OK 52 70 100 75 2.3-2.6 10859=46, 2.1/10856=15...(10) HG13 ILE 57 - HA LYS 19 far 0 87 0 - 5.1-6.9 QG2 VAL 117 - HA LYS 19 far 0 98 0 - 6.7-8.2 QG2 THR 9 - HA LYS 19 far 0 96 0 - 7.2-8.4 QD1 LEU 14 - HA LYS 19 far 0 87 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 9199 from cnoeabs.peaks (0.72, 3.68, 60.85 ppm; 3.87 A): 3 out of 7 assignments used, quality = 0.99: QG2 ILE 18 + HA LYS 19 OK 97 100 100 97 2.8-3.9 9191=52, 2.1/2945=31...(16) QD1 ILE 57 + HA LYS 19 OK 66 84 100 79 2.9-4.8 4530/3.0=19, 9560=16...(15) QD2 LEU 55 + HA LYS 19 OK 45 73 95 65 3.0-5.5 9504=44, 11118/10859=17...(5) HG13 ILE 18 - HA LYS 19 far 0 94 0 - 5.7-6.7 QG1 VAL 117 - HA LYS 19 far 0 100 0 - 5.8-7.9 QD2 LEU 81 - HA LYS 19 far 0 81 0 - 7.4-8.7 QD1 LEU 6 - HA LYS 19 far 0 99 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 9200 from cnoeabs.peaks (0.62, 3.68, 60.85 ppm; 5.34 A): 2 out of 5 assignments used, quality = 0.98: QD1 ILE 18 + HA LYS 19 OK 93 94 100 99 5.6-6.0 2.9/9191=77, 108/3.0=73...(8) QG1 VAL 22 + HA LYS 19 OK 73 73 100 100 3.4-4.6 2.1/9198=100, 10856=39...(7) QD1 ILE 5 - HA LYS 19 far 0 100 0 - 7.4-11.1 HG13 ILE 15 - HA LYS 19 far 0 81 0 - 7.7-9.0 QD1 ILE 54 - HA LYS 19 far 0 84 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 9208 from cnoeabs.peaks (2.70, 4.13, 45.96 ppm; 5.60 A): 0 out of 0 assignments used, quality = 0.00: Peak 9211 from cnoeabs.peaks (7.56, 3.81, 45.96 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.40: HE21 GLN 25 + HA2 GLY 26 OK 40 100 45 89 6.8-8.8 9210/3.0=89 Violated in 20 structures by 1.57 A. Peak 9212 from cnoeabs.peaks (2.00, 2.66, 39.01 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.80: HB VAL 22 + HB2 TYR 27 OK 80 80 100 100 2.3-4.3 2.1/10860=89, 10875=73...(16) HG3 GLU 128 - HB2 TYR 27 far 0 73 0 - 9.3-14.0 Violated in 0 structures by 0.00 A. Peak 9213 from cnoeabs.peaks (0.85, 2.66, 39.01 ppm; 4.65 A): 2 out of 7 assignments used, quality = 0.98: QG2 VAL 22 + HB2 TYR 27 OK 97 97 100 100 3.1-4.2 10860=96, 2.1/9212=71...(16) HG13 ILE 5 + HB2 TYR 27 OK 52 100 55 94 4.8-7.8 ~4582=34, 9216/1.8=33...(12) QG2 ILE 5 - HB2 TYR 27 far 5 98 5 - 6.1-8.3 QG2 ILE 57 - HB2 TYR 27 far 0 97 0 - 7.1-10.8 HG13 ILE 57 - HB2 TYR 27 far 0 87 0 - 7.9-10.6 QG2 VAL 117 - HB2 TYR 27 far 0 65 0 - 8.3-10.1 QG2 ILE 15 - HB2 TYR 27 far 0 100 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 9214 from cnoeabs.peaks (0.65, 2.66, 39.01 ppm; 5.04 A): 1 out of 4 assignments used, quality = 0.87: QG1 VAL 22 + HB2 TYR 27 OK 87 87 100 100 3.8-5.3 2.1/10860=93...(13) QD1 ILE 54 - HB2 TYR 27 far 8 77 10 - 5.9-8.9 QD1 LEU 4 - HB2 TYR 27 far 0 95 0 - 6.8-10.8 QD1 ILE 56 - HB2 TYR 27 far 0 89 0 - 6.8-9.9 Violated in 1 structures by 0.01 A. Peak 9215 from cnoeabs.peaks (1.99, 2.37, 39.01 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 22 + HB3 TYR 27 OK 100 100 100 100 2.5-4.3 10875/1.8=79, ~10860=65...(15) HB3 GLU 21 - HB3 TYR 27 far 0 80 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 9216 from cnoeabs.peaks (0.85, 2.37, 39.01 ppm; 4.79 A): 2 out of 7 assignments used, quality = 0.99: QG2 VAL 22 + HB3 TYR 27 OK 97 97 100 100 2.1-4.7 10860/1.8=89...(16) HG13 ILE 5 + HB3 TYR 27 OK 76 100 80 95 4.6-7.8 ~4582=36, ~9054=31...(12) QG2 ILE 5 - HB3 TYR 27 far 15 98 15 - 6.1-7.5 QG2 ILE 57 - HB3 TYR 27 far 0 97 0 - 7.0-9.9 HG13 ILE 57 - HB3 TYR 27 far 0 87 0 - 7.1-9.2 QG2 VAL 117 - HB3 TYR 27 far 0 65 0 - 8.3-9.9 QG2 ILE 15 - HB3 TYR 27 far 0 100 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 9217 from cnoeabs.peaks (0.64, 2.37, 39.01 ppm; 5.11 A): 3 out of 5 assignments used, quality = 1.00: QG1 VAL 22 + HB3 TYR 27 OK 100 100 100 100 3.7-5.2 10858/1.8=88...(17) QD1 ILE 5 + HB3 TYR 27 OK 45 77 60 97 4.1-7.1 9056/4.4=46, 4588/2.5=44...(10) QD1 ILE 54 + HB3 TYR 27 OK 25 99 30 84 5.2-8.7 9237/152=59...(4) QD1 LEU 4 - HB3 TYR 27 far 5 100 5 - 6.1-10.3 QD1 ILE 71 - HB3 TYR 27 far 0 77 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 9221 from cnoeabs.peaks (2.02, 6.59, 117.91 ppm; 5.37 A): 1 out of 4 assignments used, quality = 0.95: HB2 GLN 25 + QE TYR 27 OK 95 95 100 100 3.2-6.6 4571/2.2=100...(9) HG3 GLU 128 - QE TYR 27 poor 15 91 55 29 4.7-8.6 10655/4595=29 HG2 GLU 128 - QE TYR 27 poor 8 91 35 26 5.8-9.0 10655/4595=25 HB2 MET 1 - QE TYR 27 far 0 84 0 - 8.0-11.8 Violated in 2 structures by 0.07 A. Peak 9222 from cnoeabs.peaks (1.81, 6.59, 117.91 ppm; 4.50 A): 2 out of 6 assignments used, quality = 1.00: HG12 ILE 5 + QE TYR 27 OK 95 95 100 100 2.2-4.8 2.1/9229=83, 9052=57...(16) HB ILE 3 + QE TYR 27 OK 92 95 100 96 3.5-5.7 2.1/9017=77, 3.2/4595=58...(7) HB2 ARG 118 - QE TYR 27 far 0 88 0 - 7.7-10.1 HB ILE 18 - QE TYR 27 far 0 72 0 - 8.1-12.2 HB2 LYS 19 - QE TYR 27 far 0 54 0 - 9.1-12.7 HB ILE 57 - QE TYR 27 far 0 65 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 9223 from cnoeabs.peaks (1.47, 6.59, 117.91 ppm; 6.06 A): 1 out of 5 assignments used, quality = 0.91: HD2 LYS 53 + QE TYR 27 OK 91 91 100 100 2.4-4.9 1.8/4593=94, 9475=85...(8) HG12 ILE 57 - QE TYR 27 far 4 72 5 - 7.4-11.5 HG12 ILE 7 - QE TYR 27 far 3 69 5 - 5.8-9.9 HG3 ARG 118 - QE TYR 27 far 0 86 0 - 8.2-10.2 HB3 LEU 6 - QE TYR 27 far 0 65 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 9224 from cnoeabs.peaks (1.27, 6.59, 117.91 ppm; 5.51 A): 1 out of 3 assignments used, quality = 0.94: HD3 LYS 53 + QE TYR 27 OK 94 94 100 100 2.3-3.9 9479=76, 1.8/9223=70...(9) HD2 LYS 2 - QE TYR 27 far 4 81 5 - 6.4-11.6 HG13 ILE 7 - QE TYR 27 far 3 54 5 - 5.5-9.8 Violated in 0 structures by 0.00 A. Peak 9225 from cnoeabs.peaks (1.08, 6.59, 117.91 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 3 + QE TYR 27 OK 94 94 100 100 2.4-4.1 9017=96, 3.0/4595=61...(13) HG2 LYS 53 + QE TYR 27 OK 91 91 100 100 1.8-5.1 3.0/4593=59, ~4585=55...(12) HG2 LYS 2 - QE TYR 27 far 0 76 0 - 7.5-11.4 HG2 LYS 19 - QE TYR 27 far 0 62 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 9226 from cnoeabs.peaks (0.94, 6.59, 117.91 ppm; 5.58 A): 1 out of 3 assignments used, quality = 0.94: HG3 LYS 53 + QE TYR 27 OK 94 94 100 100 2.0-4.2 4585/2.2=84, 3.0/4593=82...(12) HG13 ILE 56 - QE TYR 27 far 0 54 0 - 8.0-11.2 QD2 LEU 127 - QE TYR 27 far 0 88 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 9227 from cnoeabs.peaks (0.85, 6.59, 117.91 ppm; 5.12 A): 3 out of 8 assignments used, quality = 1.00: HG13 ILE 5 + QE TYR 27 OK 95 95 100 100 2.0-4.5 2.1/9229=95, 1.8/9052=74...(17) QG2 ILE 5 + QE TYR 27 OK 91 91 100 100 3.2-5.8 3.0/9229=85, 3.2/9052=61...(13) QG2 VAL 22 + QE TYR 27 OK 67 90 75 99 4.4-7.1 10852/2.2=64...(10) HG13 ILE 57 - QE TYR 27 far 0 79 0 - 6.9-10.5 QG2 VAL 117 - QE TYR 27 far 0 58 0 - 7.2-9.2 QG2 ILE 57 - QE TYR 27 far 0 90 0 - 7.5-10.8 QG2 ILE 15 - QE TYR 27 far 0 95 0 - 8.6-12.4 QG2 THR 9 - QE TYR 27 far 0 65 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 9228 from cnoeabs.peaks (0.71, 6.59, 117.91 ppm; 6.20 A): 1 out of 9 assignments used, quality = 0.74: QG1 VAL 117 + QE TYR 27 OK 74 81 100 91 4.8-6.9 10601/10582=56...(8) QG2 ILE 18 - QE TYR 27 poor 15 88 60 29 5.3-8.3 11117/10851=14...(4) QG2 ILE 56 - QE TYR 27 far 10 65 15 - 6.6-10.2 QD1 ILE 57 - QE TYR 27 far 9 94 10 - 6.2-10.1 QG2 VAL 78 - QE TYR 27 lone 9 69 85 15 5.3-8.2 5413/9229=14 QD2 LEU 81 - QE TYR 27 far 5 94 5 - 7.7-10.0 QD1 LEU 6 - QE TYR 27 far 5 93 5 - 7.5-10.7 QD2 LEU 45 - QE TYR 27 far 3 69 5 - 7.4-10.6 HG13 ILE 18 - QE TYR 27 far 0 54 0 - 8.8-11.7 Violated in 9 structures by 0.16 A. Peak 9229 from cnoeabs.peaks (0.61, 6.59, 117.91 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.60: QD1 ILE 5 + QE TYR 27 OK 60 62 100 97 2.0-4.4 9056=47, 2.1/9052=41...(16) QG1 VAL 78 - QE TYR 27 far 0 88 0 - 5.9-8.1 QD1 ILE 18 - QE TYR 27 far 0 91 0 - 7.5-10.0 Violated in 1 structures by 0.02 A. Peak 9233 from cnoeabs.peaks (4.85, 1.78, 30.45 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 54 + HB3 GLN 28 OK 99 100 100 99 2.0-4.6 9232/1181=87...(4) Violated in 0 structures by 0.00 A. Peak 9239 from cnoeabs.peaks (0.79, 4.50, 54.38 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 29 + HA GLN 28 OK 95 97 100 98 4.5-5.5 4.0/158=82, 3.2/10675=67...(4) Violated in 18 structures by 0.40 A. Peak 9240 from cnoeabs.peaks (0.87, 4.50, 54.38 ppm; 4.55 A): 0 out of 1 assignment used, quality = 0.00: HG13 ILE 57 - HA GLN 28 far 0 77 0 - 7.7-10.3 Violated in 20 structures by 4.10 A. Peak 9245 from cnoeabs.peaks (2.71, 0.80, 21.46 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.98: HE2 LYS 19 + QG1 VAL 29 OK 85 96 100 89 2.0-4.3 4.0/10926=43...(10) HE3 LYS 19 + QG1 VAL 29 OK 85 96 100 89 2.1-4.4 4.0/10926=43...(10) HB3 ASN 33 - QG1 VAL 29 far 0 65 0 - 9.0-12.6 HE3 LYS 53 - QG1 VAL 29 far 0 92 0 - 9.5-14.3 Violated in 1 structures by 0.00 A. Peak 9246 from cnoeabs.peaks (2.70, 0.90, 21.87 ppm; 6.10 A): 2 out of 3 assignments used, quality = 1.00: HE2 LYS 19 + QG2 VAL 29 OK 99 100 100 99 2.1-5.4 6.3/9247=63...(9) HE3 LYS 19 + QG2 VAL 29 OK 99 100 100 99 3.2-5.5 6.3/9247=63...(9) HE2 LYS 61 - QG2 VAL 104 far 0 51 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 9247 from cnoeabs.peaks (3.67, 0.90, 21.87 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.88: HA LYS 19 + QG2 VAL 29 OK 88 92 100 95 1.9-3.9 11520/2.1=60...(11) Violated in 0 structures by 0.00 A. Peak 9249 from cnoeabs.peaks (3.67, 0.80, 21.46 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 19 + QG1 VAL 29 OK 97 97 100 100 2.3-4.1 9247/2.1=96...(13) Violated in 0 structures by 0.00 A. Peak 9251 from cnoeabs.peaks (5.04, 1.65, 32.39 ppm; 6.19 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 29 + HB2 ARG 30 OK 99 100 100 99 5.1-5.8 7431/4.0=96, 9252/1.8=46...(6) HA ILE 56 + HB2 ARG 30 OK 80 81 100 100 2.3-4.6 4.2/9259=78, 4.0/9258=68...(9) Violated in 0 structures by 0.00 A. Peak 9252 from cnoeabs.peaks (5.04, 1.51, 32.39 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 29 + HB3 ARG 30 OK 99 100 100 99 4.3-5.1 7431/4.0=96, 9251/1.8=47...(5) HA ILE 56 + HB3 ARG 30 OK 80 81 100 100 2.0-4.0 4.2/9550=82...(8) Violated in 0 structures by 0.00 A. Peak 9253 from cnoeabs.peaks (5.05, 1.45, 26.70 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 29 + HG3 ARG 30 OK 93 98 100 95 3.4-6.7 7431/4.9=84, 9251/2.8=40...(4) HA ILE 56 + HG3 ARG 30 OK 91 96 100 95 3.3-5.3 10680/4.9=74...(6) Violated in 0 structures by 0.00 A. Peak 9256 from cnoeabs.peaks (0.94, 1.51, 32.39 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.73: HG13 ILE 56 + HB3 ARG 30 OK 73 73 100 100 3.8-5.9 2.1/9550=91, 9258/1.8=85...(7) HG3 LYS 53 - HB3 ARG 30 far 0 97 0 - 8.2-12.9 Violated in 0 structures by 0.00 A. Peak 9257 from cnoeabs.peaks (0.67, 1.51, 32.39 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.94: QD1 ILE 56 + HB3 ARG 30 OK 92 92 100 100 1.8-4.9 9550=81, 9259/1.8=74...(12) QD1 LEU 55 + HB3 ARG 30 OK 22 84 45 58 4.3-7.7 11554/3.0=51...(4) QD2 LEU 4 - HB3 ARG 30 lone 5 97 40 12 5.4-7.6 10734/10948=4...(4) QD1 ILE 71 - HB3 ARG 30 far 0 70 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 9258 from cnoeabs.peaks (0.95, 1.65, 32.39 ppm; 5.94 A): 1 out of 3 assignments used, quality = 0.92: HG13 ILE 56 + HB2 ARG 30 OK 92 92 100 100 4.6-5.8 2.1/9259=94, ~9550=89...(10) QD1 LEU 38 - HB2 ARG 30 far 0 81 0 - 8.1-9.3 HG3 LYS 53 - HB2 ARG 30 far 0 84 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 9259 from cnoeabs.peaks (0.67, 1.65, 32.39 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 56 + HB2 ARG 30 OK 99 99 100 100 1.9-6.0 9550/1.8=96...(13) QD1 LEU 55 - HB2 ARG 30 poor 13 65 20 - 5.5-8.8 QD2 LEU 4 - HB2 ARG 30 far 9 87 10 - 6.3-8.5 QD1 ILE 71 - HB2 ARG 30 far 0 87 0 - 7.7-9.9 Violated in 1 structures by 0.05 A. Peak 9260 from cnoeabs.peaks (0.76, 1.65, 32.39 ppm; 5.37 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 54 + HB2 ARG 30 OK 86 87 100 99 3.1-5.2 9488/3.0=65, 9498/3.6=59...(11) QG2 VAL 32 + HB2 ARG 30 OK 83 99 100 84 3.4-4.7 9273/172=76, 9303/2.8=17...(4) QD1 LEU 45 - HB2 ARG 30 far 5 99 5 - 6.7-8.5 QD1 ILE 7 - HB2 ARG 30 far 0 94 0 - 7.3-11.0 QD1 LEU 63 - HB2 ARG 30 far 0 70 0 - 7.7-9.2 QD1 ILE 15 - HB2 ARG 30 far 0 98 0 - 8.5-11.0 QG2 ILE 7 - HB2 ARG 30 far 0 81 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 9261 from cnoeabs.peaks (0.73, 3.33, 42.86 ppm; 4.63 A): 1 out of 9 assignments used, quality = 0.75: QG2 ILE 54 + HD2 ARG 30 OK 75 77 100 97 2.0-5.4 9263/1.8=82, ~9264=41...(7) QD2 LEU 45 - HD2 ARG 30 poor 20 98 20 - 5.2-7.9 QD2 LEU 55 - HD2 ARG 30 far 5 99 5 - 5.8-8.6 QD2 LEU 6 - HD2 ARG 30 far 0 99 0 - 7.2-10.9 QG2 ILE 18 - HD2 ARG 30 far 0 84 0 - 8.2-11.8 QD1 LEU 6 - HD2 ARG 30 far 0 73 0 - 8.7-11.9 QG2 VAL 78 - HD2 ARG 30 far 0 98 0 - 8.9-12.3 QD1 LEU 63 - HD2 ARG 30 far 0 92 0 - 8.9-12.1 QG1 VAL 117 - HD2 ARG 30 far 0 92 0 - 9.9-13.2 Violated in 6 structures by 0.12 A. Peak 9262 from cnoeabs.peaks (0.66, 3.33, 42.86 ppm; 5.91 A): 1 out of 4 assignments used, quality = 0.93: QD1 ILE 56 + HD2 ARG 30 OK 93 98 95 100 2.2-8.3 9550/3.6=89...(6) QD1 LEU 4 - HD2 ARG 30 lone 2 84 25 11 6.4-10.0 4389/9261=8, ~10927=2 QG1 VAL 22 - HD2 ARG 30 far 0 70 0 - 7.8-11.9 QD1 ILE 71 - HD2 ARG 30 far 0 100 0 - 8.2-11.4 Violated in 1 structures by 0.12 A. Peak 9263 from cnoeabs.peaks (0.74, 2.93, 42.86 ppm; 4.38 A): 1 out of 9 assignments used, quality = 0.91: QG2 ILE 54 + HD3 ARG 30 OK 91 92 100 99 2.2-5.4 9261/1.8=70, 9498=67...(9) QD2 LEU 45 - HD3 ARG 30 far 4 90 5 - 5.8-7.9 QD2 LEU 55 - HD3 ARG 30 far 0 100 0 - 5.9-9.0 QD1 LEU 45 - HD3 ARG 30 far 0 65 0 - 7.2-9.5 QG2 ILE 18 - HD3 ARG 30 far 0 65 0 - 8.4-11.7 QD2 LEU 6 - HD3 ARG 30 far 0 100 0 - 8.4-10.7 QD1 LEU 63 - HD3 ARG 30 far 0 99 0 - 9.1-11.3 QG2 VAL 78 - HD3 ARG 30 far 0 90 0 - 9.7-11.9 QG1 VAL 117 - HD3 ARG 30 far 0 77 0 - 9.9-13.8 Violated in 6 structures by 0.08 A. Peak 9264 from cnoeabs.peaks (0.64, 2.93, 42.86 ppm; 5.06 A): 1 out of 5 assignments used, quality = 0.99: QD1 ILE 54 + HD3 ARG 30 OK 99 100 100 100 2.8-5.2 11330/3.0=90...(6) QD1 LEU 4 - HD3 ARG 30 far 0 99 0 - 7.5-9.7 QG1 VAL 22 - HD3 ARG 30 far 0 100 0 - 7.9-11.7 QD1 ILE 5 - HD3 ARG 30 far 0 81 0 - 9.3-12.9 QD1 ILE 71 - HD3 ARG 30 far 0 73 0 - 9.5-11.4 Violated in 1 structures by 0.00 A. Peak 9265 from cnoeabs.peaks (7.93, 2.47, 42.72 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.99: HD21 ASN 33 + HB3 ASP 31 OK 94 99 100 95 4.2-6.8 9314/1.8=55, 1.7/9266=45...(6) HD21 ASN 33 + HB2 ASP 31 OK 85 99 90 96 3.2-7.7 1.7/9266=48...(6) Violated in 1 structures by 0.03 A. Peak 9266 from cnoeabs.peaks (7.02, 2.47, 42.72 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.98: HD22 ASN 33 + HB2 ASP 31 OK 88 100 95 93 2.6-9.4 9315/1.8=47, 9315=43...(6) HD22 ASN 33 + HB3 ASP 31 OK 83 100 90 92 4.0-7.7 9315/1.8=47, 9315=42...(6) HE22 GLN 28 - HB3 ASP 31 far 0 96 0 - 10.0-14.8 Violated in 2 structures by 0.14 A. Peak 9267 from cnoeabs.peaks (1.82, 2.47, 42.72 ppm; 5.98 A): 2 out of 8 assignments used, quality = 1.00: HB ILE 57 + HB2 ASP 31 OK 100 100 100 100 2.3-5.6 9569/3.0=95, 9577/4.5=66...(12) HB ILE 57 + HB3 ASP 31 OK 100 100 100 100 2.3-6.1 9569/3.0=95, 9577/4.5=66...(13) HB3 LYS 19 - HB3 ASP 31 far 13 87 15 - 6.8-10.1 HB3 LYS 19 - HB2 ASP 31 far 9 87 10 - 6.9-10.2 HB ILE 18 - HB2 ASP 31 far 0 100 0 - 8.0-10.9 HB ILE 18 - HB3 ASP 31 far 0 100 0 - 8.3-10.9 HB2 LEU 14 - HB3 ASP 31 far 0 100 0 - 9.8-13.1 HB2 LEU 14 - HB2 ASP 31 far 0 100 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 9268 from cnoeabs.peaks (0.85, 2.47, 42.72 ppm; 5.74 A): 6 out of 14 assignments used, quality = 1.00: HG13 ILE 57 + HB2 ASP 31 OK 93 94 100 99 3.3-6.7 ~9573=59, ~9270=59...(10) QG2 ILE 57 + HB2 ASP 31 OK 92 92 100 100 3.4-6.4 ~9270=69, ~9569=68...(11) QG2 ILE 57 + HB3 ASP 31 OK 92 92 100 100 3.1-6.8 ~9270=69, ~9569=68...(12) HG13 ILE 57 + HB3 ASP 31 OK 84 94 90 100 2.5-7.4 ~9573=59, ~9270=59...(11) QG1 VAL 32 + HB2 ASP 31 OK 63 70 100 90 5.7-7.1 ~11682=57, 1206/4.5=56 QG1 VAL 32 + HB3 ASP 31 OK 59 69 100 85 6.2-7.0 ~11682=57, 1206/4.5=56 QG2 ILE 15 - HB2 ASP 31 lone 15 100 100 15 3.3-5.3 4505/9267=9, 4533/9557=5 QG2 ILE 15 - HB3 ASP 31 lone 14 100 100 14 3.3-5.5 4505/9267=9, 4533/9557=5 QG2 VAL 22 - HB2 ASP 31 far 5 99 5 - 7.1-10.6 QG2 THR 9 - HB2 ASP 31 lone 1 84 30 2 6.7-8.6 QG2 THR 9 - HB3 ASP 31 lone 1 84 30 2 6.6-9.1 QG2 VAL 22 - HB3 ASP 31 far 0 99 0 - 7.4-10.8 QG2 ILE 5 - HB2 ASP 31 far 0 94 0 - 9.3-12.5 QG2 ILE 5 - HB3 ASP 31 far 0 94 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 9269 from cnoeabs.peaks (0.73, 2.47, 42.72 ppm; 5.64 A): 0 out of 16 assignments used, quality = 0.00: QD2 LEU 55 - HB2 ASP 31 poor 20 99 20 - 5.9-9.2 QG2 ILE 18 - HB2 ASP 31 far 8 84 10 - 6.3-10.5 QD1 LEU 63 - HB3 ASP 31 far 5 92 5 - 7.1-8.1 QD2 LEU 55 - HB3 ASP 31 lone 4 99 40 9 5.9-9.4 11487/9554=5...(3) QD1 LEU 63 - HB2 ASP 31 lone 1 92 75 1 5.9-8.4 QG2 ILE 18 - HB3 ASP 31 lone 0 84 25 2 6.4-10.0 QG2 ILE 7 - HB3 ASP 31 far 0 84 0 - 7.4-10.5 QD1 LEU 6 - HB2 ASP 31 far 0 73 0 - 7.5-9.2 QG2 ILE 54 - HB3 ASP 31 far 0 77 0 - 7.6-9.6 QG2 ILE 54 - HB2 ASP 31 far 0 77 0 - 7.6-10.1 QD2 LEU 6 - HB2 ASP 31 far 0 99 0 - 7.7-10.4 QG2 ILE 7 - HB2 ASP 31 far 0 84 0 - 7.7-9.6 QD1 LEU 6 - HB3 ASP 31 far 0 73 0 - 7.7-9.7 QD2 LEU 6 - HB3 ASP 31 far 0 99 0 - 7.9-10.4 QG1 VAL 117 - HB3 ASP 31 far 0 92 0 - 9.4-12.8 QG1 VAL 117 - HB2 ASP 31 far 0 92 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 9270 from cnoeabs.peaks (1.83, 5.21, 53.37 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.99: * HB ILE 57 + HA ASP 31 OK 99 100 100 100 2.0-4.1 9569=91, 1371/9570=63...(11) HB3 LYS 19 - HA ASP 31 far 0 96 0 - 8.5-10.4 HB ILE 18 - HA ASP 31 far 0 99 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 9277 from cnoeabs.peaks (7.61, 4.25, 61.56 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.98: H ASP 34 + HA VAL 32 OK 98 98 100 100 3.3-3.4 9322=93, 187/183=88...(12) H LEU 64 - HA VAL 32 far 0 73 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 9278 from cnoeabs.peaks (7.62, 0.87, 21.73 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: H ASP 34 + QG1 VAL 32 OK 100 100 100 100 1.8-2.3 9319=97, 187/185=56...(12) H LEU 64 - QG1 VAL 32 far 10 96 10 - 5.1-6.2 H GLU 69 - QG1 VAL 32 far 0 94 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 9279 from cnoeabs.peaks (7.82, 0.87, 21.73 ppm; 5.67 A): 1 out of 2 assignments used, quality = 0.92: H LYS 39 + QG1 VAL 32 OK 92 92 100 100 4.2-4.8 3.6/9288=96...(11) H GLU 66 - QG1 VAL 32 poor 6 73 30 28 6.9-8.2 2092/11252=13...(3) Violated in 0 structures by 0.00 A. Peak 9280 from cnoeabs.peaks (7.62, 0.76, 21.14 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.98: H ASP 34 + QG2 VAL 32 OK 97 97 100 100 3.9-4.4 9278/2.1=97, 1878/186=96...(9) H LEU 64 + QG2 VAL 32 OK 38 100 100 38 6.7-7.4 9736/10928=36 H GLU 69 - QG2 VAL 32 far 0 99 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9281 from cnoeabs.peaks (7.81, 0.76, 21.14 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.73: H LYS 39 + QG2 VAL 32 OK 73 73 100 100 4.5-5.4 3.6/9289=94, 9279/2.1=81...(6) H GLU 66 - QG2 VAL 32 far 0 92 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (8.20, 0.87, 21.73 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: H LEU 38 + QG1 VAL 32 OK 99 99 100 100 2.1-3.0 11505=99, 3.0/9288=70...(19) Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (8.20, 0.76, 21.14 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.99: H LEU 38 + QG2 VAL 32 OK 99 99 100 100 2.8-4.0 11505/2.1=98...(14) Violated in 0 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (4.98, 4.25, 61.56 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 33 + HA VAL 32 OK 100 100 100 100 4.4-4.4 2.9/183=100, 3.6/9322=89...(9) Violated in 0 structures by 0.00 A. Peak 9287 from cnoeabs.peaks (3.76, 1.78, 33.88 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.73: HB2 SER 58 + HB VAL 32 OK 73 73 100 100 3.3-5.2 9290/2.1=88...(11) Violated in 0 structures by 0.00 A. Peak 9288 from cnoeabs.peaks (3.91, 0.87, 21.73 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 38 + QG1 VAL 32 OK 100 100 100 100 2.6-3.2 11003=97, 2.9/10930=49...(14) HB2 SER 35 - QG1 VAL 32 far 0 90 0 - 5.1-6.1 HA LEU 64 - QG1 VAL 32 far 0 100 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 9289 from cnoeabs.peaks (3.91, 0.76, 21.14 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 38 + QG2 VAL 32 OK 100 100 100 100 1.9-2.9 11003/2.1=89, 9375=54...(16) HA LEU 64 - QG2 VAL 32 far 0 97 0 - 6.0-6.9 HB2 SER 35 - QG2 VAL 32 far 0 99 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 9290 from cnoeabs.peaks (3.77, 0.76, 21.14 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.83: HB2 SER 58 + QG2 VAL 32 OK 83 84 100 99 4.8-6.1 9287/2.1=67, ~9602=65...(8) HA LEU 68 - QG2 VAL 32 far 0 87 0 - 8.6-9.7 Violated in 18 structures by 0.23 A. Peak 9291 from cnoeabs.peaks (2.16, 4.25, 61.56 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.90: HB3 GLU 37 + HA VAL 32 OK 90 90 100 100 2.9-4.4 1.8/9292=82, 9373=75...(19) Violated in 0 structures by 0.00 A. Peak 9292 from cnoeabs.peaks (2.27, 4.25, 61.56 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: HB2 GLU 37 + HA VAL 32 OK 99 99 100 100 2.6-3.8 1.8/9291=72, 9306/183=59...(18) Violated in 0 structures by 0.00 A. Peak 9293 from cnoeabs.peaks (2.45, 4.25, 61.56 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 37 + HA VAL 32 OK 99 99 100 100 3.5-5.6 1.8/9294=88, 3.0/9292=81...(17) HG3 GLU 41 + HA VAL 32 OK 81 87 95 98 4.3-8.0 ~9399=66, ~9300=62...(9) Violated in 1 structures by 0.00 A. Peak 9294 from cnoeabs.peaks (2.71, 4.25, 61.56 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.77: HG3 GLU 37 + HA VAL 32 OK 77 77 100 100 2.2-5.0 3.0/9292=72, 3.0/9291=69...(17) HE3 LYS 19 - HA VAL 32 far 0 81 0 - 8.1-12.3 HE2 LYS 19 - HA VAL 32 far 0 81 0 - 8.2-12.5 Violated in 10 structures by 0.07 A. Peak 9295 from cnoeabs.peaks (2.92, 4.25, 61.56 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.99: HB2 ASN 33 + HA VAL 32 OK 94 94 100 100 5.1-5.7 4.0/183=99, 4.6/9322=85...(7) HB2 ASP 34 + HA VAL 32 OK 89 92 100 97 5.6-6.7 4.0/9322=90...(4) HD3 ARG 30 - HA VAL 32 lone 3 81 25 14 6.6-9.2 ~9303=12 HE2 LYS 44 - HA VAL 32 far 0 90 0 - 8.2-12.8 HE3 LYS 44 - HA VAL 32 far 0 90 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 9297 from cnoeabs.peaks (2.71, 0.87, 21.73 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.73: HG3 GLU 37 + QG1 VAL 32 OK 73 73 100 100 1.8-4.8 3.0/9365=63, 9294/3.2=61...(20) HE3 LYS 19 - QG1 VAL 32 far 0 84 0 - 8.7-11.7 HE2 LYS 19 - QG1 VAL 32 far 0 84 0 - 8.8-12.6 Violated in 3 structures by 0.01 A. Peak 9298 from cnoeabs.peaks (2.44, 0.87, 21.73 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 37 + QG1 VAL 32 OK 100 100 100 100 2.9-5.2 1.8/9297=68, 3.0/9365=55...(21) HG3 GLU 41 + QG1 VAL 32 OK 65 65 100 99 3.3-5.5 1.8/9300=91, ~9399=66...(10) HG3 GLU 69 - QG1 VAL 32 far 0 99 0 - 9.7-12.8 Violated in 4 structures by 0.04 A. Peak 9299 from cnoeabs.peaks (2.25, 0.87, 21.73 ppm; 4.10 A): 0 out of 0 assignments used, quality = 0.00: Peak 9300 from cnoeabs.peaks (2.14, 0.87, 21.73 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.85: HG2 GLU 41 + QG1 VAL 32 OK 85 99 95 90 3.2-5.2 9399/2.1=76, 1.8/9298=21...(8) Violated in 17 structures by 0.66 A. Peak 9301 from cnoeabs.peaks (2.44, 0.76, 21.14 ppm; 3.92 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 37 + QG2 VAL 32 OK 100 100 100 100 2.2-5.1 ~9297=40, 9374/3.2=39...(19) HG3 GLU 41 + QG2 VAL 32 OK 64 65 100 98 1.7-4.2 1.8/9399=81, ~9300=52...(13) Violated in 0 structures by 0.00 A. Peak 9302 from cnoeabs.peaks (2.13, 0.76, 21.14 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 41 + QG2 VAL 32 OK 99 100 100 99 1.8-3.2 9399=89, 9300/2.1=62...(13) HB2 LEU 38 + QG2 VAL 32 OK 63 65 100 96 3.2-4.1 2.9/9289=44, 1.8/9303=43...(9) Violated in 0 structures by 0.00 A. Peak 9303 from cnoeabs.peaks (1.45, 0.76, 21.14 ppm; 4.07 A): 1 out of 10 assignments used, quality = 0.80: HB3 LEU 38 + QG2 VAL 32 OK 80 81 100 100 2.6-3.6 10930/2.1=63...(11) HG3 ARG 30 - QG2 VAL 32 poor 20 99 40 49 3.6-6.9 4.8/9273=37, 2.8/9260=19 HG12 ILE 57 - QG2 VAL 32 lone 4 84 25 17 4.9-7.4 175/9273=14, 3357/9260=4 HG2 LYS 39 - QG2 VAL 32 far 0 92 0 - 5.8-8.9 HG3 LYS 44 - QG2 VAL 32 far 0 94 0 - 6.3-8.2 HG LEU 4 - QG2 VAL 32 far 0 99 0 - 8.3-11.1 HB3 LEU 4 - QG2 VAL 32 far 0 92 0 - 8.4-9.5 HB3 LEU 6 - QG2 VAL 32 far 0 90 0 - 9.0-10.0 HB2 LEU 4 - QG2 VAL 32 far 0 92 0 - 9.2-10.6 HG12 ILE 7 - QG2 VAL 32 far 0 87 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 9304 from cnoeabs.peaks (2.26, 0.76, 21.14 ppm; 5.43 A): 1 out of 3 assignments used, quality = 0.87: HB2 GLU 37 + QG2 VAL 32 OK 87 87 100 100 1.9-4.0 ~9365=79, 9363/2.1=79...(21) HB3 ASN 8 - QG2 VAL 32 far 0 73 0 - 8.8-10.1 HG2 GLU 69 - QG2 VAL 32 far 0 73 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 9308 from cnoeabs.peaks (0.74, 4.98, 53.40 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.90: QD1 LEU 63 + HA ASN 33 OK 90 100 100 90 2.5-3.8 11256=70, 10795/3.0=31...(6) QD2 LEU 6 - HA ASN 33 far 0 97 0 - 9.1-10.6 Violated in 1 structures by 0.01 A. Peak 9309 from cnoeabs.peaks (2.03, 2.93, 40.96 ppm; 4.27 A): 3 out of 4 assignments used, quality = 0.96: HB2 GLU 89 + HB2 ASP 86 OK 82 87 100 94 2.2-5.5 3.0/11302=39, ~10048=35...(9) HB3 GLU 89 + HB2 ASP 86 OK 69 87 85 93 3.6-5.9 3.0/11302=39, ~10048=35...(8) HB3 GLN 85 + HB2 ASP 86 OK 24 87 45 60 4.3-7.1 4.6/1570=52...(3) HB3 GLU 87 - HB2 ASP 86 poor 16 87 30 63 4.9-7.1 1575/7742=52...(3) Violated in 0 structures by 0.00 A. Peak 9323 from cnoeabs.peaks (0.72, 3.09, 42.40 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 63 + HB3 ASP 34 OK 89 90 100 100 4.8-5.7 ~11349=71, 11262/3.0=65...(7) Violated in 18 structures by 0.20 A. Peak 9324 from cnoeabs.peaks (0.73, 4.70, 53.48 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.87: QD1 LEU 63 + HA ASP 34 OK 87 92 100 94 3.0-3.4 11263=63, 2.1/11262=36...(8) Violated in 8 structures by 0.01 A. Peak 9328 from cnoeabs.peaks (8.39, 3.09, 42.40 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: H ASP 36 + HB3 ASP 34 OK 100 100 100 100 2.9-4.5 1880/196=88, 9343=82...(5) Violated in 0 structures by 0.00 A. Peak 9329 from cnoeabs.peaks (8.39, 2.91, 42.40 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: H ASP 36 + HB2 ASP 34 OK 100 100 100 100 2.7-4.7 9343/1.8=96, 1880/195=90...(4) Violated in 0 structures by 0.00 A. Peak 9335 from cnoeabs.peaks (1.69, 4.05, 61.45 ppm; 5.94 A): 3 out of 5 assignments used, quality = 0.90: HG3 LYS 39 + HA SER 35 OK 68 87 100 78 3.9-6.3 4.9/8033=65, 1.8/8031=23 HD2 LYS 39 + HA SER 35 OK 47 61 90 85 4.2-7.6 6.2/8033=52, ~10113=44...(4) HD3 LYS 39 + HA SER 35 OK 44 65 80 85 4.1-7.8 6.2/8033=52, ~10113=44...(4) HD2 LYS 40 - HA SER 35 far 0 99 0 - 7.5-11.0 HD3 LYS 40 - HA SER 35 far 0 98 0 - 7.6-10.9 Violated in 0 structures by 0.00 A. Peak 9336 from cnoeabs.peaks (1.87, 4.05, 61.45 ppm; 6.13 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 63 + HA SER 35 OK 99 99 100 100 5.6-6.8 3.1/9338=99...(12) QE MET 67 + HA SER 35 OK 68 81 100 84 4.7-7.4 4739/9338=43...(7) QE MET 42 - HA SER 35 far 15 100 15 - 7.3-10.1 HG LEU 70 - HA SER 35 far 0 65 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 9337 from cnoeabs.peaks (0.87, 4.05, 61.45 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.98: QG1 VAL 32 + HA SER 35 OK 94 99 100 95 3.2-3.8 10930/8032=51...(10) QD2 LEU 38 + HA SER 35 OK 69 70 100 100 1.7-2.0 3.1/8029=65, 3.1/8032=54...(17) Violated in 0 structures by 0.00 A. Peak 9338 from cnoeabs.peaks (0.71, 4.05, 61.45 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 63 + HA SER 35 OK 99 99 100 100 1.8-2.6 11048=90, 10797/3.0=49...(16) QD1 LEU 6 - HA SER 35 far 0 100 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 9345 from cnoeabs.peaks (1.70, 4.52, 57.67 ppm; 4.16 A): 3 out of 9 assignments used, quality = 1.00: HG3 LYS 39 + HA ASP 36 OK 99 100 100 99 1.9-4.7 3598/2035=46...(12) HD3 LYS 39 + HA ASP 36 OK 71 97 75 97 1.9-6.7 3.0/10933=39...(11) HD2 LYS 39 + HA ASP 36 OK 70 96 75 97 1.9-6.3 3.0/10933=39...(11) HD3 LYS 40 - HA ASP 36 poor 17 70 25 - 5.0-7.4 HD2 LYS 40 - HA ASP 36 far 7 73 10 - 4.3-7.7 HD2 LYS 44 - HA ASP 36 far 0 100 0 - 8.3-13.4 HD3 LYS 44 - HA ASP 36 far 0 99 0 - 8.5-13.1 HD3 LYS 43 - HA ASP 36 far 0 81 0 - 9.6-11.7 HD2 LYS 43 - HA ASP 36 far 0 61 0 - 9.6-11.5 Violated in 2 structures by 0.03 A. Peak 9346 from cnoeabs.peaks (3.00, 4.52, 57.67 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.88: HE2 LYS 39 + HA ASP 36 OK 71 73 100 97 2.2-6.2 3.6/10933=49...(10) HE3 LYS 39 + HA ASP 36 OK 59 81 75 97 2.0-7.6 3.6/10933=49...(10) HE2 LYS 43 - HA ASP 36 far 0 77 0 - 7.0-11.4 Violated in 6 structures by 0.21 A. Peak 9347 from cnoeabs.peaks (4.05, 2.84, 40.28 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HA SER 35 + HB2 ASP 36 OK 100 100 100 100 5.5-6.1 3.6/1224=99, 8027/203=69 HA GLU 37 + HB2 ASP 36 OK 90 90 100 100 4.0-5.5 2.9/203=100, ~204=88...(4) Violated in 0 structures by 0.00 A. Peak 9351 from cnoeabs.peaks (9.54, 2.27, 29.72 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.92: H ASN 33 + HB2 GLU 37 OK 92 92 100 100 3.7-4.3 9305/1.8=88, 187/9317=78...(8) Violated in 0 structures by 0.00 A. Peak 9352 from cnoeabs.peaks (9.55, 2.17, 29.72 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.99: H ASN 33 + HB3 GLU 37 OK 99 99 100 100 3.2-4.8 9305=99, 9306/1.8=98...(8) Violated in 0 structures by 0.00 A. Peak 9353 from cnoeabs.peaks (9.54, 2.44, 36.55 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.77: H ASN 33 + HG2 GLU 37 OK 77 77 100 100 3.6-5.8 9351/3506=74...(7) Violated in 6 structures by 0.04 A. Peak 9354 from cnoeabs.peaks (9.54, 2.73, 36.55 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.77: H ASN 33 + HG3 GLU 37 OK 77 77 100 100 2.8-4.7 9353/1.8=95, 9351/3.0=85...(9) Violated in 0 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (7.60, 2.73, 36.55 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.81: H ASP 34 + HG3 GLU 37 OK 81 81 100 100 2.7-4.4 9357/3.0=87, 9318/3.0=73...(14) Violated in 0 structures by 0.00 A. Peak 9357 from cnoeabs.peaks (7.61, 2.27, 29.72 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.94: H ASP 34 + HB2 GLU 37 OK 94 94 100 100 3.1-4.4 9318/1.8=88, 9317=84...(12) Violated in 1 structures by 0.01 A. Peak 9363 from cnoeabs.peaks (0.85, 2.27, 29.72 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.69: QG1 VAL 32 + HB2 GLU 37 OK 69 70 100 100 2.4-3.6 9365/1.8=77, 3.2/9292=60...(18) QG2 ILE 57 - HB2 GLU 37 far 0 92 0 - 8.8-11.4 HG13 ILE 57 - HB2 GLU 37 far 0 94 0 - 9.6-12.2 QG2 ILE 15 - HB2 GLU 37 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (0.75, 2.27, 29.72 ppm; 4.77 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 63 + HB2 GLU 37 OK 94 98 100 96 4.8-6.0 10986/207=56...(6) QG2 VAL 32 + HB2 GLU 37 OK 73 73 100 100 1.9-4.0 2.1/9363=86, 3.2/9292=72...(21) QG2 ILE 54 - HB2 GLU 37 far 0 100 0 - 8.2-11.0 QD2 LEU 6 - HB2 GLU 37 far 0 87 0 - 8.3-10.8 QD1 LEU 45 - HB2 GLU 37 far 0 97 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 9365 from cnoeabs.peaks (0.86, 2.17, 29.72 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.90: QG1 VAL 32 + HB3 GLU 37 OK 90 90 100 100 1.9-4.2 9363/1.8=69...(21) QG2 ILE 57 - HB3 GLU 37 far 0 73 0 - 9.1-11.6 Violated in 1 structures by 0.01 A. Peak 9366 from cnoeabs.peaks (0.75, 2.17, 29.72 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.97: QD1 LEU 63 + HB3 GLU 37 OK 88 98 95 95 4.3-6.1 10986/208=59...(7) QG2 VAL 32 + HB3 GLU 37 OK 73 73 100 100 2.4-4.2 2.1/9365=82, 3.2/9373=62...(20) QD2 LEU 6 - HB3 GLU 37 far 0 87 0 - 9.0-11.2 QG2 ILE 54 - HB3 GLU 37 far 0 100 0 - 9.4-11.2 QD1 ILE 15 - HB3 GLU 37 far 0 70 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9367 from cnoeabs.peaks (0.88, 2.44, 36.55 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.98: QG1 VAL 32 + HG2 GLU 37 OK 92 92 100 100 2.9-5.2 9297/1.8=58, 9298=51...(20) QG2 VAL 104 + HG3 GLU 98 OK 77 86 90 99 2.2-6.0 2.1/10233=64...(10) QD2 LEU 38 - HG2 GLU 37 far 4 87 5 - 5.2-7.3 QD2 LEU 90 - HG3 GLU 98 far 0 89 0 - 7.6-10.4 Violated in 7 structures by 0.04 A. Peak 9368 from cnoeabs.peaks (0.86, 2.73, 36.55 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 32 + HG3 GLU 37 OK 98 98 100 100 1.8-4.8 9365/3.0=87, 9363/3.0=68...(21) Violated in 0 structures by 0.00 A. Peak 9369 from cnoeabs.peaks (0.75, 2.73, 36.55 ppm; 5.57 A): 2 out of 5 assignments used, quality = 0.99: QG2 VAL 32 + HG3 GLU 37 OK 90 90 100 100 2.2-5.0 2.1/9368=82, 3.2/9370=71...(18) QD1 LEU 63 + HG3 GLU 37 OK 88 90 100 99 4.0-6.7 9360/1231=62...(8) QD2 LEU 6 - HG3 GLU 37 far 0 70 0 - 9.0-12.2 QG2 ILE 54 - HG3 GLU 37 far 0 98 0 - 9.4-12.0 QD1 ILE 15 - HG3 GLU 37 far 0 87 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 9370 from cnoeabs.peaks (4.24, 2.73, 36.55 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.94: HA VAL 32 + HG3 GLU 37 OK 94 94 100 100 2.2-5.0 9374/1.8=85, 9373/3.0=84...(18) Violated in 0 structures by 0.00 A. Peak 9372 from cnoeabs.peaks (4.23, 2.27, 29.72 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.77: HA VAL 32 + HB2 GLU 37 OK 77 77 100 100 2.6-3.8 9373/1.8=76, 9292=69...(18) Violated in 0 structures by 0.00 A. Peak 9373 from cnoeabs.peaks (4.24, 2.17, 29.72 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.94: HA VAL 32 + HB3 GLU 37 OK 94 94 100 100 2.9-4.4 9291=78, 9292/1.8=76...(19) Violated in 0 structures by 0.00 A. Peak 9374 from cnoeabs.peaks (4.23, 2.44, 36.55 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.77: HA VAL 32 + HG2 GLU 37 OK 77 77 100 100 3.5-5.6 9372/3506=78...(17) Violated in 13 structures by 0.14 A. Peak 9375 from cnoeabs.peaks (0.75, 3.91, 59.13 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.95: QG2 VAL 32 + HA LEU 38 OK 89 90 100 100 1.9-2.9 2.1/11003=85, 9289=76...(16) QD1 LEU 63 + HA LEU 38 OK 51 90 60 94 4.4-5.9 10986/3.0=50, ~9684=31...(11) QD2 LEU 6 - HA LEU 38 far 0 70 0 - 6.5-7.2 QD1 LEU 45 - HA LEU 38 far 0 100 0 - 7.3-9.3 QG2 ILE 54 - HA LEU 38 far 0 98 0 - 7.3-8.8 QD2 LEU 55 - HA LEU 38 far 0 73 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9376 from cnoeabs.peaks (3.83, 1.52, 27.18 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.92: HA LYS 39 + HG LEU 38 OK 92 92 100 100 2.9-3.3 9380/2.1=85, 3.0/215=73...(11) Violated in 0 structures by 0.00 A. Peak 9377 from cnoeabs.peaks (4.04, 1.52, 27.18 ppm; 5.62 A): 3 out of 4 assignments used, quality = 0.99: HA SER 35 + HG LEU 38 OK 96 96 100 100 4.4-4.7 8029/3.0=90...(11) HA GLU 66 + HG LEU 38 OK 75 87 90 96 6.1-7.4 ~9696=64, ~11060=42...(6) HA LYS 40 + HG LEU 38 OK 35 73 100 47 6.5-7.1 ~9392=46 HA GLU 69 - HG LEU 38 far 0 70 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 9378 from cnoeabs.peaks (2.75, 1.52, 27.18 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.92: HG3 MET 42 + HG LEU 38 OK 92 92 100 100 3.2-5.1 10993/2.1=88...(13) HB2 ASP 60 - HG LEU 38 far 0 73 0 - 8.8-10.9 Violated in 3 structures by 0.03 A. Peak 9379 from cnoeabs.peaks (2.66, 1.52, 27.18 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: HG2 MET 42 + HG LEU 38 OK 100 100 100 100 3.1-4.8 10992/2.1=87...(14) HB3 ASP 36 - HG LEU 38 far 0 99 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 9380 from cnoeabs.peaks (3.84, 0.89, 25.56 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 39 + QD2 LEU 38 OK 99 99 100 100 2.4-3.0 9390=81, 3.0/10457=62...(15) Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (2.38, 0.89, 25.56 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.91: HG2 GLU 66 + QD2 LEU 38 OK 87 87 100 100 3.1-4.9 1.8/9385=98, 11064=79...(11) HG3 MET 67 + QD2 LEU 38 OK 33 73 45 99 5.1-7.1 ~10991=64, ~9711=53...(17) Violated in 7 structures by 0.03 A. Peak 9385 from cnoeabs.peaks (2.18, 0.89, 25.56 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.98: HG3 GLU 66 + QD2 LEU 38 OK 98 98 100 100 2.9-3.6 11067=91, 1.8/11064=63...(11) HB3 GLU 37 - QD2 LEU 38 far 0 98 0 - 5.1-6.2 HB2 GLN 62 - QD2 LEU 38 far 0 81 0 - 5.8-7.5 HB3 GLN 62 - QD2 LEU 38 far 0 81 0 - 6.4-8.3 HB2 MET 42 - QD2 LEU 38 far 0 92 0 - 6.4-7.4 Violated in 14 structures by 0.05 A. Peak 9386 from cnoeabs.peaks (8.38, 0.89, 25.56 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: H ASP 36 + QD2 LEU 38 OK 95 99 100 96 4.0-4.5 2030/1237=59...(7) H MET 67 + QD2 LEU 38 OK 92 92 100 100 4.3-5.1 9699/2.1=71, 408/9696=56...(15) Violated in 0 structures by 0.00 A. Peak 9390 from cnoeabs.peaks (0.88, 3.84, 59.87 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.86: QD2 LEU 38 + HA LYS 39 OK 86 87 100 98 2.4-3.0 9380=59, 7470/3.0=38...(13) QG1 VAL 32 - HA LYS 39 far 0 92 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 9396 from cnoeabs.peaks (1.69, 4.26, 58.07 ppm; 4.44 A): 2 out of 13 assignments used, quality = 0.96: HD2 LYS 44 + HA GLU 41 OK 87 96 100 91 4.3-5.9 2.9/9397=44, 3.7/8074=38...(7) HD3 LYS 44 + HA GLU 41 OK 67 92 80 91 2.7-6.0 2.9/9397=44, 3.7/8074=38...(7) HD3 LYS 40 - HA GLU 41 far 0 87 0 - 6.1-7.5 HB ILE 56 - HA GLU 41 far 0 99 0 - 6.3-9.1 HG3 LYS 39 - HA GLU 41 far 0 98 0 - 6.6-9.3 HD2 LYS 40 - HA GLU 41 far 0 90 0 - 6.6-7.5 HG12 ILE 71 - HA GLU 41 far 0 100 0 - 6.7-11.2 HB ILE 54 - HA GLU 41 far 0 90 0 - 7.0-9.7 HD2 LYS 39 - HA GLU 41 far 0 84 0 - 7.7-10.4 HD2 LYS 43 - HA GLU 41 far 0 81 0 - 8.3-9.4 HD3 LYS 39 - HA GLU 41 far 0 87 0 - 8.4-10.4 HD3 LYS 43 - HA GLU 41 far 0 94 0 - 8.9-9.8 HG LEU 74 - HA GLU 41 far 0 90 0 - 9.2-12.3 Violated in 18 structures by 0.29 A. Peak 9397 from cnoeabs.peaks (1.58, 4.26, 58.07 ppm; 5.61 A): 1 out of 2 assignments used, quality = 1.00: HG2 LYS 44 + HA GLU 41 OK 100 100 100 100 3.4-5.2 1286/2060=90...(7) HB3 LEU 70 - HA GLU 41 far 0 84 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 9398 from cnoeabs.peaks (0.76, 4.26, 58.07 ppm; 4.90 A): 2 out of 4 assignments used, quality = 0.98: QG2 VAL 32 + HA GLU 41 OK 95 99 100 96 4.4-4.9 9399/4.2=74, 9394/3.0=64...(5) QD1 LEU 45 + HA GLU 41 OK 69 99 100 70 4.6-6.3 1297/2066=34...(4) QG2 ILE 54 - HA GLU 41 lone 6 87 100 6 4.7-6.4 9400/3.0=5 QD1 LEU 63 - HA GLU 41 far 0 70 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 9399 from cnoeabs.peaks (0.75, 2.13, 34.90 ppm; 3.18 A): 1 out of 7 assignments used, quality = 0.84: QG2 VAL 32 + HG2 GLU 41 OK 84 92 100 91 1.8-3.2 2.1/9300=54, 9302=42...(12) QG2 ILE 54 - HG2 GLU 41 far 0 97 0 - 5.0-7.4 QD2 LEU 6 - HG2 GLU 41 far 0 65 0 - 5.2-8.7 QD1 LEU 63 - HG2 GLU 41 far 0 87 0 - 5.2-7.7 QD1 LEU 45 - HG2 GLU 41 far 0 100 0 - 5.8-8.2 QD2 LEU 55 - HG2 GLU 41 far 0 70 0 - 8.6-11.4 QD1 ILE 7 - HG2 GLU 41 far 0 81 0 - 9.8-13.0 Violated in 1 structures by 0.00 A. Peak 9400 from cnoeabs.peaks (0.74, 1.95, 28.25 ppm; 4.25 A): 1 out of 14 assignments used, quality = 0.21: QD1 LEU 45 + HB3 GLU 41 OK 21 87 65 37 4.7-7.1 9414/4.7=18, 9398/3.0=11...(4) QD2 LEU 45 - HB2 GLU 41 poor 14 69 20 - 5.4-7.7 QD2 LEU 45 - HB3 GLU 41 lone 11 70 80 19 4.8-6.6 ~9398=14, 9416/3771=5 QG2 ILE 54 - HB3 GLU 41 lone 5 99 60 9 4.6-6.7 11707/11236=6, 9431/3806=1 QG2 ILE 54 - HB2 GLU 41 far 5 99 5 - 5.2-7.9 QD2 LEU 6 - HB2 GLU 41 far 5 97 5 - 5.7-7.2 QD2 LEU 6 - HB3 GLU 41 lone 2 97 60 4 5.0-7.0 11707/11236=2 QD1 LEU 45 - HB2 GLU 41 far 0 87 0 - 5.8-7.7 QD1 LEU 63 - HB2 GLU 41 far 0 100 0 - 6.0-7.5 QD1 LEU 63 - HB3 GLU 41 far 0 100 0 - 6.8-7.9 QG2 VAL 78 - HB3 GLU 41 far 0 70 0 - 7.2-9.8 QG2 VAL 78 - HB2 GLU 41 far 0 69 0 - 8.2-9.8 QD2 LEU 55 - HB3 GLU 41 far 0 98 0 - 8.3-11.5 QD2 LEU 55 - HB2 GLU 41 far 0 98 0 - 9.4-12.1 Violated in 20 structures by 1.31 A. Peak 9401 from cnoeabs.peaks (0.74, 2.46, 34.90 ppm; 4.11 A): 0 out of 7 assignments used, quality = 0.00: QD2 LEU 45 - HG3 GLU 41 far 10 70 15 - 4.7-8.5 QD1 LEU 63 - HG3 GLU 41 far 5 100 5 - 5.6-7.9 QG2 ILE 54 - HG3 GLU 41 far 5 99 5 - 4.7-7.2 QD2 LEU 6 - HG3 GLU 41 far 5 97 5 - 5.5-8.0 QD1 LEU 45 - HG3 GLU 41 far 0 87 0 - 5.6-8.4 QG2 VAL 78 - HG3 GLU 41 far 0 70 0 - 8.1-10.7 QD2 LEU 55 - HG3 GLU 41 far 0 98 0 - 8.5-11.6 Violated in 19 structures by 0.89 A. Peak 9402 from cnoeabs.peaks (0.66, 2.46, 34.90 ppm; 5.64 A): 1 out of 4 assignments used, quality = 0.44: QD1 ILE 56 + HG3 GLU 41 OK 44 100 100 44 3.2-6.3 11236/3.0=24...(3) QD2 LEU 4 - HG3 GLU 41 poor 20 65 30 - 6.0-9.7 QD1 ILE 71 - HG3 GLU 41 far 10 98 10 - 6.2-8.9 QD1 LEU 4 - HG3 GLU 41 far 7 65 10 - 6.8-10.1 Violated in 1 structures by 0.04 A. Peak 9403 from cnoeabs.peaks (3.96, 2.13, 34.90 ppm; 5.18 A): 0 out of 2 assignments used, quality = 0.00: HA MET 67 - HG2 GLU 41 far 10 96 10 - 4.6-8.7 HB3 SER 35 - HG2 GLU 41 far 0 97 0 - 8.7-11.4 Violated in 19 structures by 2.03 A. Peak 9404 from cnoeabs.peaks (3.92, 2.46, 34.90 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.97: HA LEU 38 + HG3 GLU 41 OK 97 97 100 100 1.9-4.2 2045/1264=87...(12) HA LEU 64 - HG3 GLU 41 far 4 90 5 - 6.7-10.1 HB2 SER 35 - HG3 GLU 41 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9405 from cnoeabs.peaks (8.60, 1.87, 17.86 ppm; 6.01 A): 1 out of 2 assignments used, quality = 1.00: H ILE 71 + QE MET 42 OK 100 100 100 100 3.0-5.4 3.0/9426=85...(14) H LEU 80 - QE MET 42 far 0 100 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 9407 from cnoeabs.peaks (7.73, 1.87, 17.86 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.97: H LEU 70 + QE MET 42 OK 91 92 100 99 3.8-6.4 2112/9424=69...(10) H LYS 73 + QE MET 42 OK 70 99 80 88 6.1-8.4 2124/9426=60...(7) H GLU 47 - QE MET 42 far 0 81 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 9409 from cnoeabs.peaks (6.71, 1.87, 17.86 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 76 + QE MET 42 OK 99 99 100 99 4.2-7.6 9818/11277=74...(14) QE TYR 102 + QE MET 42 OK 56 99 90 63 5.8-8.3 10193/11685=34...(4) QD PHE 79 - QE MET 42 far 0 94 0 - 8.3-10.3 Violated in 3 structures by 0.07 A. Peak 9415 from cnoeabs.peaks (0.87, 4.38, 57.05 ppm; 5.01 A): 0 out of 2 assignments used, quality = 0.00: QD2 LEU 38 - HA MET 42 far 0 70 0 - 7.4-7.8 QG1 VAL 32 - HA MET 42 far 0 99 0 - 7.9-8.9 Violated in 20 structures by 2.01 A. Peak 9416 from cnoeabs.peaks (0.74, 4.38, 57.05 ppm; 4.22 A): 2 out of 6 assignments used, quality = 0.96: QD1 LEU 45 + HA MET 42 OK 87 87 100 100 2.2-4.2 9435=77, 3.1/8079=56...(14) QD2 LEU 45 + HA MET 42 OK 69 70 100 100 3.8-4.4 2.1/9435=69, 3.1/8079=56...(15) QG2 ILE 54 - HA MET 42 poor 20 99 20 - 5.0-7.6 QD2 LEU 6 - HA MET 42 far 0 97 0 - 5.9-7.2 QG2 VAL 78 - HA MET 42 far 0 70 0 - 6.0-7.1 QD1 LEU 63 - HA MET 42 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9417 from cnoeabs.peaks (0.89, 2.19, 31.25 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.92: QD2 LEU 70 + HB2 MET 42 OK 77 77 100 100 2.0-4.3 ~11368=66, ~11369=64...(25) QD1 LEU 70 + HB2 MET 42 OK 65 65 100 100 3.0-4.0 ~11367=53, 11368/3.0=52...(24) QD2 LEU 38 - HB2 MET 42 far 15 100 15 - 6.4-7.4 Violated in 0 structures by 0.00 A. Peak 9418 from cnoeabs.peaks (0.75, 2.19, 31.25 ppm; 5.64 A): 1 out of 5 assignments used, quality = 0.97: QD1 LEU 45 + HB2 MET 42 OK 97 97 100 100 3.6-5.5 9435/3.0=88, ~9434=57...(14) QD2 LEU 6 - HB2 MET 42 lone 10 87 90 13 5.5-7.2 4746/4.2=7, 11610/4929=4 QG2 ILE 54 - HB2 MET 42 far 10 100 10 - 6.6-9.1 QG2 VAL 32 - HB2 MET 42 far 7 73 10 - 7.1-8.8 QD1 LEU 63 - HB2 MET 42 far 0 98 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 9419 from cnoeabs.peaks (0.88, 1.95, 31.25 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.87: QD2 LEU 38 + HB3 MET 42 OK 87 87 100 100 5.5-6.7 ~10993=71, ~10992=70...(10) QG1 VAL 32 - HB3 MET 42 far 0 92 0 - 7.6-9.4 Violated in 11 structures by 0.14 A. Peak 9420 from cnoeabs.peaks (1.52, 2.66, 32.47 ppm; 5.41 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 38 + HG2 MET 42 OK 100 100 100 100 3.1-4.8 9379=100, 9378/1.8=92...(14) HG2 LYS 43 + HG2 MET 42 OK 81 99 100 82 3.9-5.8 1276/248=59...(3) HG LEU 6 - HG2 MET 42 far 5 100 5 - 6.9-10.8 HB2 LEU 6 - HG2 MET 42 far 0 92 0 - 7.8-11.3 HB3 ARG 30 - HG2 MET 42 far 0 99 0 - 7.9-12.8 Violated in 0 structures by 0.00 A. Peak 9421 from cnoeabs.peaks (0.90, 2.66, 32.47 ppm; 4.20 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 70 + HG2 MET 42 OK 100 100 100 100 2.1-4.7 2.1/11368=84, ~11369=56...(28) QD1 LEU 70 + HG2 MET 42 OK 100 100 100 100 1.9-3.8 11368=100, 11369/1.8=85...(29) QD2 LEU 38 + HG2 MET 42 OK 72 77 95 99 4.6-5.8 2.1/10992=66...(11) Violated in 0 structures by 0.00 A. Peak 9422 from cnoeabs.peaks (1.52, 2.76, 32.47 ppm; 5.32 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 38 + HG3 MET 42 OK 100 100 100 100 3.2-5.1 9378=89, 2.1/10993=88...(13) HG2 LYS 43 + HG3 MET 42 OK 66 92 100 72 3.3-6.0 1276/249=46, 9420/1.8=35 HG LEU 6 - HG3 MET 42 far 5 100 5 - 6.6-11.2 HB2 LEU 6 - HG3 MET 42 far 0 77 0 - 7.8-11.5 HB3 ARG 30 - HG3 MET 42 far 0 94 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 9423 from cnoeabs.peaks (0.90, 2.76, 32.47 ppm; 4.05 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 70 + HG3 MET 42 OK 100 100 100 100 1.9-3.5 11368/1.8=86, 11369=85...(29) QD2 LEU 70 + HG3 MET 42 OK 100 100 100 100 3.0-4.7 2.1/11369=66...(27) QD2 LEU 38 + HG3 MET 42 OK 34 77 45 97 4.6-6.1 2.1/10993=63...(10) Violated in 0 structures by 0.00 A. Peak 9424 from cnoeabs.peaks (3.94, 1.87, 17.86 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.95: HA MET 67 + QE MET 42 OK 95 96 100 99 1.9-4.7 3.7/9427=64, 3.0/3805=36...(18) HB3 SER 35 - QE MET 42 far 0 94 0 - 8.9-11.6 Violated in 1 structures by 0.00 A. Peak 9425 from cnoeabs.peaks (3.83, 1.87, 17.86 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.76: HA LYS 39 + QE MET 42 OK 76 77 100 98 5.6-7.3 11044/3.3=65...(5) HA2 GLY 75 - QE MET 42 far 0 92 0 - 8.6-11.5 Violated in 16 structures by 0.56 A. Peak 9426 from cnoeabs.peaks (3.74, 1.87, 17.86 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.99: HA ILE 71 + QE MET 42 OK 99 100 100 99 3.2-5.8 3.9/11685=68...(11) HA LYS 61 - QE MET 42 far 0 70 0 - 9.8-11.9 Violated in 3 structures by 0.07 A. Peak 9427 from cnoeabs.peaks (2.40, 1.87, 17.86 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.81: HG3 MET 67 + QE MET 42 OK 81 100 85 95 2.0-5.8 3.7/9424=47...(16) HG2 GLU 66 - QE MET 42 far 0 97 0 - 6.4-10.1 HG3 GLN 62 - QE MET 42 far 0 81 0 - 9.3-14.2 HG2 GLN 62 - QE MET 42 far 0 77 0 - 10.0-13.7 Violated in 12 structures by 0.55 A. Peak 9428 from cnoeabs.peaks (1.54, 1.87, 17.86 ppm; 3.60 A): 0 out of 4 assignments used, quality = 0.00: HB VAL 78 - QE MET 42 far 0 87 0 - 5.1-7.4 QB ALA 46 - QE MET 42 far 0 99 0 - 5.7-7.8 HG2 LYS 65 - QE MET 42 far 0 99 0 - 8.6-11.1 HG12 ILE 3 - QE MET 42 far 0 73 0 - 9.2-11.7 Violated in 20 structures by 1.88 A. Peak 9429 from cnoeabs.peaks (1.46, 1.87, 17.86 ppm; 3.91 A): 3 out of 9 assignments used, quality = 0.79: HG LEU 4 + QE MET 42 OK 65 97 85 79 3.6-6.9 2.1/10736=58...(8) HB2 LEU 74 + QE MET 42 OK 23 96 35 69 4.4-9.2 3.1/11277=47...(5) HB3 LEU 38 + QE MET 42 OK 20 100 25 82 3.9-7.0 3.1/11532=22, ~10993=21...(12) HG3 ARG 30 - QE MET 42 far 0 98 0 - 6.1-9.1 HB3 LEU 6 - QE MET 42 far 0 100 0 - 6.4-7.5 HG12 ILE 57 - QE MET 42 far 0 100 0 - 7.0-10.3 HG2 LYS 39 - QE MET 42 far 0 100 0 - 7.5-10.2 HG12 ILE 7 - QE MET 42 far 0 100 0 - 9.5-12.4 HG LEU 80 - QE MET 42 far 0 70 0 - 9.6-11.9 Violated in 14 structures by 0.29 A. Peak 9430 from cnoeabs.peaks (0.90, 1.87, 17.86 ppm; 3.29 A): 2 out of 6 assignments used, quality = 0.96: QD1 LEU 70 + QE MET 42 OK 91 97 100 94 3.1-4.7 11368/3.3=40...(20) QD2 LEU 70 + QE MET 42 OK 50 99 55 92 4.1-5.7 11367/3.3=27, ~11368=20...(19) QD2 LEU 38 - QE MET 42 far 0 92 0 - 4.9-7.0 HG13 ILE 54 - QE MET 42 far 0 87 0 - 6.0-9.4 QG2 VAL 29 - QE MET 42 far 0 100 0 - 9.0-11.1 QG2 VAL 104 - QE MET 42 far 0 77 0 - 10.0-12.0 Violated in 19 structures by 0.65 A. Peak 9431 from cnoeabs.peaks (0.76, 1.87, 17.86 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.60: QD1 LEU 45 + QE MET 42 OK 60 99 100 60 1.9-4.7 9435/3804=29, 4022=13...(8) QG2 VAL 32 - QE MET 42 poor 20 99 20 - 3.8-6.6 QG2 ILE 54 - QE MET 42 poor 18 87 60 34 2.8-6.0 11707/9547=12...(4) QD1 LEU 63 - QE MET 42 far 0 70 0 - 6.4-8.7 QD2 LEU 80 - QE MET 42 far 0 65 0 - 6.9-10.9 QD1 ILE 7 - QE MET 42 far 0 94 0 - 7.0-9.0 QD1 LEU 80 - QE MET 42 far 0 70 0 - 7.1-9.9 QG2 ILE 7 - QE MET 42 far 0 81 0 - 8.7-10.4 Violated in 8 structures by 0.21 A. Peak 9432 from cnoeabs.peaks (0.67, 1.87, 17.86 ppm; 3.17 A): 3 out of 5 assignments used, quality = 0.97: QD1 ILE 71 + QE MET 42 OK 78 87 100 90 1.7-3.6 11630=41, 2.1/11685=33...(18) QD1 ILE 56 + QE MET 42 OK 67 99 95 71 2.6-4.8 9547=35, 2.1/11532=33...(11) QD2 LEU 4 + QE MET 42 OK 56 87 95 68 1.9-5.0 2.1/10736=38...(6) QD1 LEU 55 - QE MET 42 far 0 65 0 - 6.0-9.3 QG2 ILE 97 - QE MET 42 far 0 73 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 9434 from cnoeabs.peaks (4.38, 1.88, 26.77 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: HA MET 42 + HG LEU 45 OK 100 100 100 100 2.6-4.4 9435/2.1=88...(13) HA GLU 48 - HG LEU 45 far 0 87 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 9435 from cnoeabs.peaks (4.39, 0.75, 25.49 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.95: HA MET 42 + QD1 LEU 45 OK 95 96 100 100 2.2-4.2 2065/1297=54...(14) HA GLU 48 - QD1 LEU 45 far 0 65 0 - 7.1-8.7 HA MET 42 - QD1 LEU 63 far 0 31 0 - 9.8-10.9 Violated in 1 structures by 0.00 A. Peak 9436 from cnoeabs.peaks (4.37, 0.72, 23.70 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.94: HA MET 42 + QD2 LEU 45 OK 94 94 100 100 3.8-4.4 2065/1298=89...(15) HA GLU 48 - QD2 LEU 45 lone 2 100 100 2 5.8-7.4 HA SER 72 - QD2 LEU 45 far 0 94 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 9437 from cnoeabs.peaks (2.89, 0.72, 23.70 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.65: HE3 LYS 2 + QD2 LEU 45 OK 65 99 75 88 3.4-8.7 ~9439=33, ~11504=30...(8) Violated in 8 structures by 1.01 A. Peak 9438 from cnoeabs.peaks (2.73, 0.72, 23.70 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: HE3 LYS 53 - QD2 LEU 45 far 0 70 0 - 8.7-12.0 HG3 GLU 37 - QD2 LEU 45 far 0 98 0 - 9.7-13.5 Violated in 20 structures by 3.34 A. Peak 9439 from cnoeabs.peaks (2.74, 0.75, 25.49 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.73: HE2 LYS 2 + QD1 LEU 45 OK 59 65 95 94 2.0-7.0 ~9437=61, 1.8/9440=37...(10) HB2 ASP 60 + QD1 LEU 63 OK 34 34 100 100 2.2-3.7 ~9679=59, 9639/2.1=56...(18) HG3 GLU 37 - QD1 LEU 63 poor 17 27 65 - 4.0-6.7 Violated in 0 structures by 0.00 A. Peak 9440 from cnoeabs.peaks (2.87, 0.75, 25.49 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.91: HE3 LYS 2 + QD1 LEU 45 OK 87 90 100 97 2.0-6.8 1.8/9439=63, 9437/2.1=51...(7) HB3 ASN 59 + QD1 LEU 63 OK 33 36 100 91 5.0-6.7 1383/9613=60, 9621=59 Violated in 0 structures by 0.00 A. Peak 9441 from cnoeabs.peaks (6.72, 1.90, 41.77 ppm; 5.84 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 76 + HB2 LEU 45 OK 100 100 100 100 2.4-3.8 4623/1.8=100, ~4611=89...(12) Violated in 0 structures by 0.00 A. Peak 9442 from cnoeabs.peaks (6.84, 1.49, 41.77 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.77: QD TYR 76 + HB3 LEU 45 OK 77 77 100 100 3.8-6.2 2.2/9443=97...(15) Violated in 1 structures by 0.00 A. Peak 9443 from cnoeabs.peaks (6.71, 1.49, 41.77 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + HB3 LEU 45 OK 99 99 100 100 1.9-4.3 2.2/4611=94, 4623=82...(10) Violated in 0 structures by 0.00 A. Peak 9445 from cnoeabs.peaks (6.71, 0.75, 25.49 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.92: QE TYR 76 + QD1 LEU 45 OK 92 92 100 100 1.9-3.2 9450/2.1=74, 2.2/4618=66...(14) QE TYR 102 - QD1 LEU 45 far 0 90 0 - 7.9-10.4 QD PHE 79 - QD1 LEU 45 far 0 77 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 9446 from cnoeabs.peaks (6.85, 0.75, 25.49 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 76 + QD1 LEU 45 OK 99 99 100 100 2.0-3.9 4611/4021=88...(16) Violated in 0 structures by 0.00 A. Peak 9448 from cnoeabs.peaks (7.12, 0.72, 23.70 ppm; 5.63 A): 0 out of 1 assignment used, quality = 0.00: QD PHE 51 - QD2 LEU 45 lone 6 97 40 15 6.1-9.1 9476/9470=14 Violated in 20 structures by 1.91 A. Peak 9449 from cnoeabs.peaks (6.85, 0.72, 23.70 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 76 + QD2 LEU 45 OK 99 99 100 100 4.1-6.3 4618/2.1=98, 2.2/9450=94...(15) Violated in 12 structures by 0.26 A. Peak 9450 from cnoeabs.peaks (6.71, 0.72, 23.70 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.92: QE TYR 76 + QD2 LEU 45 OK 92 92 100 100 3.1-5.4 9445/2.1=75, 4623/3.1=63...(14) QE TYR 102 - QD2 LEU 45 far 0 90 0 - 10.0-12.1 Violated in 10 structures by 0.31 A. Peak 9452 from cnoeabs.peaks (6.71, 1.55, 18.88 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.60: QE TYR 76 + QB ALA 46 OK 60 92 100 66 4.7-6.2 9818/9461=45, 10189=31 Violated in 1 structures by 0.00 A. Peak 9453 from cnoeabs.peaks (8.16, 1.55, 18.88 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.99: H LEU 45 + QB ALA 46 OK 99 100 100 99 4.4-4.6 1890/1301=95...(4) Violated in 0 structures by 0.00 A. Peak 9454 from cnoeabs.peaks (1.89, 4.25, 53.67 ppm; 5.50 A): 3 out of 7 assignments used, quality = 1.00: HG LEU 45 + HA ALA 46 OK 99 99 100 100 5.9-6.3 275/3.0=97, ~276=64...(10) HB2 LEU 45 + HA ALA 46 OK 69 70 100 100 3.8-4.0 ~274=75, 273/3.0=68...(10) HB3 LYS 43 + HA ALA 46 OK 56 81 70 99 6.5-7.2 ~8085=74, ~8086=71...(5) HB2 LYS 49 - HA ALA 46 far 4 87 5 - 6.9-9.5 HB3 LYS 44 - HA ALA 46 far 0 61 0 - 7.4-8.4 HB2 LYS 73 - HA ALA 46 far 0 96 0 - 8.4-12.3 HB3 LYS 73 - HA ALA 46 far 0 97 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 9455 from cnoeabs.peaks (0.83, 4.25, 53.67 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.68: QD2 LEU 74 + HA ALA 46 OK 45 94 85 56 3.5-5.4 2.1/11375=34, ~9461=26 QD1 LEU 74 + HA ALA 46 OK 42 90 85 56 3.4-6.0 11375=35, ~9461=21, 9461/2.1=12 QG2 ILE 71 - HA ALA 46 far 0 90 0 - 7.3-9.8 Violated in 11 structures by 0.13 A. Peak 9457 from cnoeabs.peaks (2.49, 1.55, 18.88 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.91: HG3 GLU 47 + QB ALA 46 OK 91 92 100 99 3.3-3.9 11239=88, 1.8/11240=77...(4) Violated in 0 structures by 0.00 A. Peak 9458 from cnoeabs.peaks (2.29, 1.55, 18.88 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 47 + QB ALA 46 OK 100 100 100 100 3.0-4.2 11240=100, 1.8/11239=91...(4) Violated in 0 structures by 0.00 A. Peak 9459 from cnoeabs.peaks (2.08, 1.55, 18.88 ppm; 5.67 A): 0 out of 1 assignment used, quality = 0.00: HB3 GLU 69 - QB ALA 46 far 0 87 0 - 9.9-12.1 Violated in 20 structures by 5.30 A. Peak 9461 from cnoeabs.peaks (0.81, 1.55, 18.88 ppm; 3.21 A): 2 out of 3 assignments used, quality = 0.55: QD1 LEU 74 + QB ALA 46 OK 37 92 100 40 2.2-4.6 11375/2.1=21, ~9455=15 QD2 LEU 74 + QB ALA 46 OK 29 87 100 34 2.0-4.2 ~11375=15, ~9455=14...(4) QG2 ILE 71 - QB ALA 46 far 0 92 0 - 5.8-8.3 Violated in 2 structures by 0.01 A. Peak 9465 from cnoeabs.peaks (4.43, 1.13, 31.45 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.89: HA TYR 27 + HB3 LYS 53 OK 89 99 90 100 2.6-6.9 11226=99, 11225/1.8=76 Violated in 8 structures by 0.30 A. Peak 9469 from cnoeabs.peaks (0.65, 1.27, 28.78 ppm; 4.54 A): 1 out of 8 assignments used, quality = 0.55: QD1 LEU 4 + HD2 LYS 2 OK 55 92 95 63 2.0-6.3 11235=38, 4631/4626=15...(7) QD1 ILE 54 - HD2 LYS 2 poor 8 82 35 28 4.0-9.7 4.8/321=6, 3.1/9470=5...(9) QD1 LEU 4 - HD3 LYS 53 far 5 100 5 - 6.0-9.8 QD1 ILE 71 - HD2 LYS 2 far 0 84 0 - 6.7-10.0 QD1 ILE 54 - HD3 LYS 53 far 0 92 0 - 6.8-9.2 QD1 ILE 56 - HD2 LYS 2 far 0 63 0 - 6.9-9.9 QG1 VAL 22 - HD3 LYS 53 far 0 97 0 - 6.9-10.9 QD1 ILE 56 - HD3 LYS 53 far 0 73 0 - 9.2-12.9 Violated in 4 structures by 0.13 A. Peak 9470 from cnoeabs.peaks (0.74, 1.27, 28.78 ppm; 4.57 A): 2 out of 13 assignments used, quality = 0.74: QD1 LEU 45 + HD2 LYS 2 OK 50 60 100 83 2.0-4.9 ~9437=41, 11504/3.0=34...(8) QD2 LEU 45 + HD2 LYS 2 OK 49 76 70 91 2.9-7.0 9437/3.0=51...(9) QG2 VAL 78 - HD2 LYS 2 poor 15 76 20 - 4.7-8.5 QG2 ILE 54 - HD2 LYS 2 poor 9 84 25 43 5.0-9.9 4389/9469=18, 3.1/9469=8...(9) QG2 ILE 54 - HD3 LYS 53 far 0 94 0 - 6.9-8.9 QD2 LEU 55 - HD3 LYS 53 far 0 100 0 - 7.1-10.3 QD1 LEU 45 - HD3 LYS 53 far 0 70 0 - 8.0-11.7 QD2 LEU 6 - HD2 LYS 2 far 0 93 0 - 8.3-12.2 QG1 VAL 117 - HD3 LYS 53 far 0 73 0 - 8.4-12.5 QG2 VAL 78 - HD3 LYS 53 far 0 87 0 - 8.8-10.3 QD2 LEU 45 - HD3 LYS 53 far 0 87 0 - 8.9-11.7 QD2 LEU 55 - HD2 LYS 2 far 0 93 0 - 9.3-13.3 QG2 ILE 18 - HD3 LYS 53 far 0 61 0 - 9.6-13.1 Violated in 3 structures by 0.01 A. Peak 9471 from cnoeabs.peaks (7.11, 1.09, 24.59 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: QD PHE 51 - HG2 LYS 53 far 13 87 15 - 4.9-9.9 QE PHE 79 - HG2 LYS 53 far 8 77 10 - 6.8-12.4 Violated in 17 structures by 1.41 A. Peak 9473 from cnoeabs.peaks (7.12, 1.48, 28.78 ppm; 5.80 A): 0 out of 1 assignment used, quality = 0.00: QD PHE 51 - HD2 LYS 53 poor 20 100 20 - 3.5-11.6 Violated in 19 structures by 3.21 A. Peak 9475 from cnoeabs.peaks (6.58, 1.48, 28.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 27 + HD2 LYS 53 OK 98 98 100 100 2.4-4.9 4593/1.8=98, 9223=91...(8) Violated in 0 structures by 0.00 A. Peak 9476 from cnoeabs.peaks (7.13, 1.27, 28.78 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: QD PHE 51 - HD2 LYS 2 lone 18 90 100 20 2.3-7.3 9448/9470=18 QD PHE 51 - HD3 LYS 53 far 15 99 15 - 4.1-11.8 Violated in 4 structures by 0.06 A. Peak 9478 from cnoeabs.peaks (6.69, 1.27, 28.78 ppm; 6.20 A): 0 out of 0 assignments used, 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 = 0.89: QE TYR 27 + HD3 LYS 53 OK 89 90 100 100 2.3-3.9 4593=86, 9475/1.8=66...(9) QE TYR 27 - HD2 LYS 2 far 4 79 5 - 6.4-11.6 Violated in 0 structures by 0.00 A. Peak 9484 from cnoeabs.peaks (6.99, 0.64, 13.41 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.78: HZ PHE 79 + QD1 ILE 5 OK 78 78 100 100 4.2-6.6 4665/10620=82...(10) QD TYR 102 - QD1 ILE 5 poor 10 76 50 26 7.3-9.6 11591/4649=16, 9875/5413=10 Violated in 2 structures by 0.03 A. Peak 9486 from cnoeabs.peaks (5.45, 1.68, 41.95 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.89: HA LEU 4 + HB ILE 54 OK 89 94 95 99 3.6-6.4 3.8/10735=63...(13) Violated in 3 structures by 0.13 A. Peak 9488 from cnoeabs.peaks (4.72, 0.75, 17.84 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.65: HA ARG 30 + QG2 ILE 54 OK 65 70 100 93 4.4-6.2 9495/4407=69...(6) Violated in 19 structures by 0.55 A. Peak 9489 from cnoeabs.peaks (5.04, 0.75, 17.84 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.92: HA ILE 56 + QG2 ILE 54 OK 80 81 100 99 3.7-4.3 4.0/11708=70...(12) HA VAL 29 + QG2 ILE 54 OK 60 100 100 60 4.0-5.9 9513/4424=17...(9) Violated in 0 structures by 0.00 A. Peak 9490 from cnoeabs.peaks (5.46, 0.75, 17.84 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 4 + QG2 ILE 54 OK 100 100 100 100 3.6-6.1 9486/2.1=94, 9485/4.0=88...(14) Violated in 0 structures by 0.00 A. Peak 9491 from cnoeabs.peaks (5.63, 0.75, 17.84 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.90: HA LEU 55 + QG2 ILE 54 OK 90 90 100 100 3.3-3.7 3.0/7565=100...(15) Violated in 0 structures by 0.00 A. Peak 9492 from cnoeabs.peaks (6.73, 0.75, 17.84 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.35: QE TYR 76 + QG2 ILE 54 OK 35 90 75 52 6.1-9.2 4631/4389=24...(7) QD PHE 79 - QG2 ILE 54 far 0 98 0 - 8.4-10.0 Violated in 19 structures by 0.97 A. Peak 9494 from cnoeabs.peaks (8.35, 0.75, 17.84 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.86: H GLN 28 + QG2 ILE 54 OK 86 87 100 99 2.8-5.9 9232/3.2=72...(5) H PHE 51 - QG2 ILE 54 far 5 94 5 - 5.3-10.7 Violated in 1 structures by 0.03 A. Peak 9495 from cnoeabs.peaks (4.72, 0.64, 13.41 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.31: HA ARG 30 + QD1 ILE 54 OK 31 73 45 94 4.9-6.8 3.9/11330=69...(5) HA ASN 24 - QD1 ILE 5 far 0 72 0 - 9.6-12.9 HA ARG 30 - QD1 ILE 5 far 0 50 0 - 10.0-12.5 Violated in 20 structures by 1.50 A. Peak 9496 from cnoeabs.peaks (5.45, 0.64, 13.41 ppm; 5.88 A): 2 out of 2 assignments used, quality = 0.96: HA LEU 4 + QD1 ILE 54 OK 88 94 95 99 5.7-7.7 9486/4406=87...(6) HA LEU 4 + QD1 ILE 5 OK 63 69 100 92 3.0-5.4 9/5.0=75, 10662/9009=24...(8) Violated in 0 structures by 0.00 A. Peak 9497 from cnoeabs.peaks (2.95, 0.64, 13.41 ppm; 6.20 A): 0 out of 4 assignments used, quality = 0.00: HD3 ARG 118 - QD1 ILE 5 far 2 44 5 - 7.0-10.9 HB3 PHE 51 - QD1 ILE 54 lone 0 81 25 2 5.4-9.7 HB2 ASN 24 - QD1 ILE 5 far 0 56 0 - 8.2-13.4 HB3 ASN 24 - QD1 ILE 5 far 0 56 0 - 9.1-13.1 Violated in 19 structures by 1.27 A. Peak 9498 from cnoeabs.peaks (2.92, 0.75, 17.84 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.95: HD3 ARG 30 + QG2 ILE 54 OK 95 96 100 100 2.2-5.4 9263=83, 9264/4407=56...(9) HE3 LYS 44 - QG2 ILE 54 far 15 99 15 - 4.6-9.9 HE2 LYS 44 - QG2 ILE 54 far 5 99 5 - 6.0-10.3 Violated in 1 structures by 0.03 A. Peak 9499 from cnoeabs.peaks (2.06, 0.64, 13.41 ppm; 3.76 A): 3 out of 11 assignments used, quality = 0.93: HB2 GLN 28 + QD1 ILE 54 OK 84 98 100 86 2.0-4.3 1.8/11481=52...(6) HB3 PHE 79 + QD1 ILE 5 OK 39 41 95 99 3.1-5.3 1.8/10740=39...(22) HG3 GLU 52 + QD1 ILE 54 OK 26 87 40 76 2.9-6.8 3.0/11545=59...(4) HB VAL 117 - QD1 ILE 5 far 10 69 15 - 4.3-7.3 HB3 GLU 48 - QD1 ILE 54 far 0 73 0 - 5.8-10.6 HB2 GLU 48 - QD1 ILE 54 far 0 73 0 - 6.0-11.0 HB2 GLN 28 - QD1 ILE 5 far 0 74 0 - 7.7-10.7 HB3 MET 67 - QD1 ILE 54 far 0 97 0 - 8.7-11.9 HG3 GLU 52 - QD1 ILE 5 far 0 62 0 - 8.9-12.0 HB2 GLU 47 - QD1 ILE 54 far 0 100 0 - 9.7-11.8 HB3 MET 67 - QD1 ILE 5 far 0 72 0 - 9.7-11.9 Violated in 1 structures by 0.01 A. Peak 9501 from cnoeabs.peaks (1.65, 5.64, 53.50 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.99: HB ILE 5 + HA LEU 55 OK 99 100 100 99 3.1-4.2 9058=88, 10939/4.0=61...(7) HB2 ARG 30 - HA LEU 55 poor 20 99 20 - 5.5-7.9 HB2 GLU 52 - HA LEU 55 far 0 97 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 9502 from cnoeabs.peaks (0.89, 1.76, 45.20 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.81: QG2 VAL 29 + HB2 LEU 55 OK 81 96 100 85 3.1-4.5 11140/1357=41...(8) Violated in 8 structures by 0.08 A. Peak 9503 from cnoeabs.peaks (0.86, 1.32, 45.20 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.93: QG2 VAL 22 + HB3 LEU 55 OK 88 92 100 95 3.1-5.1 2.1/10866=46...(12) HG13 ILE 5 + HB3 LEU 55 OK 47 65 80 90 3.9-6.2 ~10939=26, ~9501=25...(18) HG13 ILE 57 - HB3 LEU 55 far 0 99 0 - 5.7-7.3 QG2 VAL 117 - HB3 LEU 55 far 0 100 0 - 7.5-9.0 QG2 ILE 15 - HB3 LEU 55 far 0 70 0 - 7.7-9.6 QG2 THR 9 - HB3 LEU 55 far 0 100 0 - 9.5-10.6 Violated in 6 structures by 0.08 A. Peak 9504 from cnoeabs.peaks (3.68, 0.74, 26.63 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.64: HA LYS 19 + QD2 LEU 55 OK 64 100 100 64 3.0-5.5 10859/11118=38...(5) Violated in 3 structures by 0.10 A. Peak 9509 from cnoeabs.peaks (5.05, 5.64, 53.50 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 56 + HA LEU 55 OK 100 100 100 100 4.4-4.4 3.0/332=100, 3.0/9537=84...(9) HA VAL 29 + HA LEU 55 OK 88 90 100 99 4.6-5.9 ~9502=67, ~11140=63...(9) Violated in 0 structures by 0.00 A. Peak 9513 from cnoeabs.peaks (5.03, 1.76, 45.20 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.86: HA VAL 29 + HB2 LEU 55 OK 86 90 100 96 2.1-3.6 3.2/9502=81, 9516/1.8=34...(12) Violated in 0 structures by 0.00 A. Peak 9514 from cnoeabs.peaks (4.86, 1.76, 45.20 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.65: HA ILE 54 + HB2 LEU 55 OK 65 65 100 100 4.3-5.0 3.6/1357=97, ~9491=47...(8) Violated in 0 structures by 0.00 A. Peak 9515 from cnoeabs.peaks (6.79, 1.76, 45.20 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 27 + HB2 LEU 55 OK 100 100 100 100 3.3-5.2 4583/1.8=100...(7) QD PHE 120 - HB2 LEU 55 far 0 100 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 9516 from cnoeabs.peaks (5.04, 1.32, 45.20 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 29 + HB3 LEU 55 OK 97 100 100 97 3.7-5.2 9513/1.8=63, ~9502=56...(12) HA ILE 56 + HB3 LEU 55 OK 80 81 100 100 5.7-5.9 ~332=47, ~7569=45...(18) Violated in 1 structures by 0.00 A. Peak 9517 from cnoeabs.peaks (6.78, 1.32, 45.20 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 27 + HB3 LEU 55 OK 98 98 100 100 1.9-3.9 4583=96, 4587/3.1=78...(11) QD PHE 120 - HB3 LEU 55 far 0 96 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 9520 from cnoeabs.peaks (9.08, 1.57, 27.37 ppm; 5.82 A): 1 out of 3 assignments used, quality = 0.97: H LEU 4 + HG12 ILE 3 OK 97 97 100 100 4.6-5.1 4/3.2=97, 2/3.8=97...(7) H LEU 4 - HG LEU 55 far 0 100 0 - 7.5-10.2 H LEU 81 - HG LEU 55 far 0 73 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 9521 from cnoeabs.peaks (5.05, 0.74, 26.63 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.99: HA ILE 56 + QD2 LEU 55 OK 95 96 100 99 3.3-5.7 3.0/7574=65, ~335=47...(16) HA VAL 29 + QD2 LEU 55 OK 89 98 100 91 2.0-4.9 ~9502=35, 9516/3.1=31...(14) Violated in 0 structures by 0.00 A. Peak 9522 from cnoeabs.peaks (6.79, 0.74, 26.63 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 27 + QD2 LEU 55 OK 99 99 100 100 1.9-4.6 4583/3.1=96, 4587=87...(15) QD PHE 120 + QD2 LEU 55 OK 68 100 95 72 5.5-8.0 9523/2.1=30...(7) Violated in 0 structures by 0.00 A. Peak 9523 from cnoeabs.peaks (6.79, 0.68, 26.27 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.99: QD TYR 27 + QD1 LEU 55 OK 99 99 100 100 2.0-5.6 4587/2.1=90, 4583/3.1=77...(12) QD PHE 120 + QD1 LEU 55 OK 47 100 85 56 4.5-7.3 4707/11139=37...(5) QD TYR 27 - QD2 LEU 4 poor 11 53 45 47 4.8-8.4 9480/11714=28...(4) QD PHE 120 - QD2 LEU 4 far 0 55 0 - 8.9-10.1 Violated in 1 structures by 0.03 A. Peak 9525 from cnoeabs.peaks (8.77, 5.64, 53.50 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 5 + HA LEU 55 OK 100 100 100 100 2.4-3.4 9057=96, 3.9/9501=57...(9) H VAL 29 - HA LEU 55 far 0 90 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 9527 from cnoeabs.peaks (8.78, 0.74, 26.63 ppm; 5.66 A): 3 out of 4 assignments used, quality = 0.98: H VAL 29 + QD2 LEU 55 OK 89 99 100 90 4.2-6.9 ~9513=50, 3.0/9521=42...(7) H ILE 5 + QD2 LEU 55 OK 75 77 100 98 2.7-6.1 9529/7574=63...(10) H ILE 18 + QD2 LEU 55 OK 40 99 85 48 5.7-8.0 102/9528=33...(3) H ASN 59 - QD2 LEU 55 far 0 81 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 9528 from cnoeabs.peaks (8.53, 0.74, 26.63 ppm; 5.91 A): 2 out of 2 assignments used, quality = 1.00: H LYS 19 + QD2 LEU 55 OK 97 100 100 97 4.6-6.8 3.0/9504=93...(8) H ILE 57 + QD2 LEU 55 OK 85 90 100 95 4.0-6.3 4.6/7574=73, 3.6/9521=44...(7) Violated in 0 structures by 0.00 A. Peak 9532 from cnoeabs.peaks (8.94, 1.69, 39.82 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.86: H ILE 7 + HB ILE 56 OK 86 87 100 99 3.9-6.9 3.6/9536=84...(4) Violated in 1 structures by 0.05 A. Peak 9534 from cnoeabs.peaks (8.43, 0.69, 17.09 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.87: H VAL 32 + QG2 ILE 56 OK 87 96 95 96 3.7-7.2 10677=70, 11348/7577=62...(6) H ILE 3 - QG2 ILE 56 far 0 90 0 - 7.8-11.5 H GLN 62 - QG2 ILE 56 far 0 100 0 - 9.2-11.7 Violated in 1 structures by 0.12 A. Peak 9536 from cnoeabs.peaks (5.34, 1.69, 39.82 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 6 + HB ILE 56 OK 96 99 100 97 2.7-5.6 9535/1364=68, 10950=68...(5) Violated in 1 structures by 0.04 A. Peak 9537 from cnoeabs.peaks (5.64, 1.69, 39.82 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 55 + HB ILE 56 OK 99 100 100 99 4.5-4.8 332/1364=96, 4416/2.1=32...(8) Violated in 0 structures by 0.00 A. Peak 9543 from cnoeabs.peaks (2.93, 0.66, 12.57 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.95: HD3 ARG 30 + QD1 ILE 56 OK 95 100 95 100 3.5-8.0 3.6/9550=95...(6) HE2 LYS 44 - QD1 ILE 56 lone 1 100 50 2 5.7-12.3 HE3 LYS 44 - QD1 ILE 56 lone 1 100 45 2 5.6-11.3 Violated in 1 structures by 0.09 A. Peak 9547 from cnoeabs.peaks (1.86, 0.66, 12.57 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.87: QE MET 42 + QD1 ILE 56 OK 76 98 100 78 2.6-4.8 11532/2.1=46, 9432=32...(11) QE MET 67 + QD1 ILE 56 OK 43 57 100 76 3.2-4.5 9726=46, 10946/4473=29...(8) HB2 LEU 63 - QD1 ILE 56 far 0 90 0 - 5.9-9.5 HG LEU 70 - QD1 ILE 56 far 0 87 0 - 9.4-11.1 Violated in 3 structures by 0.02 A. Peak 9548 from cnoeabs.peaks (2.11, 0.66, 12.57 ppm; 6.20 A): 0 out of 4 assignments used, quality = 0.00: HB2 LEU 38 - QD1 ILE 56 lone 14 99 75 19 6.9-8.0 ~4472=15, 9302/11707=1 HG2 GLU 52 - QD1 ILE 56 far 9 92 10 - 4.5-13.2 HB3 GLU 66 - QD1 ILE 56 far 0 70 0 - 7.8-11.9 HB3 GLU 47 - QD1 ILE 56 far 0 100 0 - 9.8-14.1 Violated in 19 structures by 0.74 A. Peak 9549 from cnoeabs.peaks (2.44, 0.66, 12.57 ppm; 5.67 A): 0 out of 1 assignment used, quality = 0.00: HG2 GLU 37 - QD1 ILE 56 far 5 98 5 - 6.3-9.8 Violated in 20 structures by 2.80 A. Peak 9550 from cnoeabs.peaks (1.52, 0.66, 12.57 ppm; 3.94 A): 1 out of 7 assignments used, quality = 0.92: HB3 ARG 30 + QD1 ILE 56 OK 92 94 100 98 1.8-4.9 2.8/10927=49...(12) HG LEU 6 - QD1 ILE 56 far 5 100 5 - 3.6-7.9 HB2 LEU 6 - QD1 ILE 56 far 4 77 5 - 3.9-7.4 HG LEU 38 - QD1 ILE 56 far 0 100 0 - 6.7-7.8 HG2 LYS 43 - QD1 ILE 56 far 0 92 0 - 8.9-10.6 QB ALA 124 - QD1 ILE 56 far 0 61 0 - 8.9-10.2 HB2 LYS 61 - QD1 ILE 56 far 0 98 0 - 9.9-14.2 Violated in 1 structures by 0.05 A. Peak 9551 from cnoeabs.peaks (1.54, 0.96, 27.65 ppm; 3.84 A): 0 out of 2 assignments used, quality = 0.00: HB VAL 78 - HG13 ILE 56 far 0 73 0 - 8.0-10.0 QB ALA 46 - HG13 ILE 56 far 0 94 0 - 9.7-12.8 Violated in 20 structures by 4.39 A. Peak 9554 from cnoeabs.peaks (2.47, 1.82, 38.95 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 31 + HB ILE 57 OK 100 100 100 100 2.3-6.1 3.0/9270=98, 4.5/9577=70...(13) HB2 ASP 31 + HB ILE 57 OK 100 100 100 100 2.3-5.6 3.0/9270=98, 4.5/9577=70...(12) HG3 GLU 41 - HB ILE 57 far 5 94 5 - 7.4-11.1 Violated in 0 structures by 0.00 A. Peak 9555 from cnoeabs.peaks (1.58, 0.71, 13.94 ppm; 3.64 A): 4 out of 5 assignments used, quality = 0.98: HD2 LYS 19 + QD1 ILE 57 OK 71 90 95 84 1.9-5.3 3.0/9558=26, 3.0/9558=26...(15) HD3 LYS 19 + QD1 ILE 57 OK 71 90 95 83 2.7-5.5 3.0/9558=26, 3.0/9558=26...(15) HG3 LYS 19 + QD1 ILE 57 OK 69 84 100 82 1.9-4.4 4.0/9558=20, 4.0/9558=20...(14) HG LEU 55 + QD1 ILE 57 OK 25 70 85 42 2.8-6.9 ~11136=19, ~11138=8...(8) HG LEU 68 - QD1 ILE 57 far 0 99 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 9556 from cnoeabs.peaks (1.92, 0.71, 13.94 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.48: HB ILE 15 + QD1 ILE 57 OK 48 99 55 88 4.0-7.0 3.0/9559=49, 2.1/4533=26...(12) HB3 LYS 17 - QD1 ILE 57 far 0 100 0 - 6.9-9.0 HB2 LEU 81 - QD1 ILE 57 far 0 100 0 - 7.4-9.7 HG2 MET 121 - QD1 ILE 57 far 0 100 0 - 8.6-10.8 Violated in 20 structures by 1.22 A. Peak 9557 from cnoeabs.peaks (2.45, 0.71, 13.94 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.94: HB2 ASP 31 + QD1 ILE 57 OK 77 77 100 100 1.9-5.1 3.0/9573=89, ~9270=63...(11) HB3 ASP 31 + QD1 ILE 57 OK 73 73 100 100 2.2-4.9 3.0/9573=89, ~9270=63...(11) HG3 GLU 41 - QD1 ILE 57 far 0 97 0 - 7.9-10.8 HG2 GLU 37 - QD1 ILE 57 far 0 92 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 9558 from cnoeabs.peaks (2.69, 0.71, 13.94 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.99: HE3 LYS 19 + QD1 ILE 57 OK 88 96 100 92 2.0-4.1 11033=39, 1.8/11033=32...(17) HE2 LYS 19 + QD1 ILE 57 OK 88 96 100 92 2.0-4.7 11033=39, 1.8/11033=32...(17) HB3 ASN 33 - QD1 ILE 57 far 0 100 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 9559 from cnoeabs.peaks (3.21, 0.71, 13.94 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.94: HA ILE 15 + QD1 ILE 57 OK 94 97 100 97 3.1-5.6 3.0/9556=73, 10773=48...(12) HB2 PHE 120 - QD1 ILE 57 far 0 98 0 - 9.0-11.6 Violated in 1 structures by 0.05 A. Peak 9560 from cnoeabs.peaks (3.67, 0.71, 13.94 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.86: HA LYS 19 + QD1 ILE 57 OK 86 87 100 99 2.9-4.8 3.6/9203=62, 3.0/4530=45...(15) Violated in 0 structures by 0.00 A. Peak 9561 from cnoeabs.peaks (4.78, 0.71, 13.94 ppm; 5.58 A): 0 out of 0 assignments used, quality = 0.00: Peak 9563 from cnoeabs.peaks (2.06, 0.86, 27.65 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.64: HB VAL 117 + HG13 ILE 5 OK 45 59 80 95 5.9-8.4 10943/3.2=51, ~10938=39...(10) HB3 PHE 79 + HG13 ILE 5 OK 35 35 100 100 4.2-7.6 ~10740=92, ~4645=87...(21) HB2 GLN 28 - HG13 ILE 5 far 3 64 5 - 7.5-11.7 HB2 GLN 28 - HG13 ILE 57 lone 2 98 25 9 7.2-10.1 4.6/2430=7 HB VAL 117 - HG13 ILE 57 far 0 94 0 - 8.7-11.3 HG3 GLU 52 - HG13 ILE 5 far 0 53 0 - 9.4-13.3 HB3 MET 67 - HG13 ILE 57 far 0 97 0 - 10.0-11.6 Violated in 6 structures by 0.12 A. Peak 9564 from cnoeabs.peaks (2.67, 0.84, 17.77 ppm; 5.83 A): 0 out of 4 assignments used, quality = 0.00: HB2 TYR 27 - QG2 ILE 57 far 4 87 5 - 7.1-10.8 HB3 ASN 33 - QG2 ILE 57 far 4 81 5 - 7.2-10.3 HE2 LYS 61 - QG2 ILE 57 far 0 90 0 - 9.3-14.7 HE3 LYS 61 - QG2 ILE 57 far 0 100 0 - 9.5-14.5 Violated in 20 structures by 1.89 A. Peak 9566 from cnoeabs.peaks (5.04, 0.84, 17.77 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.90: HA ILE 56 + QG2 ILE 57 OK 76 81 100 94 4.2-5.4 339/4.0=64, 9572/3.0=31...(11) HA VAL 29 + QG2 ILE 57 OK 60 100 90 67 4.6-6.7 9572/3.0=34, 9568/2.1=18...(6) Violated in 16 structures by 0.13 A. Peak 9567 from cnoeabs.peaks (5.20, 0.84, 17.77 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.96: HA ASP 31 + QG2 ILE 57 OK 93 94 100 99 3.5-5.0 9270/2.1=79, 9570/4.0=62...(11) HA ILE 7 + QG2 ILE 57 OK 47 57 90 91 4.3-6.6 ~9078=32, ~9080=30...(16) Violated in 0 structures by 0.00 A. Peak 9568 from cnoeabs.peaks (5.05, 1.82, 38.95 ppm; 5.67 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 56 + HB ILE 57 OK 100 100 100 100 4.5-5.6 339/1371=99, 9575/2.9=57...(10) HA VAL 29 + HB ILE 57 OK 69 90 95 81 5.4-7.3 9575/2.9=34, 9572/3.2=33...(6) Violated in 0 structures by 0.00 A. Peak 9569 from cnoeabs.peaks (5.21, 1.82, 38.95 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 31 + HB ILE 57 OK 100 100 100 100 2.0-4.1 9270=100, 9570/1371=66...(11) Violated in 0 structures by 0.00 A. Peak 9572 from cnoeabs.peaks (5.04, 0.71, 13.94 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.96: HA VAL 29 + QD1 ILE 57 OK 84 100 100 84 2.7-4.6 3.6/11362=49...(6) HA ILE 56 + QD1 ILE 57 OK 77 81 100 95 2.8-5.0 339/4.9=53, 9566/3.0=37...(10) Violated in 0 structures by 0.00 A. Peak 9573 from cnoeabs.peaks (5.21, 0.71, 13.94 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 31 + QD1 ILE 57 OK 100 100 100 100 1.9-4.4 9270/3.2=80, 9570/4.9=63...(11) Violated in 0 structures by 0.00 A. Peak 9574 from cnoeabs.peaks (6.91, 0.71, 13.94 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9575 from cnoeabs.peaks (5.06, 1.46, 27.65 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.98: HA ILE 56 + HG12 ILE 57 OK 96 100 100 96 3.0-4.5 339/1373=74, 4456/2.1=28...(12) HA VAL 29 + HG12 ILE 57 OK 58 81 100 72 3.7-5.3 3.6/1196=27, 9572/2.1=20...(9) Violated in 0 structures by 0.00 A. Peak 9577 from cnoeabs.peaks (8.44, 1.82, 38.95 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: H VAL 32 + HB ILE 57 OK 100 100 100 100 3.2-5.1 179/9270=90...(8) H ASN 10 - HB ILE 57 far 0 100 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 9578 from cnoeabs.peaks (8.43, 0.84, 17.77 ppm; 6.14 A): 2 out of 4 assignments used, quality = 0.98: H VAL 32 + QG2 ILE 57 OK 95 96 100 100 4.1-5.9 9577/2.1=90...(7) H ASN 10 + QG2 ILE 57 OK 48 97 65 76 7.0-8.3 4.6/9579=73, 9129/2716=9 H GLN 83 - QG2 ILE 57 far 0 99 0 - 7.7-9.7 H GLN 62 - QG2 ILE 57 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 9579 from cnoeabs.peaks (8.04, 0.84, 17.77 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.73: H THR 9 + QG2 ILE 57 OK 73 100 100 73 3.8-5.2 9585/348=66, 4.6/9578=12...(4) H VAL 22 - QG2 ILE 57 far 0 99 0 - 6.9-9.6 H ARG 118 - QG2 ILE 57 far 0 73 0 - 8.5-11.3 H LYS 65 - QG2 ILE 57 far 0 99 0 - 9.1-10.4 Violated in 3 structures by 0.02 A. Peak 9581 from cnoeabs.peaks (8.93, 0.71, 13.94 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.90: H ILE 7 + QD1 ILE 57 OK 90 100 100 90 4.4-6.5 9078/4.2=69...(6) Violated in 16 structures by 0.31 A. Peak 9582 from cnoeabs.peaks (7.85, 3.42, 66.61 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.90: H ASP 60 + HB3 SER 58 OK 90 90 100 100 2.3-4.7 9632/1.8=86, 9633=86...(9) H LYS 39 - HB3 SER 58 far 0 70 0 - 8.5-10.3 HE21 GLN 62 - HB3 SER 58 far 0 100 0 - 8.6-11.9 Violated in 0 structures by 0.00 A. Peak 9583 from cnoeabs.peaks (7.86, 3.78, 66.61 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.99: H ASP 60 + HB2 SER 58 OK 99 99 100 100 3.2-4.0 9632=98, 9630/2.8=91...(10) HE21 GLN 62 - HB2 SER 58 far 0 77 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 9584 from cnoeabs.peaks (8.42, 5.01, 56.73 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.47: H VAL 32 + HA SER 58 OK 47 61 100 76 2.6-3.7 9285=51, 3.9/11680=24...(6) H GLN 62 - HA SER 58 far 0 87 0 - 8.3-9.1 H ASN 10 - HA SER 58 far 0 65 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.8 2.8=100 Violated in 0 structures by 0.00 A. 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 90 100 100 2.1-2.7 2.8=100 Violated in 0 structures by 0.00 A. Peak 9593 from cnoeabs.peaks (5.90, 3.42, 66.61 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.93: HA ASN 8 + HB3 SER 58 OK 93 100 100 93 4.9-6.3 9589/4.0=87...(3) Violated in 2 structures by 0.01 A. Peak 9596 from cnoeabs.peaks (1.87, 3.78, 66.61 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.98: HB2 LEU 63 + HB2 SER 58 OK 91 99 100 92 3.2-4.1 3.1/11547=49...(10) QE MET 67 + HB2 SER 58 OK 79 81 100 99 2.9-4.0 9728=69, 9727/1.8=65...(12) QE MET 42 - HB2 SER 58 far 0 100 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 9597 from cnoeabs.peaks (1.77, 3.78, 66.61 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: HB VAL 32 + HB2 SER 58 OK 99 100 100 99 3.3-5.2 9602/1.8=59...(11) HB2 LEU 64 + HB2 SER 58 OK 71 73 100 96 2.3-5.7 ~10438=50, 3.1/9599=44...(11) Violated in 0 structures by 0.00 A. Peak 9598 from cnoeabs.peaks (1.63, 3.78, 66.61 ppm; 5.58 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 64 + HB2 SER 58 OK 99 100 100 99 2.8-5.2 ~10438=67, 3.1/9599=54...(12) HG LEU 64 + HB2 SER 58 OK 87 92 95 100 4.4-7.9 ~10438=80, 2.1/9599=60...(9) HG LEU 63 + HB2 SER 58 OK 86 87 100 100 5.3-6.5 2.1/11547=84, ~11558=53...(10) HB2 LEU 82 - HB2 SER 58 far 0 90 0 - 7.7-13.6 HD3 LYS 65 - HB2 SER 58 far 0 61 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 9599 from cnoeabs.peaks (0.80, 3.78, 66.61 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.71: QD1 LEU 64 + HB2 SER 58 OK 55 84 70 94 3.9-6.4 10438/1.8=77, ~11268=28...(9) QD2 LEU 64 + HB2 SER 58 OK 35 65 65 83 4.3-6.3 ~10438=52, 3.1/11266=24...(7) QG1 VAL 29 - HB2 SER 58 far 0 100 0 - 8.9-10.2 QG2 ILE 71 - HB2 SER 58 far 0 73 0 - 9.1-11.6 Violated in 14 structures by 0.27 A. Peak 9600 from cnoeabs.peaks (0.72, 3.78, 66.61 ppm; 4.34 A): 3 out of 9 assignments used, quality = 0.98: QD2 LEU 63 + HB2 SER 58 OK 84 90 100 94 4.8-5.7 11547=52, ~11558=33...(11) QD1 LEU 6 + HB2 SER 58 OK 74 99 100 75 3.0-5.6 11562=42, 9605/1.8=18...(9) QD2 LEU 6 + HB2 SER 58 OK 49 77 100 63 4.2-5.8 2.1/11562=34, ~9605=15...(10) QD1 ILE 57 - HB2 SER 58 far 0 84 0 - 6.3-7.3 QD2 LEU 55 - HB2 SER 58 far 0 73 0 - 7.5-9.8 QG2 ILE 18 - HB2 SER 58 far 0 100 0 - 8.5-10.1 QD2 LEU 81 - HB2 SER 58 far 0 81 0 - 8.6-9.9 QG2 VAL 78 - HB2 SER 58 far 0 99 0 - 9.5-10.6 QG1 VAL 117 - HB2 SER 58 far 0 100 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 9601 from cnoeabs.peaks (1.87, 3.42, 66.61 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: QE MET 67 + HB3 SER 58 OK 94 94 100 100 2.0-4.5 9727=90, 9728/1.8=84...(9) HB2 LEU 63 + HB3 SER 58 OK 94 100 100 94 2.3-4.4 9596/1.8=42, ~11547=38...(11) QE MET 42 - HB3 SER 58 far 5 99 5 - 5.9-9.6 Violated in 0 structures by 0.00 A. Peak 9602 from cnoeabs.peaks (1.76, 3.42, 66.61 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.80: HB VAL 32 + HB3 SER 58 OK 80 81 100 99 2.6-4.6 2.1/9604=64, ~9290=52...(9) HB2 LEU 68 - HB3 SER 58 far 0 77 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 9603 from cnoeabs.peaks (1.63, 3.42, 66.61 ppm; 5.21 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 64 + HB3 SER 58 OK 99 100 100 99 3.7-6.6 3.1/10438=77, ~11268=37...(11) HG LEU 63 + HB3 SER 58 OK 96 97 100 99 4.6-6.5 ~11547=61, ~11558=47...(11) HG LEU 64 + HB3 SER 58 OK 46 77 60 99 5.3-7.6 2.1/10438=88, ~11268=44...(9) HB2 LEU 82 - HB3 SER 58 far 0 98 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.78, 3.42, 66.61 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.63: QG2 VAL 32 + HB3 SER 58 OK 52 70 80 94 3.8-5.9 2.1/9602=51, ~9287=29...(9) QD2 LEU 64 + HB3 SER 58 OK 23 100 25 92 4.3-7.4 2.1/10438=64...(9) QD2 LEU 80 - HB3 SER 58 far 0 99 0 - 6.0-11.4 QD1 ILE 15 - HB3 SER 58 far 0 73 0 - 6.2-7.8 QD1 ILE 7 - HB3 SER 58 far 0 84 0 - 6.7-9.3 QD1 LEU 80 - HB3 SER 58 far 0 99 0 - 7.5-10.8 QD1 LEU 82 - HB3 SER 58 far 0 100 0 - 9.5-11.3 Violated in 14 structures by 0.32 A. Peak 9605 from cnoeabs.peaks (0.71, 3.42, 66.61 ppm; 4.49 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 63 + HB3 SER 58 OK 96 100 100 96 3.9-5.6 11547/1.8=64, ~11558=35...(10) QD1 LEU 6 + HB3 SER 58 OK 72 98 100 73 3.2-5.0 11562/1.8=50, ~9600=13...(7) QG2 ILE 56 + HB3 SER 58 OK 68 77 100 88 3.3-5.7 11251=64, 10946/9727=28...(6) QD1 ILE 57 - HB3 SER 58 far 5 100 5 - 5.5-7.8 QG2 ILE 18 - HB3 SER 58 far 0 94 0 - 8.5-10.7 QD2 LEU 81 - HB3 SER 58 far 0 100 0 - 8.8-10.4 QG2 VAL 78 - HB3 SER 58 far 0 73 0 - 9.4-11.3 QG1 VAL 117 - HB3 SER 58 far 0 87 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 9606 from cnoeabs.peaks (1.84, 5.01, 56.73 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.77: HB ILE 57 + HA SER 58 OK 77 77 100 99 4.0-4.6 ~348=52, 2.1/9607=42...(16) HB2 LEU 14 - HA SER 58 far 0 77 0 - 9.4-11.1 HB ILE 18 - HA SER 58 far 0 70 0 - 9.6-11.0 Violated in 4 structures by 0.01 A. Peak 9607 from cnoeabs.peaks (0.84, 5.01, 56.73 ppm; 4.90 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 57 + HA SER 58 OK 100 100 100 100 3.3-5.1 348/3.0=93, 2.1/9606=83...(12) QG2 ILE 15 + HA SER 58 OK 30 98 100 30 4.9-6.2 4505/9606=15...(3) HG13 ILE 57 + HA SER 58 OK 26 65 40 100 5.9-6.7 2.9/9606=74, ~349=50...(11) QD2 LEU 82 - HA SER 58 far 0 73 0 - 8.3-12.0 QG2 ILE 5 - HA SER 58 far 0 100 0 - 9.6-11.0 QG2 VAL 22 - HA SER 58 far 0 84 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 9608 from cnoeabs.peaks (0.70, 5.01, 56.73 ppm; 5.14 A): 4 out of 6 assignments used, quality = 1.00: QD1 ILE 57 + HA SER 58 OK 94 94 100 100 4.1-6.1 3.2/9606=75, 7586/3.0=70...(12) QG2 ILE 56 + HA SER 58 OK 93 99 95 98 4.7-7.1 11251/3.0=76...(7) QD2 LEU 63 + HA SER 58 OK 80 90 95 94 5.2-6.6 11547/3.0=59...(10) QD1 LEU 6 + HA SER 58 OK 46 70 100 66 5.0-6.0 11562/3.0=30...(6) QD1 LEU 55 - HA SER 58 far 0 81 0 - 7.2-10.3 QD2 LEU 81 - HA SER 58 far 0 96 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 9621 from cnoeabs.peaks (0.75, 2.87, 38.96 ppm; 5.22 A): 2 out of 8 assignments used, quality = 0.84: QD1 LEU 63 + HB3 ASN 59 OK 70 87 100 80 5.0-6.7 9613/1383=55...(4) QD1 ILE 15 + HB3 ASN 59 OK 48 90 100 54 3.0-4.8 9176/3.5=42, 9617/3.5=20 QG2 ILE 7 - HB3 ASN 59 far 0 94 0 - 7.1-8.9 QG2 VAL 32 - HB3 ASN 59 far 0 92 0 - 7.7-9.9 QD2 LEU 14 - HB3 ASN 59 far 0 92 0 - 7.8-10.1 QD2 LEU 6 - HB3 ASN 59 far 0 65 0 - 9.1-11.2 QD1 ILE 7 - HB3 ASN 59 far 0 81 0 - 9.2-11.3 QD2 LEU 55 - HB3 ASN 59 far 0 70 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (7.67, 2.73, 42.95 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.99: H LEU 63 + HB2 ASP 60 OK 99 99 100 100 2.2-2.9 9628/1.8=79...(9) Violated in 0 structures by 0.00 A. Peak 9628 from cnoeabs.peaks (7.67, 2.57, 42.95 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: H LEU 63 + HB3 ASP 60 OK 100 100 100 100 2.7-4.1 9673/1.8=96, 9672=79...(8) Violated in 0 structures by 0.00 A. Peak 9638 from cnoeabs.peaks (1.86, 2.73, 42.95 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.90: HB2 LEU 63 + HB2 ASP 60 OK 90 90 100 100 2.0-3.7 3.1/9641=81, 1.8/9676=80...(17) QE MET 67 - HB2 ASP 60 poor 19 57 50 65 5.9-7.4 9721/9676=25...(6) QE MET 42 - HB2 ASP 60 far 0 98 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 9639 from cnoeabs.peaks (1.61, 2.73, 42.95 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.94: HG LEU 63 + HB2 ASP 60 OK 92 92 100 100 2.4-3.9 2.1/9641=90, 9679/1.8=73...(16) HB3 LEU 64 + HB2 ASP 60 OK 31 61 90 56 5.6-6.7 1412/9627=20...(5) Violated in 0 structures by 0.00 A. Peak 9640 from cnoeabs.peaks (1.42, 2.73, 42.95 ppm; 6.10 A): 2 out of 2 assignments used, quality = 0.94: HB3 LEU 63 + HB2 ASP 60 OK 90 90 100 100 3.7-5.3 3.1/9641=95, 1.8/9674=84...(17) HB3 LYS 61 + HB2 ASP 60 OK 46 70 100 66 4.8-6.1 4.6/11182=58...(3) Violated in 0 structures by 0.00 A. Peak 9641 from cnoeabs.peaks (0.73, 2.73, 42.95 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 63 + HB2 ASP 60 OK 92 92 100 100 2.2-3.7 9645/1.8=77...(19) QD1 LEU 6 - HB2 ASP 60 far 0 73 0 - 7.2-8.6 QD2 LEU 6 - HB2 ASP 60 far 0 99 0 - 8.0-9.7 QG2 ILE 7 - HB2 ASP 60 far 0 84 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9642 from cnoeabs.peaks (1.86, 2.57, 42.95 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.93: HB2 LEU 63 + HB3 ASP 60 OK 90 90 100 100 2.0-3.8 3.1/9645=87, 9674/1.8=77...(16) QE MET 67 + HB3 ASP 60 OK 34 57 90 65 5.0-7.2 9721/9644=26...(6) QE MET 42 - HB3 ASP 60 far 0 98 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 9643 from cnoeabs.peaks (1.62, 2.57, 42.95 ppm; 4.99 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 63 + HB3 ASP 60 OK 100 100 100 100 2.0-4.1 9679=91, 2.1/9645=90...(17) HB3 LEU 64 + HB3 ASP 60 OK 39 96 80 51 5.4-7.3 1412/9628=22...(4) Violated in 0 structures by 0.00 A. Peak 9644 from cnoeabs.peaks (1.43, 2.57, 42.95 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 63 + HB3 ASP 60 OK 99 99 100 100 3.5-5.3 3.1/9645=83, 9676/1.8=83...(16) HB3 LYS 61 - HB3 ASP 60 poor 14 100 70 20 6.3-7.2 9640/1.8=11, 9648/1389=9 HG12 ILE 56 - HB3 ASP 60 far 0 99 0 - 9.6-14.3 Violated in 1 structures by 0.00 A. Peak 9645 from cnoeabs.peaks (0.73, 2.57, 42.95 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 63 + HB3 ASP 60 OK 92 92 100 100 1.9-2.5 9641/1.8=76...(16) QD1 LEU 6 - HB3 ASP 60 far 0 73 0 - 7.1-8.4 QD2 LEU 6 - HB3 ASP 60 far 0 99 0 - 7.4-10.0 QG2 ILE 7 - HB3 ASP 60 far 0 84 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9652 from cnoeabs.peaks (0.80, 3.72, 59.63 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.76: QD1 LEU 64 + HA LYS 61 OK 62 65 100 95 1.9-4.7 3.1/8097=50, 9694=46...(8) QD2 LEU 64 + HA LYS 61 OK 36 84 45 96 1.8-5.7 2.1/9694=62, 3.1/8097=50...(8) QD1 LEU 82 - HA LYS 61 far 0 65 0 - 6.2-8.4 Violated in 4 structures by 0.01 A. Peak 9656 from cnoeabs.peaks (7.07, 3.72, 59.63 ppm; 5.94 A): 1 out of 1 assignment used, quality = 0.81: HZ PHE 93 + HA LYS 61 OK 81 84 100 96 3.1-4.5 ~4675=66, ~9659=50...(7) Violated in 0 structures by 0.00 A. Peak 9657 from cnoeabs.peaks (6.23, 3.72, 59.63 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.58: HD22 ASN 8 + HA LYS 61 OK 58 65 100 88 2.0-3.9 ~9655=59, 9654/3.0=55...(5) Violated in 0 structures by 0.00 A. Peak 9659 from cnoeabs.peaks (7.15, 1.52, 31.52 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.90: QE PHE 93 + HB2 LYS 61 OK 90 92 100 98 2.0-5.1 4677/3.7=81, 4675=66...(5) Violated in 0 structures by 0.00 A. Peak 9661 from cnoeabs.peaks (7.17, 1.10, 28.78 ppm; 5.87 A): 0 out of 0 assignments used, quality = 0.00: Peak 9674 from cnoeabs.peaks (2.72, 1.87, 40.89 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.90: HB2 ASP 60 + HB2 LEU 63 OK 90 90 100 100 2.0-3.7 9685/3.1=79, 9676/1.8=76...(17) HG3 GLU 37 - HB2 LEU 63 far 0 99 0 - 7.2-10.9 Violated in 0 structures by 0.00 A. Peak 9675 from cnoeabs.peaks (2.57, 1.87, 40.89 ppm; 5.33 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 60 + HB2 LEU 63 OK 100 100 100 100 2.0-3.8 1.8/9674=88, 9645/3.1=84...(16) HG2 MET 67 + HB2 LEU 63 OK 44 99 45 99 5.1-8.2 ~9721=67, 10991/11259=54...(19) Violated in 0 structures by 0.00 A. Peak 9676 from cnoeabs.peaks (2.73, 1.43, 40.89 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASP 60 + HB3 LEU 63 OK 98 98 100 100 3.7-5.3 9674/1.8=81, 9641/3.1=78...(17) HG3 GLU 37 - HB3 LEU 63 far 5 100 5 - 6.0-9.9 Violated in 7 structures by 0.03 A. Peak 9677 from cnoeabs.peaks (2.57, 1.43, 40.89 ppm; 5.61 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 60 + HB3 LEU 63 OK 100 100 100 100 3.5-5.3 1.8/9676=92, 9645/3.1=89...(16) HG2 MET 67 + HB3 LEU 63 OK 100 100 100 100 4.2-6.6 3.3/9721=81...(17) Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (2.71, 1.62, 26.77 ppm; 4.55 A): 0 out of 1 assignment used, quality = 0.00: HG3 GLU 37 - HG LEU 63 far 0 77 0 - 6.8-9.9 Violated in 20 structures by 4.50 A. Peak 9679 from cnoeabs.peaks (2.58, 1.62, 26.77 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.94: HB3 ASP 60 + HG LEU 63 OK 94 94 100 100 2.0-4.1 9645/2.1=80, ~9685=69...(17) HG2 MET 67 - HG LEU 63 far 0 92 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 9680 from cnoeabs.peaks (3.92, 0.71, 22.93 ppm; 3.85 A): 3 out of 3 assignments used, quality = 1.00: HB2 SER 35 + QD2 LEU 63 OK 98 100 100 98 2.2-4.8 10797=74, 3.0/11048=60...(12) HA LEU 38 + QD2 LEU 63 OK 96 97 100 99 3.7-4.8 3522/10987=54...(14) HA LEU 64 + QD2 LEU 63 OK 59 90 70 94 5.1-5.7 ~390=33, 2.9/7614=27...(17) Violated in 1 structures by 0.00 A. Peak 9681 from cnoeabs.peaks (2.73, 0.71, 22.93 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 60 + QD2 LEU 63 OK 98 98 100 100 3.8-5.2 9641/2.1=92, ~9645=74...(15) HG3 GLU 37 + QD2 LEU 63 OK 74 100 90 83 4.1-7.3 210/10957=42...(5) Violated in 0 structures by 0.00 A. Peak 9682 from cnoeabs.peaks (2.56, 0.71, 22.93 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.98: HG2 MET 67 + QD2 LEU 63 OK 87 87 100 100 3.8-6.7 ~9721=65, 9711/10987=63...(15) HB3 ASP 60 + QD2 LEU 63 OK 84 84 100 100 3.7-5.0 ~9685=93, ~9641=90...(15) Violated in 0 structures by 0.00 A. Peak 9683 from cnoeabs.peaks (2.39, 0.71, 22.93 ppm; 5.94 A): 2 out of 2 assignments used, quality = 1.00: HG3 MET 67 + QD2 LEU 63 OK 99 100 100 100 4.7-7.0 ~9721=60, 3.3/4739=46...(19) HG2 GLU 66 + QD2 LEU 63 OK 99 100 100 99 4.4-5.7 11070/4714=82...(9) Violated in 0 structures by 0.00 A. Peak 9684 from cnoeabs.peaks (2.13, 0.71, 22.93 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.87: HB2 LEU 38 + QD2 LEU 63 OK 87 87 100 100 1.8-2.5 3.1/10987=71...(20) HG2 GLU 41 - QD2 LEU 63 lone 5 97 35 16 4.7-7.1 1234/10957=5...(3) Violated in 0 structures by 0.00 A. Peak 9685 from cnoeabs.peaks (2.72, 0.74, 25.21 ppm; 3.97 A): 1 out of 11 assignments used, quality = 0.69: HB2 ASP 60 + QD1 LEU 63 OK 69 70 100 100 2.2-3.7 1.8/9645=61, 4.0/9649=45...(18) HB3 ASN 50 - QD1 LEU 45 poor 8 28 30 - 4.2-9.1 HB2 ASN 50 - QD1 LEU 45 poor 5 27 20 - 3.6-9.4 HG3 GLU 37 - QD1 LEU 63 far 5 92 5 - 4.0-6.7 HE3 LYS 53 - QD1 LEU 45 far 0 36 0 - 7.7-12.2 HB2 ASP 60 - QD2 LEU 6 far 0 51 0 - 8.0-9.7 HE2 LYS 19 - QD2 LEU 6 far 0 45 0 - 8.8-13.2 HG3 GLU 37 - QD2 LEU 6 far 0 72 0 - 9.0-12.2 HE3 LYS 19 - QD1 LEU 63 far 0 61 0 - 9.0-12.2 HE3 LYS 19 - QD2 LEU 6 far 0 45 0 - 9.3-12.8 HE2 LYS 19 - QD1 LEU 63 far 0 61 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 9686 from cnoeabs.peaks (2.56, 0.74, 25.21 ppm; 4.31 A): 2 out of 6 assignments used, quality = 0.99: HB3 ASP 60 + QD1 LEU 63 OK 97 97 100 100 1.9-2.5 1.8/9685=85, 9645=85...(16) HG2 MET 67 + QD2 LEU 6 OK 78 79 100 98 1.9-4.8 1.8/9719=53, ~11563=41...(15) HG2 MET 67 - QD1 LEU 63 far 15 98 15 - 5.7-7.7 HG2 MET 67 - QD1 LEU 45 far 2 33 5 - 5.4-10.3 HB3 ASP 60 - QD2 LEU 6 far 0 78 0 - 7.4-10.0 HE3 LYS 77 - QD2 LEU 6 far 0 58 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9688 from cnoeabs.peaks (7.10, 3.91, 57.78 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.58: HZ PHE 93 + HA LEU 64 OK 58 61 100 94 5.7-6.8 9691/3.7=59...(7) QE PHE 79 - HA GLU 128 far 0 86 0 - 7.5-10.0 Violated in 20 structures by 0.72 A. Peak 9689 from cnoeabs.peaks (7.11, 1.79, 41.35 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9690 from cnoeabs.peaks (7.08, 1.63, 41.35 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 93 + HB3 LEU 64 OK 100 100 100 100 3.1-4.9 ~9693=75, ~9692=73...(16) Violated in 0 structures by 0.00 A. Peak 9691 from cnoeabs.peaks (7.10, 1.64, 26.77 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.81: HZ PHE 93 + HG LEU 64 OK 81 81 100 100 3.0-5.9 ~9693=79, ~9692=77...(18) HZ PHE 93 - HG LEU 90 far 0 79 0 - 9.5-12.3 Violated in 1 structures by 0.01 A. Peak 9692 from cnoeabs.peaks (7.12, 0.81, 24.93 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.70: QE PHE 93 + QD1 LEU 64 OK 70 73 100 96 1.9-3.9 9693/2.1=44, 4679=37...(16) QE PHE 120 - QD1 LEU 64 far 0 70 0 - 6.7-9.5 QE PHE 120 - QD1 LEU 114 far 0 38 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 9693 from cnoeabs.peaks (7.13, 0.78, 24.57 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.98: QE PHE 93 + QD2 LEU 64 OK 98 100 100 98 2.0-5.1 4679/2.1=45...(18) QE PHE 120 - QD2 LEU 64 far 0 100 0 - 7.4-10.1 Violated in 11 structures by 0.28 A. Peak 9694 from cnoeabs.peaks (3.73, 0.81, 24.93 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.75: HA LYS 61 + QD1 LEU 64 OK 75 87 100 86 1.9-4.7 8097/4781=36...(8) HA2 GLY 101 - QD1 LEU 64 far 0 87 0 - 9.9-12.2 HA ILE 71 - QD1 LEU 64 far 0 100 0 - 9.9-10.8 Violated in 7 structures by 0.26 A. Peak 9702 from cnoeabs.peaks (0.90, 3.95, 59.96 ppm; 3.61 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 70 + HA MET 67 OK 96 97 100 99 1.9-3.1 9769=81, 2.1/9770=42...(13) QD2 LEU 70 + HA MET 67 OK 93 99 95 99 4.1-5.4 2.1/9769=63, 9770=43...(13) QD2 LEU 38 + HA MET 67 OK 63 92 90 77 4.3-5.4 ~9699=26, ~10998=26...(8) Violated in 0 structures by 0.00 A. Peak 9703 from cnoeabs.peaks (0.63, 3.95, 59.96 ppm; 4.29 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 4 - HA MET 67 far 0 94 0 - 6.4-10.0 QG1 VAL 78 - HA MET 67 far 0 65 0 - 6.7-8.0 Violated in 20 structures by 2.56 A. Peak 9704 from cnoeabs.peaks (0.95, 2.20, 33.44 ppm; 4.48 A): 2 out of 8 assignments used, quality = 0.91: QD1 LEU 38 + HB2 MET 67 OK 80 81 100 99 1.8-4.2 9711/3.0=56...(20) HG13 ILE 56 + HB2 MET 67 OK 56 92 85 72 5.0-6.3 ~9709=31, 9717/3.0=24...(10) HG3 LYS 53 - HG3 GLN 28 poor 16 46 35 - 4.7-9.2 HD3 LYS 2 - HB3 MET 1 poor 16 46 35 - 3.8-8.6 QD2 LEU 127 - HB3 MET 1 far 2 35 5 - 5.8-11.1 HG3 LYS 53 - HB3 MET 1 far 0 44 0 - 7.3-13.3 HD3 LYS 2 - HG3 GLN 28 far 0 49 0 - 8.8-13.9 HG13 ILE 56 - HG3 GLN 28 far 0 53 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 9705 from cnoeabs.peaks (0.87, 2.20, 33.44 ppm; 5.20 A): 1 out of 5 assignments used, quality = 0.86: QG1 VAL 32 + HB2 MET 67 OK 86 100 95 90 4.4-6.8 10929/4950=54, ~9708=43...(5) QG2 VAL 22 - HG3 GLN 28 far 0 46 0 - 7.1-8.3 QG2 VAL 104 - HB2 MET 67 far 0 70 0 - 9.3-12.5 HG13 ILE 57 - HG3 GLN 28 far 0 57 0 - 9.8-12.0 HG13 ILE 57 - HB2 MET 67 far 0 96 0 - 9.8-11.7 Violated in 7 structures by 0.24 A. Peak 9706 from cnoeabs.peaks (0.72, 2.20, 33.44 ppm; 5.02 A): 3 out of 12 assignments used, quality = 1.00: QD1 LEU 6 + HB2 MET 67 OK 94 99 95 100 3.3-6.6 11564/1.8=94...(15) QD2 LEU 63 + HB2 MET 67 OK 77 90 100 86 3.9-6.0 10987/9704=30...(10) QD2 LEU 6 + HB2 MET 67 OK 76 77 100 99 2.0-4.6 ~11564=70, 11610/1.8=55...(14) QG2 VAL 78 - HB2 MET 67 far 15 99 15 - 6.0-8.2 QD2 LEU 45 - HG3 GLN 28 far 3 61 5 - 6.4-8.4 QD2 LEU 55 - HG3 GLN 28 far 0 39 0 - 6.6-8.2 QD2 LEU 45 - HB3 MET 1 far 0 58 0 - 7.6-12.2 QG2 VAL 78 - HB3 MET 1 far 0 58 0 - 7.7-11.5 QD2 LEU 55 - HB2 MET 67 far 0 73 0 - 8.3-11.9 QD1 ILE 57 - HG3 GLN 28 far 0 46 0 - 8.3-10.1 QD2 LEU 45 - HB2 MET 67 far 0 99 0 - 8.3-9.5 QD1 ILE 57 - HB2 MET 67 far 0 84 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 9707 from cnoeabs.peaks (0.93, 2.05, 33.44 ppm; 5.08 A): 0 out of 1 assignment used, quality = 0.00: HG13 ILE 97 - HB3 MET 67 far 0 100 0 - 8.3-12.8 Violated in 20 structures by 5.72 A. Peak 9708 from cnoeabs.peaks (0.77, 2.05, 33.44 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.90: QG2 VAL 32 + HB3 MET 67 OK 83 98 95 89 4.9-6.4 10928/4.3=65, ~9705=51...(4) QD2 LEU 64 + HB3 MET 67 OK 42 81 70 75 2.9-7.1 3.8/8120=71, 9759/9761=9 QD1 LEU 45 - HB3 MET 67 far 12 77 15 - 6.0-9.4 QD2 LEU 80 - HB3 MET 67 far 5 97 5 - 5.8-10.4 QD1 LEU 80 - HB3 MET 67 far 0 98 0 - 6.9-11.0 QD1 ILE 7 - HB3 MET 67 far 0 100 0 - 8.4-10.5 QD1 LEU 82 - HB3 MET 67 far 0 94 0 - 9.7-12.2 Violated in 8 structures by 0.16 A. Peak 9709 from cnoeabs.peaks (0.68, 2.05, 33.44 ppm; 4.85 A): 1 out of 4 assignments used, quality = 0.63: QG2 ILE 56 + HB3 MET 67 OK 63 87 100 72 3.1-4.9 10946/4.3=36, ~9704=20...(10) QD2 LEU 4 - HB3 MET 67 poor 17 99 45 37 5.1-10.0 11555/9761=21...(3) QG2 ILE 97 - HB3 MET 67 far 0 100 0 - 7.6-10.3 QD1 LEU 55 - HB3 MET 67 far 0 100 0 - 8.0-11.4 Violated in 1 structures by 0.00 A. Peak 9710 from cnoeabs.peaks (1.53, 2.57, 32.07 ppm; 5.91 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 38 + HG2 MET 67 OK 96 96 100 100 2.6-6.4 2.1/10991=99...(12) HG LEU 6 + HG2 MET 67 OK 94 94 100 100 3.1-6.7 ~11563=73, ~11564=71...(14) HG2 LYS 43 - HG2 MET 67 far 0 73 0 - 7.5-10.8 HB3 ARG 30 - HG2 MET 67 far 0 77 0 - 8.3-11.7 HB2 LYS 61 - HG2 MET 67 far 0 87 0 - 9.0-13.4 Violated in 0 structures by 0.00 A. Peak 9711 from cnoeabs.peaks (0.96, 2.57, 32.07 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 38 + HG2 MET 67 OK 98 98 100 100 1.8-4.3 10991=96, 9699/1442=37...(16) HG13 ILE 56 + HG2 MET 67 OK 20 100 25 81 3.5-7.1 ~9726=33, 10949/3.3=19...(11) Violated in 10 structures by 0.09 A. Peak 9712 from cnoeabs.peaks (0.86, 2.57, 32.07 ppm; 4.46 A): 0 out of 5 assignments used, quality = 0.00: QG1 VAL 32 - HG2 MET 67 poor 18 90 20 - 4.4-7.5 QG2 ILE 57 - HG2 MET 67 far 0 73 0 - 8.0-9.5 QG2 ILE 5 - HG2 MET 67 far 0 77 0 - 8.4-11.3 HG13 ILE 57 - HG2 MET 67 far 0 100 0 - 9.7-11.4 QG2 THR 9 - HG2 MET 67 far 0 97 0 - 10.0-11.9 Violated in 19 structures by 1.56 A. Peak 9713 from cnoeabs.peaks (0.72, 2.57, 32.07 ppm; 4.53 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 6 + HG2 MET 67 OK 93 99 95 99 3.3-6.1 11564/3.0=69...(14) QD2 LEU 6 + HG2 MET 67 OK 74 77 100 95 1.9-4.8 ~11563=45, ~11564=44...(12) QD2 LEU 63 + HG2 MET 67 OK 39 90 45 98 3.8-6.7 10987/10991=68, ~9721=32...(15) QG2 VAL 78 - HG2 MET 67 lone 2 99 50 4 5.3-8.4 2478/9686=3 QD2 LEU 45 - HG2 MET 67 far 0 99 0 - 6.6-10.9 QD2 LEU 55 - HG2 MET 67 far 0 73 0 - 8.3-12.1 QD1 ILE 57 - HG2 MET 67 far 0 84 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 9714 from cnoeabs.peaks (0.67, 2.57, 32.07 ppm; 4.40 A): 1 out of 5 assignments used, quality = 0.86: QD1 ILE 71 + HG2 MET 67 OK 86 87 100 99 2.0-5.7 9720/1.8=79, 9779/3.0=47...(12) QD1 ILE 56 - HG2 MET 67 far 15 99 15 - 4.2-7.5 QD2 LEU 4 - HG2 MET 67 far 9 87 10 - 4.9-10.1 QG2 ILE 97 - HG2 MET 67 far 0 73 0 - 6.9-10.4 QD1 LEU 55 - HG2 MET 67 far 0 65 0 - 7.8-11.9 Violated in 7 structures by 0.13 A. Peak 9715 from cnoeabs.peaks (1.71, 2.40, 32.07 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.77: HG12 ILE 71 + HG3 MET 67 OK 77 77 100 100 3.1-6.2 2.1/9720=100, ~9714=88...(12) HG3 LYS 39 - HG3 MET 67 far 0 92 0 - 7.7-11.6 HG LEU 74 - HG3 MET 67 far 0 99 0 - 7.8-12.2 HD2 LYS 39 - HG3 MET 67 far 0 100 0 - 9.0-13.8 HD3 LYS 39 - HG3 MET 67 far 0 99 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 9716 from cnoeabs.peaks (1.51, 2.40, 32.07 ppm; 5.67 A): 3 out of 7 assignments used, quality = 1.00: HB2 LEU 6 + HG3 MET 67 OK 95 100 95 100 4.7-7.2 3.1/11563=77...(13) HG LEU 6 + HG3 MET 67 OK 87 87 100 100 2.9-6.1 2.1/11563=87...(12) HG LEU 38 + HG3 MET 67 OK 84 84 100 100 3.8-6.8 ~10991=87, ~9711=72...(12) HB3 ARG 30 - HG3 MET 67 far 0 98 0 - 7.5-11.7 HG2 LYS 43 - HG3 MET 67 far 0 99 0 - 7.7-10.9 HG2 ARG 30 - HG3 MET 67 far 0 90 0 - 8.0-13.0 HB2 LYS 61 - HG3 MET 67 far 0 94 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 9717 from cnoeabs.peaks (0.94, 2.40, 32.07 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.73: QD1 LEU 38 + HG3 MET 67 OK 59 61 100 96 2.8-4.5 9711/1.8=49, 9704/3.0=33...(15) HG13 ILE 56 + HG3 MET 67 OK 34 77 50 87 2.9-6.7 ~9726=43, 9704/3.0=23...(12) HG13 ILE 97 - HG3 MET 67 far 0 65 0 - 7.8-12.1 Violated in 1 structures by 0.01 A. Peak 9718 from cnoeabs.peaks (0.87, 2.40, 32.07 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.59: QG1 VAL 32 + HG3 MET 67 OK 38 99 40 95 4.7-7.6 9705/3.0=58...(7) QD2 LEU 38 + HG3 MET 67 OK 35 70 50 100 5.1-7.1 ~10991=71, ~9711=59...(19) HG13 ILE 57 - HG3 MET 67 far 0 84 0 - 8.6-11.6 QG2 VAL 104 - HG3 MET 67 far 0 87 0 - 9.2-12.5 QG2 THR 9 - HG3 MET 67 far 0 94 0 - 9.7-12.4 Violated in 19 structures by 0.74 A. Peak 9719 from cnoeabs.peaks (0.75, 2.40, 32.07 ppm; 4.67 A): 2 out of 7 assignments used, quality = 0.89: QD2 LEU 6 + HG3 MET 67 OK 86 87 100 99 1.8-3.8 2.1/11563=63...(18) QG2 VAL 32 + HG3 MET 67 OK 21 73 30 95 4.1-7.0 ~9724=51, 10928/3.3=51...(8) QD1 LEU 63 - HG3 MET 67 poor 20 98 20 - 5.9-8.3 QG2 ILE 54 - HG3 MET 67 far 5 100 5 - 6.0-10.0 QD1 LEU 45 - HG3 MET 67 far 0 97 0 - 6.4-9.5 QD2 LEU 55 - HG3 MET 67 far 0 90 0 - 7.1-11.4 QG2 ILE 7 - HG3 MET 67 far 0 100 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 9720 from cnoeabs.peaks (0.66, 2.40, 32.07 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 71 + HG3 MET 67 OK 98 98 100 100 2.1-5.3 9781=86, 9714/1.8=68...(13) QD1 ILE 56 - HG3 MET 67 poor 20 100 20 - 3.3-7.3 QD2 LEU 4 - HG3 MET 67 far 7 65 10 - 5.2-10.4 QD1 LEU 4 - HG3 MET 67 far 3 65 5 - 4.6-10.2 Violated in 7 structures by 0.10 A. Peak 9721 from cnoeabs.peaks (1.44, 1.88, 16.76 ppm; 3.48 A): 1 out of 9 assignments used, quality = 0.81: HB3 LEU 63 + QE MET 67 OK 81 90 100 90 1.9-3.7 4725=36, 4.6/9736=26...(17) HG12 ILE 56 - QE MET 67 poor 18 92 20 - 3.3-5.7 HG3 ARG 30 - QE MET 67 far 0 77 0 - 6.5-8.8 HB3 LEU 4 - QE MET 67 far 0 100 0 - 6.7-8.2 HB2 LEU 4 - QE MET 67 far 0 100 0 - 7.0-8.6 HG LEU 80 - QE MET 67 far 0 99 0 - 7.1-10.6 HG LEU 4 - QE MET 67 far 0 81 0 - 7.3-10.0 HG3 LYS 44 - QE MET 67 far 0 100 0 - 7.5-10.1 HB3 LYS 61 - QE MET 67 far 0 99 0 - 8.7-9.5 Violated in 1 structures by 0.01 A. Peak 9722 from cnoeabs.peaks (1.65, 1.88, 16.76 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.23: HG LEU 64 + QE MET 67 OK 23 97 35 68 4.4-6.4 5.2/9736=35, 3.7/9729=34...(4) HB2 ARG 30 - QE MET 67 far 5 99 5 - 5.6-7.0 HD3 LYS 65 - QE MET 67 far 0 100 0 - 6.6-9.6 HD2 LYS 65 - QE MET 67 far 0 99 0 - 7.0-9.1 HB ILE 5 - QE MET 67 far 0 100 0 - 7.9-9.8 Violated in 20 structures by 1.60 A. Peak 9723 from cnoeabs.peaks (0.97, 1.88, 16.76 ppm; 3.21 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 38 + QE MET 67 OK 91 96 100 96 1.8-3.7 10995=47, 10991/3.3=35...(21) HG13 ILE 56 + QE MET 67 OK 74 87 100 85 3.5-4.4 2.1/9726=73...(8) Violated in 1 structures by 0.01 A. Peak 9724 from cnoeabs.peaks (0.85, 1.88, 16.76 ppm; 3.09 A): 1 out of 9 assignments used, quality = 0.57: QG1 VAL 32 + QE MET 67 OK 57 73 100 77 2.4-4.2 2.1/10928=40, 10929=30...(7) QG2 ILE 57 - QE MET 67 far 0 90 0 - 5.0-6.8 HG13 ILE 57 - QE MET 67 far 0 96 0 - 6.2-8.2 QG2 THR 9 - QE MET 67 far 0 87 0 - 7.0-8.7 QG2 ILE 5 - QE MET 67 far 0 92 0 - 7.0-9.0 QG2 ILE 15 - QE MET 67 far 0 99 0 - 7.2-8.9 QG2 VAL 22 - QE MET 67 far 0 100 0 - 9.3-10.8 HG13 ILE 5 - QE MET 67 far 0 99 0 - 9.6-11.7 QG2 VAL 117 - QE MET 67 far 0 81 0 - 9.7-11.3 Violated in 9 structures by 0.14 A. Peak 9725 from cnoeabs.peaks (0.75, 1.88, 16.76 ppm; 2.70 A): 3 out of 8 assignments used, quality = 0.92: QD1 LEU 63 + QE MET 67 OK 66 98 85 79 3.0-4.7 3.1/9721=30, 2.1/4739=15...(17) QD2 LEU 6 + QE MET 67 OK 55 87 100 63 1.7-3.7 9719/3.3=14...(16) QG2 VAL 32 + QE MET 67 OK 51 73 100 69 2.3-3.7 2.1/9724=48, 10928=22...(6) QG2 ILE 54 - QE MET 67 far 0 100 0 - 6.0-7.7 QD1 LEU 45 - QE MET 67 far 0 97 0 - 6.3-7.8 QG2 ILE 7 - QE MET 67 far 0 100 0 - 6.4-8.1 QD2 LEU 55 - QE MET 67 far 0 90 0 - 6.5-8.6 QD1 ILE 15 - QE MET 67 far 0 70 0 - 7.6-9.1 Violated in 3 structures by 0.01 A. Peak 9726 from cnoeabs.peaks (0.67, 1.88, 16.76 ppm; 2.82 A): 1 out of 5 assignments used, quality = 0.36: QD1 ILE 56 + QE MET 67 OK 36 99 75 49 3.2-4.5 4473/10946=24...(5) QD1 ILE 71 - QE MET 67 poor 17 87 20 - 3.4-5.3 QD2 LEU 4 - QE MET 67 far 0 87 0 - 5.4-8.4 QD1 LEU 55 - QE MET 67 far 0 65 0 - 5.8-9.3 QG2 ILE 97 - QE MET 67 far 0 73 0 - 7.3-9.3 Violated in 20 structures by 1.36 A. Peak 9727 from cnoeabs.peaks (3.42, 1.88, 16.76 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.97: HB3 SER 58 + QE MET 67 OK 97 99 100 98 2.0-4.5 1.8/9728=78, 2.8/9735=53...(10) Violated in 3 structures by 0.05 A. Peak 9728 from cnoeabs.peaks (3.79, 1.88, 16.76 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.91: HB2 SER 58 + QE MET 67 OK 91 96 100 95 2.9-4.0 1.8/9727=72, 2.8/9735=50...(11) HA LEU 68 - QE MET 67 far 5 94 5 - 4.9-6.4 HA LYS 65 - QE MET 67 far 0 98 0 - 5.8-6.7 Violated in 5 structures by 0.03 A. Peak 9729 from cnoeabs.peaks (3.91, 1.88, 16.76 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 64 + QE MET 67 OK 92 100 100 92 1.8-3.4 2.9/9736=34...(14) HA LEU 38 + QE MET 67 OK 84 100 95 89 2.8-4.9 11003/9724=42, 11230=38...(11) HB2 SER 35 - QE MET 67 far 0 90 0 - 6.3-9.3 Violated in 0 structures by 0.00 A. Peak 9730 from cnoeabs.peaks (3.78, 2.40, 32.07 ppm; 6.20 A): 3 out of 3 assignments used, quality = 1.00: HA LEU 68 + HG3 MET 67 OK 100 100 100 100 3.1-6.1 3.0/419=93, 9784/9720=87...(11) HB2 SER 58 + HG3 MET 67 OK 95 100 95 100 5.0-8.1 ~9727=79, 9728/3.3=77...(10) HA LYS 65 + HG3 MET 67 OK 48 70 90 76 4.4-8.0 8124/419=44...(4) Violated in 0 structures by 0.00 A. Peak 9734 from cnoeabs.peaks (5.02, 1.88, 16.76 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.93: HA SER 58 + QE MET 67 OK 93 94 100 99 4.1-5.4 3.0/9728=84, 3.0/9727=82...(6) Violated in 13 structures by 0.13 A. Peak 9735 from cnoeabs.peaks (5.10, 1.88, 16.76 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.94: HG SER 58 + QE MET 67 OK 94 96 100 98 3.2-4.6 2.8/9728=74, 2.8/9727=72...(9) Violated in 1 structures by 0.01 A. Peak 9736 from cnoeabs.peaks (7.64, 1.88, 16.76 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.82: H LEU 64 + QE MET 67 OK 82 84 100 98 3.7-4.3 4.6/9721=56, 2.9/9729=44...(14) H GLU 69 - QE MET 67 far 0 87 0 - 6.2-6.9 H ALA 46 - QE MET 67 far 0 100 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9741 from cnoeabs.peaks (6.71, 3.78, 57.94 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.99: QE TYR 102 + HA LEU 68 OK 99 99 100 100 3.4-3.8 4633/4961=94...(11) QD PHE 79 - HA LEU 68 far 0 94 0 - 8.8-10.0 QE TYR 76 - HA LEU 68 far 0 99 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 9743 from cnoeabs.peaks (7.18, 0.51, 25.27 ppm; 5.67 A): 0 out of 0 assignments used, 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 = 0.65: QD TYR 102 + QD1 LEU 68 OK 65 65 100 100 2.6-3.8 2.2/4632=91, 9749/2.1=89...(17) Violated in 0 structures by 0.00 A. Peak 9745 from cnoeabs.peaks (6.72, 0.51, 25.27 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 102 + QD1 LEU 68 OK 100 100 100 100 2.6-3.5 4633/2.1=99, 2.2/4695=95...(13) QD PHE 79 - QD1 LEU 68 far 0 100 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 9747 from cnoeabs.peaks (8.04, 0.38, 23.07 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: H LYS 65 + QD2 LEU 68 OK 100 100 100 100 6.1-6.7 4.2/11074=80, ~8125=68...(17) H SER 72 + QD2 LEU 68 OK 82 84 100 98 4.0-5.0 4.1/9775=82...(4) H THR 9 - QD2 LEU 68 far 0 96 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9748 from cnoeabs.peaks (7.14, 0.38, 23.07 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.97: QE PHE 93 + QD2 LEU 68 OK 97 99 100 97 5.9-7.5 ~4721=80, 9693/10967=43...(6) QE PHE 120 - QD2 LEU 68 lone 4 100 45 8 7.2-8.3 9934/9923=7 Violated in 17 structures by 0.62 A. Peak 9749 from cnoeabs.peaks (6.97, 0.38, 23.07 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.87: QD TYR 102 + QD2 LEU 68 OK 87 87 100 100 2.4-3.3 2.2/4633=96, 4696=80...(17) HZ PHE 79 - QD2 LEU 68 far 0 65 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 9750 from cnoeabs.peaks (6.71, 0.38, 23.07 ppm; 4.34 A): 1 out of 3 assignments used, quality = 0.92: QE TYR 102 + QD2 LEU 68 OK 92 92 100 100 2.2-3.1 2.2/4696=84, 4633=83...(17) QD PHE 79 - QD2 LEU 68 far 4 81 5 - 5.7-6.8 QE TYR 76 - QD2 LEU 68 far 0 94 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 9751 from cnoeabs.peaks (6.72, 1.38, 40.88 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: QE TYR 102 + HB3 LEU 68 OK 98 98 100 100 2.0-3.9 4633/3.1=98, 4632/3.1=96...(11) QD PHE 79 - HB3 LEU 68 far 0 100 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 9752 from cnoeabs.peaks (6.71, 1.75, 40.88 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 102 + HB2 LEU 68 OK 99 99 100 100 2.2-4.4 4633/3.1=97, 4632/3.1=95...(12) Violated in 0 structures by 0.00 A. Peak 9753 from cnoeabs.peaks (3.93, 0.51, 25.27 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.98: HA ILE 97 + QD1 LEU 68 OK 96 96 100 100 3.3-4.5 3.2/11496=99...(8) HA MET 67 + QD1 LEU 68 OK 65 65 100 100 6.5-6.9 3.6/1450=96, ~11271=58...(5) HA LEU 38 - QD1 LEU 68 far 0 61 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9754 from cnoeabs.peaks (3.91, 0.38, 23.07 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 64 + QD2 LEU 68 OK 100 100 100 100 4.8-5.6 3.7/11073=94...(17) HA LEU 38 - QD2 LEU 68 far 0 100 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 9758 from cnoeabs.peaks (1.02, 3.78, 57.94 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.99: HG13 ILE 71 + HA LEU 68 OK 99 99 100 100 2.1-4.9 9785=97, 2.1/9760=89...(10) HG12 ILE 97 - HA LEU 68 far 0 77 0 - 6.4-9.7 Violated in 1 structures by 0.02 A. Peak 9759 from cnoeabs.peaks (0.79, 3.78, 57.94 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.67: QD2 LEU 64 + HA LEU 68 OK 67 97 95 73 3.8-6.6 10967/4961=33...(9) QD1 LEU 80 - HA LEU 68 poor 15 77 30 63 4.8-8.7 9925/4.0=36...(4) QD2 LEU 80 - HA LEU 68 far 12 81 15 - 4.6-8.3 QD1 LEU 82 - HA LEU 68 far 0 87 0 - 8.9-10.7 Violated in 8 structures by 0.42 A. Peak 9760 from cnoeabs.peaks (0.67, 3.78, 57.94 ppm; 3.87 A): 1 out of 5 assignments used, quality = 0.86: QD1 ILE 71 + HA LEU 68 OK 86 87 100 99 1.8-3.6 9784=79, 3.2/8146=53...(14) QG2 ILE 97 - HA LEU 68 far 0 73 0 - 5.5-7.0 QD1 ILE 56 - HA LEU 68 far 0 99 0 - 5.8-8.7 QD2 LEU 4 - HA LEU 68 far 0 87 0 - 5.9-9.0 QD1 LEU 55 - HA LEU 68 far 0 65 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 9761 from cnoeabs.peaks (2.04, 3.78, 57.94 ppm; 5.64 A): 1 out of 3 assignments used, quality = 0.99: HB3 MET 67 + HA LEU 68 OK 99 99 100 100 4.2-5.4 9779/9784=72, 417/3.0=71...(12) HB3 GLN 100 - HA LEU 68 far 5 100 5 - 7.1-8.8 HB2 GLU 66 - HA LEU 68 far 0 99 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 9763 from cnoeabs.peaks (1.89, 0.38, 23.07 ppm; 5.07 A): 2 out of 7 assignments used, quality = 1.00: HB ILE 71 + QD2 LEU 68 OK 100 100 100 100 2.9-4.4 2.1/9775=83...(12) QE MET 67 + QD2 LEU 68 OK 58 84 100 69 4.7-6.3 7641/1451=46...(4) HB ILE 7 - QD2 LEU 68 far 0 100 0 - 7.6-8.6 HB3 LYS 73 - QD2 LEU 68 far 0 100 0 - 7.7-10.4 HB2 LYS 96 - QD2 LEU 68 far 0 96 0 - 7.8-9.5 HB2 LYS 73 - QD2 LEU 68 far 0 100 0 - 8.8-10.0 HG LEU 45 - QD2 LEU 68 far 0 90 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9764 from cnoeabs.peaks (1.90, 0.51, 25.27 ppm; 6.05 A): 2 out of 6 assignments used, quality = 0.97: HB ILE 71 + QD1 LEU 68 OK 96 96 100 100 5.2-7.0 3.0/11075=90...(9) HB2 LYS 96 + QD1 LEU 68 OK 24 100 100 24 5.6-7.0 11094/9922=22 HB2 LEU 81 - QD1 LEU 68 far 4 77 5 - 7.2-8.6 HB ILE 7 - QD1 LEU 68 far 0 87 0 - 7.9-9.2 HB3 LYS 73 - QD1 LEU 68 far 0 92 0 - 8.9-11.8 HB2 ARG 95 - QD1 LEU 68 far 0 97 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 9765 from cnoeabs.peaks (0.78, 0.51, 25.27 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: QD2 LEU 64 + QD1 LEU 68 OK 94 100 100 94 1.8-3.0 3.1/11071=32, ~11073=28...(18) QD1 LEU 80 + QD1 LEU 68 OK 94 99 100 95 1.7-4.4 2.1/9922=50, 9925=29...(19) QD2 LEU 80 + QD1 LEU 68 OK 91 99 100 92 1.8-4.0 9922=60, 2.1/9925=27...(17) QD1 LEU 82 - QD1 LEU 68 far 5 100 5 - 4.4-6.0 QD1 ILE 7 - QD1 LEU 68 far 0 84 0 - 6.4-8.2 QD1 LEU 81 - QD1 LEU 68 far 0 94 0 - 7.7-8.8 QG2 VAL 32 - QD1 LEU 68 far 0 70 0 - 8.8-9.5 QG1 VAL 107 - QD1 LEU 68 far 0 70 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 9766 from cnoeabs.peaks (0.70, 0.51, 25.27 ppm; 3.58 A): 1 out of 8 assignments used, quality = 0.85: QD1 LEU 6 + QD1 LEU 68 OK 85 90 100 95 2.9-4.5 11565/2.1=64, ~11343=41...(12) QG2 ILE 56 - QD1 LEU 68 far 0 92 0 - 6.0-6.9 QD2 LEU 63 - QD1 LEU 68 far 0 99 0 - 7.4-8.4 QD2 LEU 81 - QD1 LEU 68 far 0 100 0 - 7.5-8.7 QD1 LEU 55 - QD1 LEU 68 far 0 57 0 - 7.6-10.3 QG1 VAL 117 - QD1 LEU 68 far 0 70 0 - 7.8-9.3 QD1 ILE 57 - QD1 LEU 68 far 0 100 0 - 9.1-10.9 QG2 ILE 18 - QD1 LEU 68 far 0 81 0 - 9.6-10.8 Violated in 19 structures by 0.49 A. Peak 9767 from cnoeabs.peaks (0.74, 0.38, 23.07 ppm; 3.12 A): 2 out of 10 assignments used, quality = 0.99: QD2 LEU 6 + QD2 LEU 68 OK 96 100 100 96 2.0-3.4 11343=74, 2.1/11565=50...(13) QG2 VAL 78 + QD2 LEU 68 OK 67 90 100 75 3.0-4.0 2.1/9768=51...(8) QD1 LEU 45 - QD2 LEU 68 far 0 65 0 - 6.8-8.0 QD2 LEU 55 - QD2 LEU 68 far 0 100 0 - 7.0-9.3 QG1 VAL 117 - QD2 LEU 68 far 0 77 0 - 7.1-8.5 QG2 ILE 7 - QD2 LEU 68 far 0 96 0 - 7.1-8.0 QG2 ILE 54 - QD2 LEU 68 far 0 92 0 - 7.2-9.3 QD2 LEU 45 - QD2 LEU 68 far 0 90 0 - 8.4-9.7 QD1 LEU 63 - QD2 LEU 68 far 0 99 0 - 8.4-9.3 QG2 ILE 18 - QD2 LEU 68 far 0 65 0 - 8.9-10.0 Violated in 2 structures by 0.01 A. Peak 9768 from cnoeabs.peaks (0.63, 0.38, 23.07 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.58: QG1 VAL 78 + QD2 LEU 68 OK 58 65 100 88 1.7-2.9 9865=46, 4694/4696=33...(11) QD1 LEU 4 - QD2 LEU 68 far 0 94 0 - 5.1-7.5 QD1 ILE 5 - QD2 LEU 68 far 0 94 0 - 5.9-7.9 QD1 ILE 54 - QD2 LEU 68 far 0 100 0 - 9.1-10.5 QG1 VAL 22 - QD2 LEU 68 far 0 99 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 9769 from cnoeabs.peaks (3.95, 0.91, 25.18 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.98: HA MET 67 + QD1 LEU 70 OK 98 99 100 99 1.9-3.1 9770/2.1=47...(13) HB3 SER 35 - QD1 LEU 70 far 0 100 0 - 5.8-8.5 Violated in 0 structures by 0.00 A. Peak 9770 from cnoeabs.peaks (3.95, 0.90, 23.17 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: HA MET 67 + QD2 LEU 70 OK 100 100 100 100 4.1-5.4 9769/2.1=92, 8141/3.1=70...(13) HB3 SER 35 - QD2 LEU 70 far 0 100 0 - 7.2-10.2 Violated in 1 structures by 0.03 A. Peak 9772 from cnoeabs.peaks (1.20, 3.74, 64.24 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 74 + HA ILE 71 OK 100 100 100 100 2.4-4.2 3.1/9819=92...(18) Violated in 0 structures by 0.00 A. Peak 9773 from cnoeabs.peaks (1.49, 3.74, 64.24 ppm; 5.74 A): 1 out of 3 assignments used, quality = 0.71: HG3 LYS 73 + HA ILE 71 OK 71 84 100 84 4.1-7.1 4.9/2124=56...(8) HB3 LEU 45 - HA ILE 71 far 5 99 5 - 6.9-8.7 HB2 LEU 6 - HA ILE 71 far 0 70 0 - 8.1-9.1 Violated in 10 structures by 0.52 A. Peak 9775 from cnoeabs.peaks (0.38, 0.82, 18.37 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 68 + QG2 ILE 71 OK 91 100 100 91 3.2-4.6 9763/2.1=43, ~11075=41...(9) Violated in 0 structures by 0.00 A. Peak 9776 from cnoeabs.peaks (0.36, 0.65, 14.72 ppm; 3.93 A): 0 out of 1 assignment used, quality = 0.00: QD1 ILE 97 - QD1 ILE 71 far 0 100 0 - 5.7-8.4 Violated in 20 structures by 2.82 A. Peak 9777 from cnoeabs.peaks (1.44, 0.65, 14.72 ppm; 4.15 A): 4 out of 13 assignments used, quality = 0.95: HB3 LEU 4 + QD1 ILE 71 OK 62 99 100 63 3.0-4.4 2379=12, 1.8/2379=11...(16) HB2 LEU 4 + QD1 ILE 71 OK 62 99 100 62 3.0-4.2 2379=12, 1.8/2372=11...(15) HG LEU 4 + QD1 ILE 71 OK 55 94 90 65 4.1-5.9 9036/10843=14, ~5089=13...(14) HG12 ILE 56 + QD1 ILE 71 OK 22 77 100 28 3.4-5.2 2.9/5108=14, 1.8/4487=12, 4480=3 HB3 LEU 6 - QD1 ILE 71 lone 0 73 85 1 4.2-6.6 HG LEU 80 - QD1 ILE 71 far 0 100 0 - 6.2-10.0 HB3 LEU 38 - QD1 ILE 71 far 0 61 0 - 6.3-8.1 HB3 LEU 63 - QD1 ILE 71 far 0 73 0 - 7.2-8.9 HG3 LYS 44 - QD1 ILE 71 far 0 99 0 - 7.5-11.4 HG12 ILE 57 - QD1 ILE 71 far 0 65 0 - 8.2-10.4 HG12 ILE 7 - QD1 ILE 71 far 0 70 0 - 8.5-11.4 HG3 ARG 30 - QD1 ILE 71 far 0 92 0 - 8.9-10.6 HG2 LYS 39 - QD1 ILE 71 far 0 77 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 9778 from cnoeabs.peaks (1.58, 0.65, 14.72 ppm; 4.55 A): 2 out of 6 assignments used, quality = 0.98: HG LEU 68 + QD1 ILE 71 OK 89 92 100 96 3.2-5.3 3.7/9784=65, ~11075=47...(9) HB3 LEU 70 + QD1 ILE 71 OK 83 96 100 87 2.9-5.7 437/1471=54...(10) HG2 LYS 73 - QD1 ILE 71 far 3 61 5 - 5.8-8.7 HG2 LYS 44 - QD1 ILE 71 far 0 99 0 - 7.1-11.3 HG LEU 55 - QD1 ILE 71 far 0 87 0 - 7.6-9.7 HG12 ILE 3 - QD1 ILE 71 far 0 70 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 9779 from cnoeabs.peaks (2.04, 0.65, 14.72 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.93: HB3 MET 67 + QD1 ILE 71 OK 93 94 100 99 2.4-4.8 3.0/9781=72, 3.0/9714=57...(10) HB2 GLU 66 - QD1 ILE 71 far 0 100 0 - 6.8-8.7 HB3 GLN 100 - QD1 ILE 71 far 0 96 0 - 7.5-9.4 HG3 GLU 52 - QD1 ILE 71 far 0 99 0 - 8.3-14.2 Violated in 2 structures by 0.00 A. Peak 9780 from cnoeabs.peaks (2.21, 0.65, 14.72 ppm; 5.66 A): 3 out of 4 assignments used, quality = 1.00: HB2 MET 67 + QD1 ILE 71 OK 99 99 100 100 2.5-5.6 1.8/9779=97, 3.0/9781=91...(12) HB2 MET 42 + QD1 ILE 71 OK 51 70 100 73 2.8-6.0 4.2/11630=57...(6) HB2 GLU 69 + QD1 ILE 71 OK 35 97 95 38 5.8-7.3 11120/9783=24, ~3906=4...(7) HB2 GLN 100 - QD1 ILE 71 far 0 100 0 - 7.2-10.3 Violated in 0 structures by 0.00 A. Peak 9781 from cnoeabs.peaks (2.39, 0.65, 14.72 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.95: HG3 MET 67 + QD1 ILE 71 OK 95 96 100 100 2.1-5.3 9720=91, 1.8/9714=60...(13) HG2 GLU 66 - QD1 ILE 71 far 0 99 0 - 7.0-10.1 HB3 TYR 27 - QD1 ILE 71 far 0 77 0 - 9.7-12.4 Violated in 7 structures by 0.08 A. Peak 9782 from cnoeabs.peaks (2.55, 0.65, 14.72 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.69: HG2 MET 67 + QD1 ILE 71 OK 69 70 100 100 2.0-5.7 1.8/9781=97, 3.0/9779=78...(12) Violated in 1 structures by 0.02 A. Peak 9783 from cnoeabs.peaks (3.95, 0.65, 14.72 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: HA MET 67 + QD1 ILE 71 OK 100 100 100 100 3.3-5.0 3.0/9779=91, 3.7/9781=88...(10) HA ILE 97 - QD1 ILE 71 far 0 84 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 9784 from cnoeabs.peaks (3.78, 0.65, 14.72 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 68 + QD1 ILE 71 OK 100 100 100 100 1.8-3.6 9760=82, 9758/2.1=54...(14) HA LYS 65 - QD1 ILE 71 far 0 70 0 - 5.9-7.8 HB2 SER 58 - QD1 ILE 71 far 0 100 0 - 7.2-9.5 Violated in 0 structures by 0.00 A. Peak 9785 from cnoeabs.peaks (3.78, 1.02, 28.69 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 68 + HG13 ILE 71 OK 100 100 100 100 2.1-4.9 9758=99, 9760/2.1=89...(10) HA LYS 65 - HG13 ILE 71 far 0 70 0 - 7.1-10.1 HB2 SER 58 - HG13 ILE 71 far 0 100 0 - 10.0-11.4 Violated in 1 structures by 0.01 A. Peak 9786 from cnoeabs.peaks (2.84, 0.82, 18.37 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: HB3 TYR 76 + QG2 ILE 71 OK 99 99 100 100 1.9-4.0 2.5/9798=81, 1.8/9787=66...(15) HE2 LYS 77 - QG2 ILE 71 far 0 65 0 - 7.1-10.5 Violated in 0 structures by 0.00 A. Peak 9787 from cnoeabs.peaks (2.66, 0.82, 18.37 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.98: HB2 TYR 76 + QG2 ILE 71 OK 96 97 100 99 2.0-3.6 2.5/9798=65, 1.8/9786=59...(16) HG2 MET 42 + QG2 ILE 71 OK 37 100 55 68 3.9-7.1 3.3/11530=34, ~11685=20...(6) Violated in 0 structures by 0.00 A. Peak 9788 from cnoeabs.peaks (1.56, 0.82, 18.37 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.90: HB VAL 78 + QG2 ILE 71 OK 71 100 100 71 1.9-5.0 ~11291=51, 11290/9775=18...(5) HB3 LEU 70 + QG2 ILE 71 OK 64 81 100 80 3.9-6.0 4.5/5083=55, 3.8/9795=22...(9) QB ALA 46 - QG2 ILE 71 poor 20 98 20 - 5.8-8.3 HG12 ILE 3 - QG2 ILE 71 far 0 99 0 - 7.0-9.3 HG LEU 55 - QG2 ILE 71 far 0 92 0 - 8.6-11.0 HG2 LYS 65 - QG2 ILE 71 far 0 97 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 9789 from cnoeabs.peaks (1.46, 0.82, 18.37 ppm; 4.05 A): 2 out of 8 assignments used, quality = 0.99: HB2 LEU 74 + QG2 ILE 71 OK 97 100 100 98 2.4-5.4 5225=31, 3.0/5087=29...(23) HG LEU 4 + QG2 ILE 71 OK 48 84 75 76 3.1-6.3 2.1/5089=30...(14) HG3 LYS 73 - QG2 ILE 71 far 12 81 15 - 5.5-8.0 HB3 LEU 6 - QG2 ILE 71 far 0 98 0 - 6.2-7.4 HB3 LEU 38 - QG2 ILE 71 far 0 100 0 - 7.7-10.7 HG3 ARG 30 - QG2 ILE 71 far 0 87 0 - 9.1-12.2 HG12 ILE 57 - QG2 ILE 71 far 0 99 0 - 9.6-12.0 HD2 LYS 53 - QG2 ILE 71 far 0 73 0 - 9.9-13.5 Violated in 3 structures by 0.03 A. Peak 9790 from cnoeabs.peaks (7.61, 3.74, 64.24 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.99: H LEU 74 + HA ILE 71 OK 99 100 100 100 2.9-3.7 5248/11347=60...(14) Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (6.86, 3.74, 64.24 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 76 + HA ILE 71 OK 100 100 100 100 3.2-5.0 4572=96, 9798/3.2=77...(18) Violated in 0 structures by 0.00 A. Peak 9794 from cnoeabs.peaks (6.84, 1.90, 37.90 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.77: QD TYR 76 + HB ILE 71 OK 77 77 100 100 3.9-6.9 9798/2.1=97, ~9786=79...(21) Violated in 7 structures by 0.14 A. Peak 9795 from cnoeabs.peaks (7.71, 0.82, 18.37 ppm; 5.50 A): 2 out of 3 assignments used, quality = 1.00: H LEU 70 + QG2 ILE 71 OK 99 100 100 99 4.6-5.9 1913/5083=86...(8) H LYS 73 + QG2 ILE 71 OK 95 96 100 100 4.6-5.7 448/4.1=76, 3.6/11371=70...(11) H GLU 47 - QG2 ILE 71 far 0 100 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 9797 from cnoeabs.peaks (7.36, 0.82, 18.37 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: H TYR 76 + QG2 ILE 71 OK 99 100 100 99 2.7-4.9 1503/9798=66...(11) Violated in 4 structures by 0.02 A. Peak 9798 from cnoeabs.peaks (6.85, 0.82, 18.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.91: QD TYR 76 + QG2 ILE 71 OK 91 92 100 99 1.7-4.2 2.5/9786=54, 2.5/9787=48...(17) Violated in 3 structures by 0.02 A. Peak 9799 from cnoeabs.peaks (6.71, 0.82, 18.37 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.97: QE TYR 76 + QG2 ILE 71 OK 92 92 100 100 3.5-5.9 2.2/9798=83, 4.4/9786=46...(19) QE TYR 102 + QG2 ILE 71 OK 63 90 80 88 2.7-6.3 9750/9775=45...(8) QD PHE 79 - QG2 ILE 71 far 0 77 0 - 6.3-7.9 Violated in 1 structures by 0.00 A. Peak 9800 from cnoeabs.peaks (6.83, 0.65, 14.72 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9801 from cnoeabs.peaks (6.71, 0.65, 14.72 ppm; 5.73 A): 3 out of 3 assignments used, quality = 0.99: QE TYR 76 + QD1 ILE 71 OK 87 92 95 100 5.3-7.3 ~9798=66, 9799/3.3=52...(17) QE TYR 102 + QD1 ILE 71 OK 86 90 100 96 3.0-5.1 9741/9784=54...(8) QD PHE 79 + QD1 ILE 71 OK 43 77 80 70 6.3-8.1 ~9911=45, 9907/3.3=43...(4) Violated in 0 structures by 0.00 A. Peak 9807 from cnoeabs.peaks (0.81, 4.37, 61.37 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.93: QG2 ILE 71 + HA SER 72 OK 91 92 100 99 3.1-5.4 11371=79, 444/2.9=43...(9) QD1 LEU 74 + HA SER 72 OK 26 92 65 43 5.5-7.4 444/2.9=24, ~445=14...(4) QD2 LEU 74 - HA SER 72 poor 9 87 25 39 5.9-7.4 ~444=17, ~445=14...(4) QD1 LEU 64 - HA SER 72 far 0 97 0 - 9.6-11.6 Violated in 4 structures by 0.03 A. Peak 9808 from cnoeabs.peaks (0.63, 4.37, 61.37 ppm; 5.46 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 4 - HA SER 72 far 9 94 10 - 6.7-9.8 QG1 VAL 78 - HA SER 72 lone 3 65 65 7 5.8-7.7 ~11119=6 QD1 ILE 5 - HA SER 72 far 0 94 0 - 9.7-12.9 Violated in 20 structures by 0.81 A. Peak 9817 from cnoeabs.peaks (6.85, 0.82, 25.82 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 76 + QD1 LEU 74 OK 92 92 100 100 2.4-4.5 2.2/9818=96, 4610/2.1=84...(18) Violated in 0 structures by 0.00 A. Peak 9818 from cnoeabs.peaks (6.71, 0.82, 25.82 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.97: QE TYR 76 + QD1 LEU 74 OK 97 99 100 98 2.2-4.0 2.2/9817=46, ~4610=45...(15) QE TYR 102 - QD1 LEU 74 far 5 99 5 - 5.8-9.6 QD PHE 79 - QD1 LEU 74 far 0 94 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 9819 from cnoeabs.peaks (3.73, 0.82, 25.82 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 71 + QD1 LEU 74 OK 100 100 100 100 1.9-5.1 11347/2.1=67...(25) Violated in 4 structures by 0.13 A. Peak 9820 from cnoeabs.peaks (6.69, 0.82, 21.88 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9821 from cnoeabs.peaks (6.83, 0.82, 21.88 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9822 from cnoeabs.peaks (7.37, 4.23, 55.20 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: H TYR 76 + HA LEU 74 OK 100 100 100 100 4.3-4.5 469/3.6=98, 9827/2.9=95...(5) Violated in 0 structures by 0.00 A. Peak 9835 from cnoeabs.peaks (1.43, 2.66, 37.96 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 4 + HB2 TYR 76 OK 98 98 100 100 3.8-4.7 3.1/10732=84, ~9045=77...(18) HB3 LEU 4 + HB2 TYR 76 OK 98 98 100 100 5.5-6.3 3.1/10732=84, ~9045=77...(18) HG12 ILE 56 - HB2 TYR 76 far 0 99 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 9836 from cnoeabs.peaks (0.81, 2.66, 37.96 ppm; 4.54 A): 3 out of 3 assignments used, quality = 0.99: QG2 ILE 71 + HB2 TYR 76 OK 92 92 100 100 2.0-3.6 9798/2.5=72, 9786/1.8=70...(16) QD1 LEU 74 + HB2 TYR 76 OK 72 92 85 92 3.5-6.7 ~4610=46, 9818/4.4=45...(9) QD2 LEU 74 + HB2 TYR 76 OK 46 87 60 89 4.9-6.9 ~4610=46, ~9817=37...(8) Violated in 0 structures by 0.00 A. Peak 9837 from cnoeabs.peaks (0.65, 2.66, 37.96 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 71 + HB2 TYR 76 OK 98 99 100 99 3.3-5.9 3.3/9787=55, ~9786=50...(17) QD1 LEU 4 + HB2 TYR 76 OK 97 97 100 100 3.0-4.8 9037/2.5=88, 10732=88...(17) QD1 ILE 54 - HB2 TYR 76 far 0 81 0 - 7.9-10.8 QD1 ILE 56 - HB2 TYR 76 far 0 87 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 9840 from cnoeabs.peaks (1.43, 2.85, 37.96 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 4 + HB3 TYR 76 OK 98 98 100 100 3.5-5.5 3.1/9045=91, ~9037=75...(19) HB3 LEU 4 + HB3 TYR 76 OK 98 98 100 100 5.1-7.0 3.1/9045=91, ~9037=75...(19) HG12 ILE 56 - HB3 TYR 76 far 0 99 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 9841 from cnoeabs.peaks (0.82, 2.85, 37.96 ppm; 4.98 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 71 + HB3 TYR 76 OK 100 100 100 100 1.9-4.0 9786=98, 9798/2.5=90...(15) QD1 LEU 74 + HB3 TYR 76 OK 97 100 100 97 3.7-6.0 9817/2.5=61, 9818/4.4=60...(8) QD2 LEU 74 + HB3 TYR 76 OK 61 100 65 94 5.5-6.8 ~4610=56, ~9817=45...(8) QD2 LEU 82 - HB2 ASN 88 far 0 75 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 9842 from cnoeabs.peaks (0.64, 2.85, 37.96 ppm; 5.11 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 4 + HB3 TYR 76 OK 100 100 100 100 3.1-5.4 9045=96, 9037/2.5=94...(15) QD1 ILE 71 + HB3 TYR 76 OK 80 81 100 100 4.3-5.9 3.3/9786=73, ~9798=50...(16) QD1 ILE 5 - HB3 TYR 76 far 11 73 15 - 6.4-10.8 QD1 ILE 54 - HB3 TYR 76 far 0 99 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 9847 from cnoeabs.peaks (7.09, 1.17, 24.49 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 79 + HG3 LYS 77 OK 98 98 100 100 2.3-5.5 4656/1.8=96...(12) Violated in 0 structures by 0.00 A. Peak 9848 from cnoeabs.peaks (6.99, 1.17, 24.49 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 79 + HG3 LYS 77 OK 100 100 100 100 3.3-5.9 2.2/9847=90, ~4656=88...(14) QD TYR 102 + HG3 LYS 77 OK 55 99 85 65 5.9-7.8 4698/485=64, ~9851=2 Violated in 0 structures by 0.00 A. Peak 9849 from cnoeabs.peaks (7.08, 1.62, 28.20 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 9850 from cnoeabs.peaks (7.01, 1.62, 28.20 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.91: HZ PHE 79 + HD2 LYS 77 OK 70 70 100 100 2.4-5.7 10809/3.0=90, ~4656=74...(16) HZ PHE 79 + HD3 LYS 77 OK 69 69 100 100 2.7-4.8 10809/3.0=90, ~4656=74...(15) HZ PHE 120 - HD3 LYS 77 far 0 87 0 - 9.1-11.9 HZ PHE 120 - HD2 LYS 77 far 0 87 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 9851 from cnoeabs.peaks (6.73, 1.62, 28.20 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.97: QD PHE 79 + HD2 LYS 77 OK 84 84 100 100 3.3-5.9 ~4656=74, ~10808=70...(11) QD PHE 79 + HD3 LYS 77 OK 84 84 100 100 3.5-6.1 ~4656=74, ~10808=70...(11) QE TYR 102 - HD2 LYS 77 far 7 70 10 - 6.4-10.4 QE TYR 102 - HD3 LYS 77 poor 7 69 45 21 6.4-10.2 ~9848=20 QE TYR 76 - HD2 LYS 77 far 0 65 0 - 9.6-11.0 QE TYR 76 - HD3 LYS 77 far 0 65 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 9852 from cnoeabs.peaks (7.09, 1.35, 24.49 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.98: QE PHE 79 + HG2 LYS 77 OK 98 98 100 100 3.0-5.2 9847/1.8=76, 4656=63...(14) HZ PHE 93 - HG2 LYS 94 far 0 37 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 9853 from cnoeabs.peaks (7.00, 1.35, 24.49 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.99: HZ PHE 79 + HG2 LYS 77 OK 99 99 100 100 2.8-5.1 2.2/9852=93...(13) QD TYR 102 - HG2 LYS 77 far 13 90 15 - 7.3-8.9 QD TYR 102 - HG2 LYS 94 far 0 33 0 - 7.8-11.3 Violated in 0 structures by 0.00 A. Peak 9855 from cnoeabs.peaks (4.81, 1.84, 32.22 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.57: HA ILE 3 + HB3 LYS 77 OK 42 73 100 57 3.6-4.9 3.8/11691=42, 4.2/11086=26 HA ILE 3 + HB2 LYS 77 OK 27 73 95 38 4.8-6.2 4.2/11086=25, 3.8/11691=17 Violated in 1 structures by 0.01 A. Peak 9857 from cnoeabs.peaks (2.76, 1.56, 34.35 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.99: HB3 TYR 102 + HB VAL 78 OK 99 99 100 100 3.1-5.9 2.5/9872=98, 10175=97...(9) HG3 MET 42 - HB VAL 78 far 0 99 0 - 7.9-11.7 HE2 LYS 2 - HB VAL 78 far 0 100 0 - 8.1-12.7 Violated in 0 structures by 0.00 A. Peak 9858 from cnoeabs.peaks (4.54, 1.56, 34.35 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.96: HA LYS 77 + HB VAL 78 OK 96 99 100 97 4.5-4.8 481/1516=87, 9862/2.1=61 Violated in 0 structures by 0.00 A. Peak 9859 from cnoeabs.peaks (0.36, 0.72, 22.14 ppm; 3.93 A): 0 out of 1 assignment used, quality = 0.00: QD1 ILE 97 - QG2 VAL 78 far 0 100 0 - 7.0-9.4 Violated in 20 structures by 4.08 A. Peak 9860 from cnoeabs.peaks (2.65, 0.72, 22.14 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.69: HB2 TYR 76 + QG2 VAL 78 OK 69 73 100 93 2.8-3.3 1.8/9861=77, 2.5/9874=61...(5) HG2 MET 42 - QG2 VAL 78 far 5 96 5 - 6.1-9.0 HB2 TYR 27 - QG2 VAL 78 far 0 77 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 9861 from cnoeabs.peaks (2.84, 0.72, 22.14 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.88: HB3 TYR 76 + QG2 VAL 78 OK 88 92 100 96 2.9-3.6 1.8/9860=80, 2.5/9874=62...(5) HE2 LYS 77 - QG2 VAL 78 far 0 84 0 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 9862 from cnoeabs.peaks (4.53, 0.72, 22.14 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.67: HA LYS 77 + QG2 VAL 78 OK 67 73 100 91 3.9-4.3 3.6/1517=78, 9858/2.1=57 Violated in 0 structures by 0.00 A. Peak 9863 from cnoeabs.peaks (1.44, 0.61, 21.11 ppm; 3.68 A): 4 out of 11 assignments used, quality = 1.00: HB2 LEU 4 + QG1 VAL 78 OK 91 99 100 93 2.8-4.0 11529=41, 1.8/11529=31...(15) HB3 LEU 4 + QG1 VAL 78 OK 91 99 100 92 2.8-4.6 11529=41, 1.8/11529=31...(15) HB3 LEU 6 + QG1 VAL 78 OK 69 73 100 94 2.7-3.5 3.0/11567=51...(17) HG LEU 4 + QG1 VAL 78 OK 26 94 35 79 4.8-5.8 2.9/11529=24...(12) HG12 ILE 56 - QG1 VAL 78 poor 19 77 25 - 4.8-5.9 HG LEU 80 - QG1 VAL 78 far 5 100 5 - 4.8-6.8 HG12 ILE 7 - QG1 VAL 78 far 0 70 0 - 6.0-7.7 HG12 ILE 57 - QG1 VAL 78 far 0 65 0 - 7.8-9.7 HG3 ARG 30 - QG1 VAL 78 far 0 92 0 - 8.7-11.3 HB3 LEU 38 - QG1 VAL 78 far 0 61 0 - 9.1-10.2 HB3 LEU 63 - QG1 VAL 78 far 0 73 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 9864 from cnoeabs.peaks (1.28, 0.61, 21.11 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.98: HB3 LEU 80 + QG1 VAL 78 OK 98 100 100 98 4.0-5.9 9920=69, 3.0/9877=62...(6) HD3 LYS 53 - QG1 VAL 78 far 0 70 0 - 9.7-11.9 Violated in 5 structures by 0.03 A. Peak 9865 from cnoeabs.peaks (0.37, 0.61, 21.11 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.79: QD2 LEU 68 + QG1 VAL 78 OK 79 87 100 91 1.7-2.9 9768=44, 4696/4694=28...(12) QD1 ILE 97 - QG1 VAL 78 far 0 94 0 - 5.4-7.7 Violated in 0 structures by 0.00 A. Peak 9866 from cnoeabs.peaks (2.73, 0.61, 21.11 ppm; 6.20 A): 0 out of 1 assignment used, quality = 0.00: HE3 LYS 53 - QG1 VAL 78 far 0 87 0 - 9.7-14.0 Violated in 20 structures by 4.95 A. Peak 9867 from cnoeabs.peaks (3.77, 0.61, 21.11 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.78: HA LEU 68 + QG1 VAL 78 OK 78 84 100 93 3.4-4.8 4.0/9865=86...(6) HB2 SER 58 - QG1 VAL 78 far 0 81 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 9868 from cnoeabs.peaks (4.55, 0.61, 21.11 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.98: HA LYS 77 + QG1 VAL 78 OK 91 99 100 92 5.5-5.5 481/1518=76, 9858/2.1=58...(4) HA PHE 79 + QG1 VAL 78 OK 80 81 100 99 3.5-3.8 3.0/7703=81, ~493=45...(9) Violated in 0 structures by 0.00 A. Peak 9871 from cnoeabs.peaks (6.71, 1.56, 34.35 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.97: QE TYR 102 + HB VAL 78 OK 90 90 100 100 3.5-4.9 2.2/9872=92, ~4694=76...(12) QD PHE 79 + HB VAL 78 OK 76 77 100 99 5.1-5.7 4634/3.0=60, 4648/2.1=56...(10) QE TYR 76 - HB VAL 78 far 0 92 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 9872 from cnoeabs.peaks (6.98, 1.56, 34.35 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 102 + HB VAL 78 OK 96 96 100 100 2.4-3.4 4694/2.1=83, 2.2/4625=78...(14) HZ PHE 79 - HB VAL 78 far 0 81 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 9873 from cnoeabs.peaks (6.71, 0.72, 22.14 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 102 + QG2 VAL 78 OK 97 98 100 99 4.0-5.4 4625/2.1=68, 2.2/9875=61...(10) QD PHE 79 + QG2 VAL 78 OK 90 92 100 98 4.5-4.7 4648=63, 4634/3.2=49...(13) QE TYR 76 - QG2 VAL 78 far 10 99 10 - 5.4-6.0 Violated in 11 structures by 0.06 A. Peak 9874 from cnoeabs.peaks (6.85, 0.72, 22.14 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.98: QD TYR 76 + QG2 VAL 78 OK 98 99 100 99 3.6-4.2 2.5/9860=82, 2.5/9861=81...(7) Violated in 0 structures by 0.00 A. Peak 9875 from cnoeabs.peaks (6.99, 0.72, 22.14 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 102 + QG2 VAL 78 OK 100 100 100 100 3.4-4.8 4694/2.1=90, 9872/2.1=59...(13) HZ PHE 79 - QG2 VAL 78 far 0 100 0 - 7.0-7.7 Violated in 3 structures by 0.02 A. Peak 9877 from cnoeabs.peaks (5.55, 0.61, 21.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 80 + QG1 VAL 78 OK 99 100 100 99 4.0-4.2 3.0/9864=82, 3.0/9886=69...(7) Violated in 0 structures by 0.00 A. Peak 9878 from cnoeabs.peaks (6.72, 0.61, 21.11 ppm; 4.52 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 79 + QG1 VAL 78 OK 100 100 100 100 3.5-4.1 4648/2.1=66...(18) QE TYR 102 + QG1 VAL 78 OK 99 99 100 100 4.2-4.9 2.2/4694=87, 4625/2.1=79...(11) QE TYR 76 - QG1 VAL 78 far 0 98 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 9880 from cnoeabs.peaks (6.97, 0.61, 21.11 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.84: QD TYR 102 + QG1 VAL 78 OK 84 84 100 100 3.2-4.0 4694=78, 9872/2.1=71...(16) HZ PHE 79 - QG1 VAL 78 far 0 61 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 9884 from cnoeabs.peaks (9.08, 0.72, 22.14 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: H LEU 4 + QG2 VAL 78 OK 100 100 100 100 2.0-3.4 9041/3.2=90, 10665=78...(12) H LEU 81 - QG2 VAL 78 far 0 73 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 9886 from cnoeabs.peaks (8.59, 0.61, 21.11 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.78: H LEU 80 + QG1 VAL 78 OK 71 73 100 97 4.4-4.7 4.7/7703=61, 3.8/9864=47...(9) H ILE 71 + QG1 VAL 78 OK 23 84 90 31 5.6-6.5 2117/9867=30 H ALA 124 - QG1 VAL 78 far 0 73 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 9887 from cnoeabs.peaks (9.08, 0.61, 21.11 ppm; 6.18 A): 2 out of 2 assignments used, quality = 1.00: H LEU 4 + QG1 VAL 78 OK 100 100 100 100 3.8-4.9 10665/2.1=100...(10) H LEU 81 + QG1 VAL 78 OK 72 73 100 98 5.5-5.9 4.2/9864=69, 3.6/9877=68...(6) Violated in 0 structures by 0.00 A. Peak 9888 from cnoeabs.peaks (9.22, 0.61, 21.11 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.77: H LEU 6 + QG1 VAL 78 OK 77 77 100 100 1.9-2.6 5.1/11567=74...(16) Violated in 0 structures by 0.00 A. Peak 9889 from cnoeabs.peaks (9.08, 5.17, 60.23 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 4 + HA VAL 78 OK 100 100 100 100 3.0-3.8 9041=100, 10665/3.2=62...(11) H LEU 81 - HA VAL 78 far 0 65 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 9895 from cnoeabs.peaks (4.85, 1.04, 40.18 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.57: HA ILE 5 + HB2 PHE 79 OK 57 57 100 100 2.7-5.4 9896/1.8=95...(11) Violated in 0 structures by 0.00 A. Peak 9896 from cnoeabs.peaks (4.85, 2.08, 40.18 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.77: HA ILE 5 + HB3 PHE 79 OK 77 77 100 100 3.4-5.4 3.2/9905=60, 9895/1.8=58...(12) Violated in 1 structures by 0.01 A. Peak 9898 from cnoeabs.peaks (4.13, 7.10, 130.23 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.91: HA ALA 124 + QE PHE 79 OK 80 80 100 100 3.1-3.8 2.1/10629=100, ~4646=86...(15) HA GLN 122 + QE PHE 79 OK 57 97 100 59 7.1-7.5 8307/10623=57, 9064/4661=4 HA MET 1 - QE PHE 79 far 0 80 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 9902 from cnoeabs.peaks (0.83, 1.04, 40.18 ppm; 5.14 A): 2 out of 6 assignments used, quality = 0.93: QG2 ILE 5 + HB2 PHE 79 OK 84 84 100 100 2.0-4.8 3.0/10740=71...(24) HG13 ILE 5 + HB2 PHE 79 OK 56 65 85 100 4.2-7.5 2.1/10740=78, ~4645=67...(21) QD1 LEU 64 - HB2 PHE 79 far 0 81 0 - 7.1-10.8 QG2 ILE 71 - HB2 PHE 79 far 0 90 0 - 7.4-9.6 QG2 ILE 57 - HB2 PHE 79 far 0 87 0 - 8.3-11.1 QD2 LEU 82 - HB2 PHE 79 far 0 100 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 9903 from cnoeabs.peaks (0.61, 1.04, 40.18 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 78 + HB2 PHE 79 OK 99 99 100 100 3.9-4.9 7703/4.0=93, ~4648=70...(13) QD1 ILE 5 + HB2 PHE 79 OK 84 84 100 100 2.1-6.0 ~4645=83, 9055/2.4=77...(20) QD1 ILE 18 - HB2 PHE 79 far 0 100 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 9904 from cnoeabs.peaks (1.80, 2.08, 40.18 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.98: HG12 ILE 5 + HB3 PHE 79 OK 97 97 100 100 3.1-7.4 4645/2.4=99, ~10740=92...(18) HG2 ARG 105 + HB3 PHE 79 OK 21 99 55 39 6.1-9.0 10252/4729=35, 10273/10490=5 HB3 ARG 105 - HB3 PHE 79 poor 19 73 100 26 4.8-7.4 4728/4729=23, 10272/10490=3 HB ILE 3 - HB3 PHE 79 far 0 98 0 - 8.4-11.0 HB ILE 97 - HB3 PHE 79 far 0 96 0 - 9.1-10.9 Violated in 8 structures by 0.07 A. Peak 9905 from cnoeabs.peaks (0.84, 2.08, 40.18 ppm; 4.60 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 5 + HB3 PHE 79 OK 100 100 100 100 2.1-4.5 9050/2.4=61...(29) HG13 ILE 5 + HB3 PHE 79 OK 29 97 30 100 4.2-7.6 ~10740=62, 9053/2.4=60...(21) QG2 ILE 57 - HB3 PHE 79 far 0 100 0 - 7.8-11.9 QD2 LEU 82 - HB3 PHE 79 far 0 81 0 - 8.2-10.2 QG2 VAL 22 - HB3 PHE 79 far 0 77 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 9906 from cnoeabs.peaks (0.62, 2.08, 40.18 ppm; 5.94 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 78 + HB3 PHE 79 OK 100 100 100 100 3.9-4.9 7703/4.0=90, ~4648=66...(17) QD1 ILE 5 + HB3 PHE 79 OK 97 97 100 100 3.1-5.3 10740/1.8=96...(25) QD1 ILE 18 - HB3 PHE 79 far 0 99 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 9907 from cnoeabs.peaks (0.82, 6.72, 131.81 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.62: QG2 ILE 71 + QD PHE 79 OK 62 100 85 73 6.3-7.9 9911/2.2=63...(4) QD1 LEU 64 - QD PHE 79 far 0 99 0 - 7.9-10.8 QD2 LEU 82 - QD PHE 79 far 0 97 0 - 8.9-10.8 QD1 LEU 74 - QD PHE 79 far 0 100 0 - 9.4-12.5 Violated in 20 structures by 0.97 A. Peak 9908 from cnoeabs.peaks (0.62, 6.72, 131.81 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 5 + QD PHE 79 OK 100 100 100 100 1.9-4.3 2.1/4645=100...(27) QG1 VAL 78 + QD PHE 79 OK 97 97 100 100 3.5-4.1 3.2/4634=95, 4.1/4636=92...(18) QG1 VAL 22 - QD PHE 79 poor 15 73 20 - 7.4-9.0 QD1 ILE 18 - QD PHE 79 far 0 94 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 9910 from cnoeabs.peaks (0.95, 7.10, 130.23 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.69: QD1 ILE 3 + QE PHE 79 OK 69 69 100 100 2.5-3.5 3.0/4658=98, ~4662=85...(17) HG3 LYS 53 - QE PHE 79 poor 15 62 25 - 7.0-10.8 HD3 LYS 2 - QE PHE 79 far 0 94 0 - 8.3-12.5 Violated in 0 structures by 0.00 A. Peak 9911 from cnoeabs.peaks (0.81, 7.10, 130.23 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.24: QG2 ILE 71 + QE PHE 79 OK 24 88 40 69 6.8-8.8 9907/2.2=63, ~9801=11 QD1 LEU 81 - QE PHE 79 poor 15 62 25 - 7.3-8.2 QD1 LEU 64 - QE PHE 79 far 0 94 0 - 9.7-12.5 Violated in 20 structures by 1.72 A. Peak 9912 from cnoeabs.peaks (1.52, 7.10, 130.23 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.76: QB ALA 124 + QE PHE 79 OK 76 76 100 100 1.8-2.0 4646/2.2=86, 2.1/4638=80...(14) HB2 LEU 6 - QE PHE 79 far 0 88 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 9914 from cnoeabs.peaks (1.72, 7.10, 130.23 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.65: HG3 LYS 123 + QE PHE 79 OK 65 65 100 100 4.1-4.8 2.9/4651=97...(7) HG2 ARG 118 - QE PHE 79 far 0 76 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 9915 from cnoeabs.peaks (1.84, 7.10, 130.23 ppm; 4.95 A): 4 out of 6 assignments used, quality = 1.00: HD2 LYS 123 + QE PHE 79 OK 98 98 100 100 2.1-3.1 11210=100, 1.8/4653=92...(7) HB2 LYS 77 + QE PHE 79 OK 97 98 100 99 5.1-6.0 3.0/4656=76, 3.0/9847=53...(10) HB3 LYS 77 + QE PHE 79 OK 96 97 100 99 3.6-5.2 3.0/4656=76, 3.0/9847=53...(11) HG LEU 127 + QE PHE 79 OK 80 80 100 100 4.4-5.7 2.1/10830=86, ~4666=65...(13) QE MET 121 - QE PHE 79 far 4 73 5 - 6.3-8.1 HB2 ARG 105 - QE PHE 79 far 0 83 0 - 7.9-10.6 Violated in 0 structures by 0.00 A. Peak 9917 from cnoeabs.peaks (1.93, 5.55, 54.00 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.91: HB2 LEU 81 + HA LEU 80 OK 88 90 100 98 4.3-4.7 3.8/504=92, 9943/3.0=48...(9) HB VAL 104 + HA LEU 80 OK 22 73 30 100 4.9-8.2 ~11383=66, ~11088=63...(14) HB2 LYS 65 - HA LEU 80 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 9918 from cnoeabs.peaks (1.94, 1.75, 45.67 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 104 + HB2 LEU 80 OK 99 99 100 100 2.0-5.7 2.1/11383=99...(24) HB2 LYS 65 - HB2 LEU 80 far 0 97 0 - 9.0-11.8 Violated in 1 structures by 0.01 A. Peak 9919 from cnoeabs.peaks (0.37, 1.75, 45.67 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 97 + HB2 LEU 80 OK 99 99 100 100 3.3-6.3 9924/3.1=77, 9923/3.1=72...(12) QD2 LEU 68 + HB2 LEU 80 OK 69 70 100 100 3.9-5.5 ~9922=79, ~9925=76...(11) Violated in 0 structures by 0.00 A. Peak 9920 from cnoeabs.peaks (0.60, 1.29, 45.67 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.68: QG1 VAL 78 + HB3 LEU 80 OK 68 77 100 88 4.0-5.9 9864=54, 9877/3.0=36...(6) QD1 ILE 18 - HB3 LEU 80 far 0 84 0 - 8.8-10.1 Violated in 5 structures by 0.14 A. Peak 9921 from cnoeabs.peaks (0.38, 1.29, 45.67 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 68 + HB3 LEU 80 OK 100 100 100 100 3.1-5.9 ~9922=79, ~9925=76...(12) Violated in 0 structures by 0.00 A. Peak 9922 from cnoeabs.peaks (0.50, 0.78, 27.66 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 68 + QD2 LEU 80 OK 92 99 100 93 1.8-4.0 9765=32, 9765/2.1=28...(17) Violated in 4 structures by 0.02 A. Peak 9923 from cnoeabs.peaks (0.37, 0.78, 27.66 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.92: QD1 ILE 97 + QD2 LEU 80 OK 88 99 95 93 1.7-5.0 9924/2.1=43, 10132=27...(23) QD2 LEU 68 + QD2 LEU 80 OK 34 70 55 90 1.8-5.3 2.1/9922=56, ~9925=31...(15) Violated in 5 structures by 0.04 A. Peak 9924 from cnoeabs.peaks (0.36, 0.78, 25.50 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.93: QD1 ILE 97 + QD1 LEU 80 OK 93 97 100 95 1.7-3.9 9923/2.1=45, 10132=26...(22) Violated in 0 structures by 0.00 A. Peak 9925 from cnoeabs.peaks (0.52, 0.78, 25.50 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.66: QD1 LEU 68 + QD1 LEU 80 OK 66 70 100 95 1.7-4.4 4695/9935=26...(19) Violated in 2 structures by 0.02 A. Peak 9928 from cnoeabs.peaks (5.24, 5.58, 53.87 ppm; 5.51 A): 1 out of 2 assignments used, quality = 0.66: HA GLN 83 + HA LYS 106 OK 66 73 100 90 3.4-4.7 10302/677=70...(6) HA VAL 104 - HA LYS 106 poor 18 73 100 25 6.6-6.9 ~10279=10, 10221/10283=7...(5) Violated in 0 structures by 0.00 A. Peak 9929 from cnoeabs.peaks (5.24, 1.29, 45.67 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.90: HA VAL 104 + HB3 LEU 80 OK 90 90 100 100 1.8-4.6 10815/1.8=77...(20) Violated in 0 structures by 0.00 A. Peak 9930 from cnoeabs.peaks (5.24, 0.78, 27.66 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.90: HA VAL 104 + QD2 LEU 80 OK 90 90 100 100 1.9-5.0 3.2/11091=89...(22) Violated in 1 structures by 0.01 A. Peak 9933 from cnoeabs.peaks (7.01, 0.78, 27.66 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.66: HZ PHE 120 + QD2 LEU 80 OK 66 99 100 67 4.8-7.2 2.2/9934=45...(4) Violated in 8 structures by 0.19 A. Peak 9934 from cnoeabs.peaks (7.14, 0.78, 27.66 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.98: QE PHE 93 + QD2 LEU 80 OK 91 94 100 97 2.6-4.8 2.2/9938=68...(18) QE PHE 120 + QD2 LEU 80 OK 78 96 100 82 4.5-6.4 2.2/9933=50, 4738/5.0=45...(6) Violated in 0 structures by 0.00 A. Peak 9935 from cnoeabs.peaks (6.99, 0.78, 25.50 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 102 + QD1 LEU 80 OK 100 100 100 100 3.1-5.4 2.5/11694=72...(11) HZ PHE 79 - QD1 LEU 80 far 0 100 0 - 9.7-11.0 Violated in 7 structures by 0.05 A. Peak 9938 from cnoeabs.peaks (7.21, 0.78, 27.66 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 93 + QD2 LEU 80 OK 95 98 100 97 3.0-5.8 2.2/9934=45...(14) HE21 GLN 83 - QD2 LEU 80 far 0 81 0 - 9.9-13.7 Violated in 3 structures by 0.03 A. Peak 9939 from cnoeabs.peaks (9.23, 5.55, 54.00 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 6 + HA LEU 80 OK 99 99 100 100 3.5-4.1 9065=99, 9071/504=58...(7) Violated in 0 structures by 0.00 A. Peak 9940 from cnoeabs.peaks (9.22, 0.78, 25.50 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.75: H LEU 6 + QD1 LEU 80 OK 75 77 100 97 4.7-6.3 9941/7715=73...(7) Violated in 8 structures by 0.12 A. Peak 9943 from cnoeabs.peaks (8.61, 1.92, 45.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.87: H LEU 80 + HB2 LEU 81 OK 87 90 100 97 4.9-6.2 4.7/1536=86, 3.0/9917=58...(7) Violated in 0 structures by 0.00 A. Peak 9944 from cnoeabs.peaks (7.13, 1.92, 45.78 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 120 + HB2 LEU 81 OK 100 100 100 100 1.7-3.5 4732/3.1=83, 4731=73...(18) QE PHE 93 - HB2 LEU 81 far 0 100 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 9945 from cnoeabs.peaks (7.12, 1.36, 45.78 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.61: QE PHE 120 + HB3 LEU 81 OK 61 61 100 100 1.7-3.8 11385/3.0=44, ~4716=43...(16) QE PHE 93 - HB3 LEU 81 far 0 65 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 9946 from cnoeabs.peaks (7.01, 1.36, 45.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.94: HZ PHE 120 + HB3 LEU 81 OK 94 94 100 100 3.9-6.0 2.2/9945=99, ~4731=92...(17) Violated in 0 structures by 0.00 A. Peak 9947 from cnoeabs.peaks (8.11, 0.71, 25.86 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.98: H ALA 113 + QD2 LEU 81 OK 89 90 100 99 5.1-5.8 3.0/9956=78...(8) H VAL 117 + QD2 LEU 81 OK 80 81 100 99 3.3-3.8 4.4/11636=64...(11) Violated in 0 structures by 0.00 A. Peak 9948 from cnoeabs.peaks (7.99, 0.71, 25.86 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.69: H ILE 116 + QD2 LEU 81 OK 69 70 100 100 4.3-5.0 3.9/11636=95...(8) Violated in 0 structures by 0.00 A. Peak 9949 from cnoeabs.peaks (7.13, 0.71, 25.86 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 120 + QD2 LEU 81 OK 100 100 100 100 3.6-4.2 4732/2.1=99, 4731/3.1=87...(16) QE PHE 93 - QD2 LEU 81 far 0 100 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 9952 from cnoeabs.peaks (5.18, 1.92, 45.78 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 7 + HB2 LEU 81 OK 100 100 100 100 2.0-4.1 11616=97, 3.2/11619=86...(16) HA VAL 78 - HB2 LEU 81 far 0 65 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 9953 from cnoeabs.peaks (5.18, 1.36, 45.78 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 7 + HB3 LEU 81 OK 100 100 100 100 2.0-3.4 11616/1.8=90...(16) HA VAL 78 - HB3 LEU 81 far 0 84 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 9954 from cnoeabs.peaks (5.17, 0.79, 24.93 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.84: HA ILE 7 + QD1 LEU 81 OK 84 84 100 100 4.7-5.2 3.8/11388=90...(11) HA VAL 78 - QD1 LEU 81 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 9955 from cnoeabs.peaks (5.17, 0.71, 25.86 ppm; 5.44 A): 1 out of 2 assignments used, quality = 0.96: HA ILE 7 + QD2 LEU 81 OK 96 96 100 100 3.2-3.8 3.8/11389=91...(10) HA VAL 78 - QD2 LEU 81 far 0 97 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 9956 from cnoeabs.peaks (3.79, 0.71, 25.86 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.88: HA ALA 113 + QD2 LEU 81 OK 88 90 100 99 3.2-4.0 11606/2.1=78...(11) HA LYS 115 - QD2 LEU 81 far 0 90 0 - 6.0-6.5 HB2 SER 58 - QD2 LEU 81 far 0 94 0 - 8.6-9.9 Violated in 2 structures by 0.00 A. Peak 9958 from cnoeabs.peaks (0.04, 0.79, 24.93 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 116 + QD1 LEU 81 OK 96 97 100 99 1.8-2.5 2.1/11637=73...(22) Violated in 0 structures by 0.00 A. Peak 9959 from cnoeabs.peaks (0.04, 0.71, 25.86 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 116 + QD2 LEU 81 OK 100 100 100 100 4.0-4.7 9958/2.1=89...(21) Violated in 13 structures by 0.11 A. Peak 9960 from cnoeabs.peaks (0.02, 1.36, 45.78 ppm; 6.20 A): 0 out of 0 assignments used, 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 = 1.00: QG2 ILE 116 + HB2 LEU 81 OK 100 100 100 100 3.2-4.9 9958/3.1=97, 9959/3.1=97...(17) Violated in 0 structures by 0.00 A. Peak 9964 from cnoeabs.peaks (1.43, 1.62, 44.22 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.94: HG LEU 80 + HB2 LEU 82 OK 85 92 95 98 4.2-7.7 11395/3.1=61...(17) HB3 GLN 83 + HB2 LEU 82 OK 59 90 95 70 5.3-6.7 4.0/519=67, 10007/11186=7 HB3 LYS 61 - HB2 LEU 82 far 0 100 0 - 8.3-12.0 Violated in 11 structures by 0.10 A. Peak 9965 from cnoeabs.peaks (0.89, 1.74, 44.22 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.98: QD2 LEU 90 + HB3 LEU 82 OK 86 97 100 89 2.4-5.1 9967/1.8=38...(13) QG2 VAL 104 + HB3 LEU 82 OK 66 99 75 89 4.2-6.6 9967/1.8=39...(12) QD1 LEU 90 + HB3 LEU 82 OK 66 81 95 86 1.9-7.5 ~9967=27, 11306/4.5=23...(14) Violated in 1 structures by 0.03 A. Peak 9966 from cnoeabs.peaks (1.39, 1.74, 44.22 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.79: HG3 LYS 106 + HB3 LEU 82 OK 79 94 90 93 3.4-9.3 3.9/9976=76, ~10287=30...(7) QB ALA 113 - HB3 LEU 82 poor 16 70 100 23 6.0-7.1 6450/9976=10, 1551/520=9 HG LEU 14 - HB3 LEU 82 far 4 77 5 - 7.6-9.3 Violated in 17 structures by 0.78 A. Peak 9967 from cnoeabs.peaks (0.88, 1.62, 44.22 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.96: QG2 VAL 104 + HB2 LEU 82 OK 80 100 95 85 3.0-7.2 11089/9964=22...(13) QD2 LEU 90 + HB2 LEU 82 OK 78 100 95 82 2.6-5.8 9965/1.8=27...(14) QG2 VAL 107 - HB2 LEU 82 far 0 77 0 - 6.5-7.7 QG2 VAL 117 - HB2 LEU 82 far 0 65 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 9970 from cnoeabs.peaks (2.26, 0.82, 23.86 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.67: HB3 ASN 8 + QD2 LEU 82 OK 67 77 90 97 2.6-6.3 1.8/9971=82, 4.0/9098=30...(12) HG3 GLU 92 - QD2 LEU 82 far 0 97 0 - 6.8-10.3 HG2 GLU 89 - QD2 LEU 82 far 0 99 0 - 7.7-11.4 HG2 GLU 103 - QD2 LEU 82 far 0 100 0 - 9.2-12.3 HG2 GLU 69 - QD2 LEU 82 far 0 77 0 - 9.9-12.7 Violated in 2 structures by 0.21 A. Peak 9971 from cnoeabs.peaks (2.88, 0.82, 23.86 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.94: HB2 ASN 8 + QD2 LEU 82 OK 94 98 100 96 1.8-5.0 1.8/9970=66...(11) HB3 ASN 59 - QD2 LEU 82 far 0 77 0 - 7.9-11.9 Violated in 2 structures by 0.09 A. Peak 9975 from cnoeabs.peaks (5.58, 1.62, 44.22 ppm; 5.88 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 106 + HB2 LEU 82 OK 100 100 100 100 2.1-6.6 9974/1543=94...(9) Violated in 1 structures by 0.03 A. Peak 9976 from cnoeabs.peaks (5.57, 1.74, 44.22 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.95: HA LYS 106 + HB3 LEU 82 OK 95 96 100 99 3.2-6.6 9974/1544=82...(10) Violated in 2 structures by 0.08 A. Peak 9977 from cnoeabs.peaks (5.55, 0.82, 23.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.91: HA LEU 80 + QD2 LEU 82 OK 91 99 95 97 4.9-7.7 4.3/11395=89...(8) Violated in 2 structures by 0.08 A. Peak 9980 from cnoeabs.peaks (5.90, 0.82, 23.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: HA ASN 8 + QD2 LEU 82 OK 98 98 100 100 4.2-7.2 3.0/9971=100...(9) Violated in 2 structures by 0.06 A. Peak 9981 from cnoeabs.peaks (7.16, 0.82, 23.86 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.56: QE PHE 93 + QD2 LEU 82 OK 56 57 100 98 1.8-5.1 2.2/9983=61...(13) QE PHE 120 - QD2 LEU 82 far 0 61 0 - 6.1-7.4 Violated in 2 structures by 0.07 A. Peak 9982 from cnoeabs.peaks (7.08, 0.82, 23.86 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.95: HZ PHE 93 + QD2 LEU 82 OK 95 100 95 100 3.3-7.1 2.2/9981=91, 3.8/9983=64...(11) Violated in 2 structures by 0.18 A. Peak 9983 from cnoeabs.peaks (7.22, 0.82, 23.86 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 93 + QD2 LEU 82 OK 100 100 100 100 1.9-3.9 2.2/9981=80...(11) Violated in 0 structures by 0.00 A. Peak 9986 from cnoeabs.peaks (8.61, 0.82, 23.86 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.97: H LYS 94 + QD2 LEU 82 OK 97 98 100 99 4.5-6.1 10100/2.1=93...(5) H GLN 85 - QD2 LEU 82 far 5 99 5 - 6.0-9.0 H THR 108 - QD2 LEU 82 far 5 96 5 - 6.5-10.1 H LEU 80 - QD2 LEU 82 far 0 90 0 - 6.6-8.8 Violated in 19 structures by 0.66 A. Peak 9990 from cnoeabs.peaks (8.55, 5.26, 54.59 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + HA GLN 83 OK 100 100 100 100 2.2-3.4 10302=100, 6545/10305=63...(9) Violated in 0 structures by 0.00 A. Peak 9991 from cnoeabs.peaks (4.75, 2.21, 29.87 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.97: HA THR 9 + HB2 GLN 83 OK 97 97 100 100 2.9-4.0 3.0/9995=86...(10) HA ASP 109 - HB2 GLN 83 far 0 96 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 9992 from cnoeabs.peaks (6.18, 2.21, 29.87 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.94: HG1 THR 9 + HB2 GLN 83 OK 94 99 95 100 2.6-6.4 2.8/9995=80, 9993/1.8=60...(10) Violated in 1 structures by 0.08 A. Peak 9993 from cnoeabs.peaks (6.19, 1.42, 29.87 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.85: HG1 THR 9 + HB3 GLN 83 OK 85 90 95 100 3.9-7.5 9992/1.8=90, 2.8/9994=78...(9) Violated in 1 structures by 0.10 A. Peak 9994 from cnoeabs.peaks (4.32, 1.42, 29.87 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.99: HB THR 9 + HB3 GLN 83 OK 99 99 100 100 3.8-5.3 9110/1.8=94, 9109=65...(12) HA GLN 85 - HB3 GLN 83 far 0 65 0 - 7.5-8.4 Violated in 1 structures by 0.01 A. Peak 9995 from cnoeabs.peaks (4.31, 2.21, 29.87 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.89: HB THR 9 + HB2 GLN 83 OK 89 90 100 100 2.8-4.3 9110=77, 2.8/9992=50...(13) Violated in 5 structures by 0.03 A. Peak 10000 from cnoeabs.peaks (4.79, 2.34, 33.72 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.95: HA THR 108 + HG2 GLN 83 OK 95 97 100 98 2.8-4.7 10001/1.8=70...(10) Violated in 0 structures by 0.00 A. Peak 10001 from cnoeabs.peaks (4.78, 2.12, 33.72 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: HA THR 108 + HG3 GLN 83 OK 100 100 100 100 3.1-4.9 10000/1.8=85...(10) Violated in 0 structures by 0.00 A. Peak 10004 from cnoeabs.peaks (0.88, 5.26, 54.59 ppm; 4.32 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 90 + HA GLN 83 OK 96 99 100 97 3.0-3.8 10074=80, 10976/3.6=53...(9) QG2 VAL 107 + HA GLN 83 OK 94 94 100 100 3.4-4.5 10305=91, 2.1/10005=71...(21) QD1 LEU 14 - HA GLN 83 far 7 65 10 - 5.7-7.1 QG2 VAL 104 - HA GLN 83 far 0 97 0 - 6.1-9.5 QG2 THR 9 - HA GLN 83 far 0 81 0 - 6.2-7.9 QG2 VAL 117 - HA GLN 83 far 0 87 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 10005 from cnoeabs.peaks (0.75, 5.26, 54.59 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.73: QG1 VAL 107 + HA GLN 83 OK 73 73 100 100 1.8-2.3 2.1/10305=81...(21) QD2 LEU 14 - HA GLN 83 poor 15 73 20 - 5.5-6.5 QG2 ILE 7 - HA GLN 83 far 0 100 0 - 6.4-7.2 QD1 ILE 15 - HA GLN 83 far 0 70 0 - 9.4-11.4 HG13 ILE 18 - HA GLN 83 far 0 65 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10006 from cnoeabs.peaks (0.86, 1.42, 29.87 ppm; 4.44 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 14 + HB3 GLN 83 OK 98 100 100 98 3.6-5.2 ~11007=45, 11517=44...(14) QG2 VAL 107 + HB3 GLN 83 OK 87 87 100 100 2.3-4.5 10305/3.0=57...(19) QG2 THR 9 + HB3 GLN 83 OK 68 97 70 100 4.6-6.4 2.1/9994=58, ~9995=57...(12) QG2 VAL 117 - HB3 GLN 83 far 9 94 10 - 5.8-6.8 QG2 ILE 57 - HB3 GLN 83 far 0 73 0 - 8.2-9.9 QG2 ILE 5 - HB3 GLN 83 far 0 77 0 - 9.2-10.3 QG2 ILE 15 - HB3 GLN 83 far 0 94 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 10007 from cnoeabs.peaks (0.75, 1.42, 29.87 ppm; 4.22 A): 3 out of 5 assignments used, quality = 0.99: QG1 VAL 107 + HB3 GLN 83 OK 89 90 100 100 1.9-2.7 10005/3.0=56...(24) QD2 LEU 14 + HB3 GLN 83 OK 88 90 100 98 3.9-4.9 11007/3.0=58...(13) QG2 ILE 7 + HB3 GLN 83 OK 44 96 85 54 4.8-6.0 9108/9994=33...(4) QD1 ILE 7 - HB3 GLN 83 far 0 77 0 - 7.0-9.1 QD1 ILE 15 - HB3 GLN 83 far 0 87 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 10008 from cnoeabs.peaks (0.87, 2.21, 29.87 ppm; 4.09 A): 4 out of 7 assignments used, quality = 1.00: QG2 THR 9 + HB2 GLN 83 OK 94 100 95 99 4.2-5.6 2.1/9995=70, 3.0/9992=47...(13) QD1 LEU 14 + HB2 GLN 83 OK 93 97 100 96 4.0-5.4 11517/1.8=41, ~11007=38...(13) QG2 VAL 107 + HB2 GLN 83 OK 70 100 70 100 3.7-5.8 10305/3.0=60, ~10315=42...(18) QD2 LEU 90 + HB2 GLN 83 OK 35 73 85 57 5.0-5.9 10074/3.0=33...(5) QG2 VAL 117 - HB2 GLN 83 far 0 100 0 - 6.5-8.0 QG2 VAL 104 - HB2 GLN 83 far 0 65 0 - 7.5-11.2 QG2 ILE 15 - HB2 GLN 83 far 0 61 0 - 8.8-9.9 Violated in 1 structures by 0.01 A. Peak 10009 from cnoeabs.peaks (0.75, 2.21, 29.87 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.99: QG1 VAL 107 + HB2 GLN 83 OK 89 90 100 100 3.2-3.9 10005/3.0=53, ~10315=42...(20) QD2 LEU 14 + HB2 GLN 83 OK 88 90 100 98 3.3-4.6 11007/3.0=55...(14) QG2 ILE 7 + HB2 GLN 83 OK 43 96 75 61 5.0-5.9 9108/9110=38...(5) QD1 ILE 15 - HB2 GLN 83 far 0 87 0 - 7.1-9.0 QD1 ILE 7 - HB2 GLN 83 far 0 77 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 10010 from cnoeabs.peaks (0.85, 2.34, 33.72 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.96: QD1 LEU 14 + HG2 GLN 83 OK 88 94 95 98 4.8-6.1 2.1/11008=67, ~11007=64...(12) QG2 VAL 107 + HG2 GLN 83 OK 65 65 100 99 2.2-5.2 2.1/11020=41...(19) QG2 THR 9 - HG2 GLN 83 far 0 84 0 - 6.4-7.7 QG2 VAL 117 - HG2 GLN 83 far 0 77 0 - 7.6-9.0 QG2 ILE 57 - HG2 GLN 83 far 0 92 0 - 9.9-11.7 Violated in 2 structures by 0.01 A. Peak 10011 from cnoeabs.peaks (0.74, 2.34, 33.72 ppm; 4.57 A): 0 out of 4 assignments used, quality = 0.00: QG2 ILE 7 - HG2 GLN 83 far 0 96 0 - 7.1-8.1 HG13 ILE 18 - HG2 GLN 83 far 0 97 0 - 9.6-11.1 QG1 VAL 117 - HG2 GLN 83 far 0 77 0 - 9.6-10.9 QG2 ILE 18 - HG2 GLN 83 far 0 65 0 - 9.7-10.7 Violated in 20 structures by 2.43 A. Peak 10012 from cnoeabs.peaks (0.86, 2.12, 33.72 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 14 + HG3 GLN 83 OK 93 100 95 98 3.2-5.6 2.1/11007=78, ~11008=41...(11) QG2 VAL 107 + HG3 GLN 83 OK 86 87 100 99 2.0-4.4 2.1/6552=43...(20) QG2 THR 9 - HG3 GLN 83 far 0 97 0 - 5.8-7.4 QG2 VAL 117 - HG3 GLN 83 far 0 94 0 - 6.5-8.6 QG2 ILE 57 - HG3 GLN 83 far 0 73 0 - 9.3-10.9 QG2 ILE 15 - HG3 GLN 83 far 0 94 0 - 9.7-11.4 Violated in 2 structures by 0.00 A. Peak 10013 from cnoeabs.peaks (0.74, 2.12, 33.72 ppm; 3.73 A): 0 out of 2 assignments used, quality = 0.00: QG2 ILE 7 - HG3 GLN 83 far 0 100 0 - 6.2-7.6 HG13 ILE 18 - HG3 GLN 83 far 0 84 0 - 8.0-10.8 Violated in 20 structures by 2.83 A. Peak 10024 from cnoeabs.peaks (0.89, 2.59, 43.77 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 90 + HB2 ASP 84 OK 98 98 100 100 1.8-3.1 11571=65, 10026/3.0=57...(10) QD1 LEU 90 + HB2 ASP 84 OK 76 77 100 99 2.7-4.6 11570/1.8=58...(10) QG2 VAL 104 - HB2 ASP 84 far 0 99 0 - 7.1-10.1 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (0.88, 2.66, 43.77 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 90 + HB3 ASP 84 OK 99 99 100 100 1.9-3.4 11571/1.8=71...(13) QG2 VAL 107 - HB3 ASP 84 far 0 94 0 - 6.7-8.6 QG2 VAL 104 - HB3 ASP 84 far 0 97 0 - 7.6-10.7 QG2 THR 9 - HB3 ASP 84 far 0 81 0 - 8.2-10.7 QD1 LEU 14 - HB3 ASP 84 far 0 65 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 10026 from cnoeabs.peaks (0.88, 4.50, 54.02 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 90 + HA ASP 84 OK 100 100 100 100 3.7-4.0 10025/3.0=52...(14) QG2 VAL 107 - HA ASP 84 far 0 77 0 - 5.8-7.4 QG2 VAL 104 - HA ASP 84 far 0 100 0 - 8.9-11.5 Violated in 3 structures by 0.01 A. Peak 10027 from cnoeabs.peaks (7.18, 4.50, 54.02 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.26: HE21 GLN 83 + HA ASP 84 OK 26 65 100 39 2.5-5.7 ~530=15, ~10817=15...(4) HE22 GLN 83 - HA ASP 84 poor 13 70 50 38 3.2-7.2 ~10817=16, ~530=15, 530/2.9=12 Violated in 11 structures by 0.42 A. Peak 10030 from cnoeabs.peaks (1.25, 4.33, 56.59 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.94: QG2 THR 108 + HA GLN 85 OK 94 99 100 94 2.0-3.6 10331=64, 11122/3.0=38...(7) Violated in 0 structures by 0.00 A. Peak 10037 from cnoeabs.peaks (8.20, 2.93, 40.96 ppm; 6.05 A): 1 out of 2 assignments used, quality = 0.59: H GLU 89 + HB2 ASP 86 OK 59 61 100 95 2.5-4.7 10071/3.0=46...(9) H ASP 84 - HB2 ASP 86 lone 1 100 30 2 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 10044 from cnoeabs.peaks (2.28, 2.93, 40.96 ppm; 5.64 A): 3 out of 5 assignments used, quality = 0.92: HG2 GLU 89 + HB2 ASP 86 OK 69 70 100 99 2.6-5.7 10048/1.8=88...(8) HG2 GLU 87 + HB2 ASP 86 OK 51 77 90 73 4.5-7.8 4.9/7742=68, 3.0/9309=8 HG3 GLU 87 + HB2 ASP 86 OK 46 77 80 74 4.3-8.2 4.9/7742=68...(3) HG3 GLU 91 - HB2 ASP 86 far 5 97 5 - 7.1-11.0 HG3 GLU 92 - HB2 ASP 86 far 0 77 0 - 7.4-10.2 Violated in 0 structures by 0.00 A. Peak 10048 from cnoeabs.peaks (2.27, 2.57, 40.96 ppm; 5.09 A): 1 out of 3 assignments used, quality = 0.83: HG2 GLU 89 + HB3 ASP 86 OK 83 90 100 93 1.9-5.0 11302/1.8=50, ~11303=44...(7) HG3 GLU 92 - HB3 ASP 86 far 0 94 0 - 6.8-10.1 HG3 GLU 91 - HB3 ASP 86 far 0 84 0 - 7.3-10.3 Violated in 0 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (2.02, 2.57, 40.96 ppm; 4.33 A): 3 out of 4 assignments used, quality = 0.88: HB2 GLU 89 + HB3 ASP 86 OK 63 70 100 91 1.9-5.2 3.0/10048=49...(8) HB3 GLU 89 + HB3 ASP 86 OK 56 70 90 90 3.5-6.6 3.0/10048=49...(7) HB3 GLN 85 + HB3 ASP 86 OK 29 70 70 59 4.0-6.7 4.6/1571=54, 9309/1.8=9 HB3 GLU 87 - HB3 ASP 86 far 7 70 10 - 5.5-7.0 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.89, 4.04, 58.52 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 90 + HA GLU 87 OK 99 99 100 100 2.4-4.9 11573=74, 10056/5704=64...(12) QD1 LEU 90 + HA GLU 87 OK 69 70 100 99 2.2-5.2 2.1/11573=60...(12) QG2 VAL 107 - HA GLU 87 far 0 65 0 - 7.9-9.8 QG2 VAL 104 - HA GLU 87 far 0 100 0 - 8.7-10.9 Violated in 1 structures by 0.00 A. Peak 10055 from cnoeabs.peaks (0.87, 2.04, 29.57 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.55: QG2 VAL 104 + HB3 GLU 98 OK 41 49 90 94 3.0-5.6 11404/1.8=41...(9) QD2 LEU 90 + HB3 GLU 87 OK 23 96 25 97 3.7-7.2 10056/1.8=68...(13) QD2 LEU 90 - HB3 GLN 85 far 0 66 0 - 6.2-7.5 QG2 VAL 107 - HB3 GLN 85 far 0 69 0 - 6.7-9.3 QG2 VAL 107 - HB3 GLU 87 far 0 98 0 - 7.1-11.0 QD2 LEU 90 - HB3 GLU 98 far 0 52 0 - 8.5-10.4 QD1 LEU 14 - HB3 GLN 85 far 0 49 0 - 9.3-11.6 Violated in 15 structures by 0.40 A. Peak 10056 from cnoeabs.peaks (0.88, 2.09, 29.57 ppm; 3.39 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 90 - HB2 GLU 87 poor 18 100 20 89 3.7-7.0 11573/5704=43...(11) QG2 VAL 107 - HB2 GLU 87 far 0 81 0 - 8.0-11.7 QG2 VAL 104 - HB2 GLU 87 far 0 100 0 - 9.5-12.1 Violated in 20 structures by 2.35 A. Peak 10057 from cnoeabs.peaks (0.88, 2.29, 36.01 ppm; 3.94 A): 0 out of 6 assignments used, quality = 0.00: QG2 VAL 107 - HG2 GLU 111 far 7 67 10 - 5.2-8.0 QD2 LEU 90 - HG3 GLU 87 far 5 100 5 - 5.3-7.7 QD2 LEU 90 - HG2 GLU 87 far 0 100 0 - 5.5-7.6 QG2 VAL 117 - HG2 GLU 111 far 0 57 0 - 7.4-9.7 QG2 VAL 107 - HG2 GLU 87 far 0 81 0 - 8.8-12.0 QG2 VAL 107 - HG3 GLU 87 far 0 81 0 - 9.6-12.4 Violated in 20 structures by 1.52 A. Peak 10072 from cnoeabs.peaks (5.57, 0.88, 24.74 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.92: HA LYS 106 + QD2 LEU 90 OK 92 92 100 100 2.1-3.6 3.6/11578=69...(22) Violated in 0 structures by 0.00 A. Peak 10073 from cnoeabs.peaks (7.21, 0.88, 24.74 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.78: QD PHE 93 + QD2 LEU 90 OK 71 94 100 76 4.3-6.1 2.4/10089=31, 4668=28...(7) HE21 GLN 83 + QD2 LEU 90 OK 25 90 45 61 5.0-7.4 5.9/10074=40...(6) HE22 GLN 83 - QD2 LEU 90 poor 18 87 35 58 6.1-8.4 5.9/10074=40...(6) Violated in 4 structures by 0.01 A. Peak 10074 from cnoeabs.peaks (5.26, 0.88, 24.74 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.95: HA GLN 83 + QD2 LEU 90 OK 95 100 100 95 3.0-3.8 3.6/10976=61, 10004=50...(9) HA LEU 81 - QD2 LEU 90 far 0 94 0 - 6.3-7.6 Violated in 0 structures by 0.00 A. Peak 10082 from cnoeabs.peaks (2.06, 4.34, 60.45 ppm; 5.09 A): 4 out of 10 assignments used, quality = 1.00: HB2 GLU 92 + HA PHE 93 OK 100 100 100 100 4.1-4.8 581/3.0=98, ~582=73...(11) HB3 GLU 98 + HA SER 99 OK 99 99 100 100 4.7-5.5 7812/2.9=95, ~630=62...(7) HB2 LYS 94 + HA PHE 93 OK 67 77 95 91 5.5-6.6 1619/3.6=57, 4.4/8205=54...(10) HB3 GLN 100 + HA SER 99 OK 50 95 85 61 5.4-6.6 1665/3.6=43, 631/2.9=19, ~633=15 HB3 GLU 89 - HA PHE 93 far 8 77 10 - 6.5-9.9 HB3 GLU 98 - HA PHE 93 far 0 100 0 - 7.1-8.1 HB3 GLU 91 - HA PHE 93 far 0 81 0 - 7.4-8.0 HB2 GLU 89 - HA PHE 93 far 0 77 0 - 7.6-9.4 HB3 GLN 100 - HA PHE 93 far 0 97 0 - 8.3-11.3 HB2 LYS 94 - HA SER 99 far 0 75 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 10084 from cnoeabs.peaks (1.67, 4.34, 60.45 ppm; 4.60 A): 2 out of 7 assignments used, quality = 0.99: HD2 LYS 96 + HA PHE 93 OK 94 94 100 100 3.1-4.8 3.4/8208=78, 3.4/8210=72...(12) HD3 LYS 96 + HA PHE 93 OK 89 90 100 100 2.1-4.2 3.4/8208=78, 3.4/8210=72...(12) HG3 ARG 95 - HA PHE 93 far 15 99 15 - 4.3-7.6 HD2 LYS 65 - HA PHE 93 far 0 70 0 - 6.4-11.3 HG3 ARG 95 - HA SER 99 far 0 98 0 - 6.5-8.6 HD2 LYS 96 - HA SER 99 far 0 92 0 - 7.7-9.1 HD3 LYS 96 - HA SER 99 far 0 87 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 10085 from cnoeabs.peaks (1.56, 4.34, 60.45 ppm; 5.39 A): 1 out of 5 assignments used, quality = 0.98: HG3 LYS 96 + HA PHE 93 OK 98 98 100 100 1.8-5.1 2.9/8208=98, 11309=97...(10) HG2 LYS 65 - HA PHE 93 far 0 77 0 - 7.0-10.5 HD2 LYS 106 - HA PHE 93 far 0 100 0 - 7.2-12.8 HG3 LYS 96 - HA SER 99 far 0 96 0 - 7.5-9.9 HD3 LYS 106 - HA PHE 93 far 0 100 0 - 8.2-12.7 Violated in 0 structures by 0.00 A. Peak 10086 from cnoeabs.peaks (1.44, 4.34, 60.45 ppm; 6.20 A): 1 out of 4 assignments used, quality = 1.00: HG2 LYS 96 + HA PHE 93 OK 100 100 100 100 2.7-5.3 2.9/8208=100...(9) HG LEU 80 - HA PHE 93 far 10 100 10 - 7.0-10.2 HB3 LYS 61 - HA PHE 93 lone 1 96 40 2 6.2-9.0 HG2 LYS 96 - HA SER 99 far 0 99 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 10087 from cnoeabs.peaks (2.96, 4.34, 60.45 ppm; 5.06 A): 0 out of 2 assignments used, quality = 0.00: HE2 LYS 106 - HA PHE 93 far 0 98 0 - 8.6-13.2 HE3 LYS 106 - HA PHE 93 far 0 99 0 - 9.4-12.5 Violated in 20 structures by 4.30 A. Peak 10088 from cnoeabs.peaks (0.89, 3.29, 38.99 ppm; 5.42 A): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 90 + HB2 PHE 93 OK 90 99 95 95 4.2-7.0 5781/8187=71...(7) QG2 VAL 104 + HB2 PHE 93 OK 88 100 90 98 4.5-7.1 ~10235=64, 4668/2.4=49...(9) QD1 LEU 90 + HB2 PHE 93 OK 43 70 65 94 3.9-7.8 3.9/8187=65, ~10073=38...(8) Violated in 0 structures by 0.00 A. Peak 10089 from cnoeabs.peaks (0.89, 3.04, 38.99 ppm; 4.76 A): 3 out of 4 assignments used, quality = 1.00: QG2 VAL 104 + HB3 PHE 93 OK 96 100 100 96 3.8-6.2 2.1/10235=66...(12) QD2 LEU 90 + HB3 PHE 93 OK 89 99 100 90 4.2-5.7 5781/8188=62...(9) QD1 LEU 90 + HB3 PHE 93 OK 31 70 50 89 2.7-7.0 3.9/8188=55, ~10073=30...(10) QG2 VAL 107 - HB3 PHE 93 far 0 65 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 10090 from cnoeabs.peaks (0.77, 3.29, 38.99 ppm; 5.66 A): 3 out of 5 assignments used, quality = 0.98: QD1 LEU 82 + HB2 PHE 93 OK 92 92 100 100 2.0-5.2 11398/2.4=85, ~9983=73...(7) QD2 LEU 80 + HB2 PHE 93 OK 55 96 60 97 4.4-8.9 9938/2.4=77, 9934/4.4=33...(10) QD1 LEU 80 + HB2 PHE 93 OK 53 97 60 92 5.0-8.4 ~9938=60, 11092/10088=29...(9) QD2 LEU 64 - HB2 PHE 93 poor 17 77 30 72 6.0-9.3 9693/4.4=53...(5) QG1 VAL 107 - HB2 PHE 93 far 0 99 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (0.79, 4.34, 60.45 ppm; 6.20 A): 4 out of 7 assignments used, quality = 0.95: QD1 LEU 82 + HA PHE 93 OK 76 77 100 98 4.0-6.1 10100/3.6=85...(9) QD2 LEU 80 + HA PHE 93 OK 50 70 80 91 5.5-8.5 9938/3.7=48...(13) QD1 LEU 80 + HA PHE 93 OK 36 65 80 69 5.9-8.4 4667/3.7=20, ~10094=19...(8) QD2 LEU 64 + HA PHE 93 OK 29 92 40 79 6.3-9.2 9693/5.6=63, 4685/7.2=20...(5) QD2 LEU 80 - HA SER 99 far 0 67 0 - 7.8-10.9 QD1 LEU 80 - HA SER 99 far 0 63 0 - 8.9-10.9 QD1 LEU 82 - HA SER 99 far 0 75 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 10092 from cnoeabs.peaks (0.78, 7.22, 131.64 ppm; 5.10 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 82 + QD PHE 93 OK 93 93 100 100 1.8-3.4 11398=100, 2.1/9983=91...(13) QD2 LEU 80 + QD PHE 93 OK 91 92 100 99 3.0-5.8 9938=87, 9923/11312=45...(13) QD1 LEU 80 + QD PHE 93 OK 89 91 100 98 3.2-5.8 2.1/9938=72...(12) QD2 LEU 64 + QD PHE 93 OK 88 93 95 100 4.0-6.8 9693/2.2=93, ~9692=65...(15) QG1 VAL 107 - QD PHE 93 far 0 60 0 - 6.8-9.3 QD1 LEU 81 - QD PHE 93 far 0 84 0 - 8.3-9.4 QD1 ILE 7 - QD PHE 93 far 0 74 0 - 8.8-11.0 QD1 ILE 15 - QD PHE 93 far 0 64 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 10093 from cnoeabs.peaks (0.89, 7.22, 131.64 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.99: QG2 VAL 104 + QD PHE 93 OK 92 92 100 100 2.9-5.2 11091/9938=80, ~10235=72...(8) QD2 LEU 90 + QD PHE 93 OK 82 90 100 91 4.3-6.1 10073=60, 10089/2.4=40...(6) QD1 LEU 90 + QD PHE 93 OK 60 67 100 89 2.8-7.7 2.1/10073=60, ~10089=32...(6) Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (0.76, 3.04, 38.99 ppm; 5.71 A): 3 out of 7 assignments used, quality = 0.98: QD1 LEU 82 + HB3 PHE 93 OK 80 81 100 99 1.9-3.9 ~9983=74, 11398/2.4=71...(10) QD2 LEU 80 + HB3 PHE 93 OK 75 87 90 95 4.1-7.8 9938/2.4=68, 9934/4.4=29...(13) QD1 LEU 80 + HB3 PHE 93 OK 65 90 80 91 4.6-7.9 ~9938=61, 11092/10089=33...(9) QD2 LEU 64 - HB3 PHE 93 poor 15 61 40 61 5.9-9.0 9693/4.4=39, ~4740=15...(5) QD1 LEU 45 - HB2 PHE 51 far 11 75 15 - 5.1-9.9 QG1 VAL 107 - HB3 PHE 93 far 0 100 0 - 7.5-9.9 QG2 ILE 54 - HB2 PHE 51 far 0 50 0 - 7.7-11.7 Violated in 0 structures by 0.00 A. Peak 10101 from cnoeabs.peaks (0.91, 3.62, 60.08 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.39: QD1 LEU 90 + HA LYS 94 OK 39 100 50 78 3.6-7.6 ~10096=29, 10982/4.7=17...(13) Violated in 17 structures by 1.80 A. Peak 10102 from cnoeabs.peaks (0.78, 3.62, 60.08 ppm; 3.89 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 82 + HA LYS 94 OK 99 100 100 99 2.6-4.6 11491=65, 10100/3.0=57...(10) QD2 LEU 80 + HA LYS 94 OK 46 99 70 65 3.4-7.4 9923/10104=31...(6) QD1 LEU 80 - HA LYS 94 poor 16 99 30 55 4.2-6.4 9924/10125=31...(6) QD2 LEU 64 - HA LYS 94 far 0 100 0 - 6.0-8.9 QG1 VAL 107 - HA LYS 94 far 0 70 0 - 7.5-10.1 QD1 LEU 81 - HA LYS 94 far 0 94 0 - 8.6-10.1 QD1 ILE 7 - HA LYS 94 far 0 84 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 10103 from cnoeabs.peaks (0.68, 3.62, 60.08 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 97 + HA LYS 94 OK 100 100 100 100 4.4-5.5 2.1/8214=78, 10119=67...(12) QD1 ILE 116 - HA LYS 94 far 0 100 0 - 9.0-11.8 Violated in 17 structures by 0.42 A. Peak 10104 from cnoeabs.peaks (0.37, 3.62, 60.08 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 97 + HA LYS 94 OK 99 99 100 100 3.3-5.9 10125=82, 3.2/8214=64...(13) QD2 LEU 68 - HA LYS 94 far 0 70 0 - 7.9-10.1 Violated in 9 structures by 0.41 A. Peak 10107 from cnoeabs.peaks (2.28, 3.22, 43.41 ppm; 5.47 A): 4 out of 7 assignments used, quality = 0.74: HG3 GLU 91 + HD2 ARG 95 OK 40 98 45 92 5.0-8.3 ~11663=59, 11665/2.9=56 HG3 GLU 91 + HD3 ARG 95 OK 31 98 35 92 5.9-9.5 ~11663=59, 11665/2.9=56 HG3 GLU 92 + HD2 ARG 95 OK 21 73 80 36 4.7-8.6 4.0/10108=36 HG3 GLU 92 + HD3 ARG 95 OK 20 73 75 36 4.4-8.8 4.0/10108=36 HG3 GLU 87 - HD2 ARG 95 far 0 80 0 - 8.4-13.6 HG2 GLU 87 - HD2 ARG 95 far 0 80 0 - 9.1-14.4 HG2 GLU 89 - HD3 ARG 95 far 0 65 0 - 9.8-13.8 Violated in 3 structures by 0.04 A. Peak 10108 from cnoeabs.peaks (4.04, 3.22, 43.41 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 92 + HD3 ARG 95 OK 90 100 95 95 2.2-6.4 8203/3.9=63, 8201/3.9=45...(8) HA GLU 92 + HD2 ARG 95 OK 90 100 95 95 2.3-6.2 8203/3.9=63, 8201/3.9=45...(8) HA GLU 87 - HD3 ARG 95 far 0 100 0 - 9.5-12.7 HA GLU 87 - HD2 ARG 95 far 0 100 0 - 9.7-12.4 Violated in 2 structures by 0.07 A. Peak 10111 from cnoeabs.peaks (2.05, 3.94, 62.57 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: HB3 GLN 100 + HA ILE 97 OK 99 100 100 99 2.1-4.8 4.6/10165=48...(12) HB3 GLU 98 + HA ILE 97 OK 97 99 100 98 5.5-5.7 6215/3.6=82...(9) HB2 GLU 66 - HB3 SER 35 lone 0 52 45 1 5.3-7.9 HB3 MET 67 - HB3 SER 35 far 0 59 0 - 7.9-11.2 HB2 GLU 92 - HA ILE 97 far 0 99 0 - 9.7-11.7 HB3 MET 67 - HA ILE 97 far 0 100 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 10112 from cnoeabs.peaks (2.44, 3.94, 62.57 ppm; 5.78 A): 2 out of 4 assignments used, quality = 0.99: HG2 GLN 100 + HA ILE 97 OK 98 98 100 100 2.0-5.6 3.5/10165=74...(11) HG3 GLU 98 + HA ILE 97 OK 53 100 55 97 6.0-7.7 1657/3.6=76, 4.9/2176=49...(6) HG3 GLU 69 - HA ILE 97 poor 15 100 60 25 6.5-10.8 1008/10165=11...(4) HG2 GLU 37 - HB3 SER 35 far 0 54 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 10113 from cnoeabs.peaks (2.96, 3.94, 62.57 ppm; 6.20 A): 0 out of 6 assignments used, quality = 0.00: HE3 LYS 39 - HB3 SER 35 poor 19 32 60 - 2.3-10.4 HE2 LYS 40 - HB3 SER 35 poor 11 56 20 - 7.1-12.1 HE2 LYS 39 - HB3 SER 35 poor 7 36 70 26 2.2-9.5 ~9335=15, 7.3/1646=12 HE3 LYS 40 - HB3 SER 35 far 0 58 0 - 8.0-13.3 HE2 LYS 43 - HB3 SER 35 far 0 34 0 - 8.1-13.6 HE3 LYS 43 - HB3 SER 35 far 0 45 0 - 9.4-13.4 Violated in 8 structures by 0.27 A. Peak 10114 from cnoeabs.peaks (1.83, 0.68, 18.75 ppm; 3.34 A): 0 out of 4 assignments used, quality = 0.00: HB3 ARG 105 - QG2 ILE 97 far 0 77 0 - 5.9-8.5 HD2 LYS 123 - QG2 ILE 97 far 0 87 0 - 9.6-12.2 HB3 LYS 77 - QG2 ILE 97 far 0 92 0 - 9.8-11.7 HG LEU 70 - QG2 ILE 97 far 0 70 0 - 10.0-12.6 Violated in 20 structures by 3.64 A. Peak 10115 from cnoeabs.peaks (1.93, 0.68, 18.75 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.84: HB VAL 104 + QG2 ILE 97 OK 84 84 100 100 1.8-4.8 2.1/10230=72, 10223=63...(16) HB3 LYS 65 - QG2 ILE 97 poor 13 100 20 65 5.2-7.8 ~10981=30, ~10124=15...(9) HB2 LYS 65 - QG2 ILE 97 far 5 100 5 - 5.6-8.3 HB2 LEU 81 - QG2 ILE 97 far 0 81 0 - 7.2-8.9 HB2 LEU 70 - QG2 ILE 97 far 0 94 0 - 9.3-12.3 Violated in 5 structures by 0.08 A. Peak 10116 from cnoeabs.peaks (2.36, 0.68, 18.75 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.96: HG2 GLU 98 + QG2 ILE 97 OK 82 84 100 98 3.8-6.5 1656/4.1=66...(7) HG3 GLN 100 + QG2 ILE 97 OK 76 84 100 90 2.8-6.2 10894/3.2=54, ~10112=29...(7) Violated in 0 structures by 0.00 A. Peak 10117 from cnoeabs.peaks (2.47, 0.68, 18.75 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.98: HB2 TYR 102 + QG2 ILE 97 OK 98 98 100 100 1.9-4.8 2.5/4693=73, 10171=69...(15) Violated in 4 structures by 0.15 A. Peak 10118 from cnoeabs.peaks (2.75, 0.68, 18.75 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: HB3 TYR 102 + QG2 ILE 97 OK 100 100 100 100 2.3-4.9 10177=89, 1.8/10117=83...(15) HG3 MET 42 - QG2 ILE 97 far 0 90 0 - 9.5-13.5 Violated in 5 structures by 0.15 A. Peak 10119 from cnoeabs.peaks (3.61, 0.68, 18.75 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 94 + QG2 ILE 97 OK 100 100 100 100 4.4-5.5 10103=99, 8214/2.1=91...(12) Violated in 6 structures by 0.04 A. Peak 10121 from cnoeabs.peaks (3.61, 1.00, 27.27 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 94 + HG12 ILE 97 OK 98 98 100 100 4.1-6.1 10104/2.1=97...(6) Violated in 0 structures by 0.00 A. Peak 10122 from cnoeabs.peaks (3.62, 0.93, 27.27 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.95: HA LYS 94 + HG13 ILE 97 OK 95 100 95 100 4.0-6.8 10104/2.1=90...(6) Violated in 10 structures by 0.49 A. Peak 10124 from cnoeabs.peaks (3.78, 0.36, 11.90 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.87: HA LYS 65 + QD1 ILE 97 OK 72 92 100 79 2.9-4.9 11054/10141=35...(8) HA LEU 68 + QD1 ILE 97 OK 53 99 70 77 5.5-7.8 4.0/11641=39...(6) HB2 SER 58 - QD1 ILE 97 far 0 99 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 10125 from cnoeabs.peaks (3.61, 0.36, 11.90 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.89: HA LYS 94 + QD1 ILE 97 OK 89 90 100 100 3.3-5.9 10104=85, 8214/3.2=56...(13) Violated in 9 structures by 0.39 A. Peak 10126 from cnoeabs.peaks (2.45, 0.36, 11.90 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.90: HG2 GLN 100 + QD1 ILE 97 OK 76 97 95 82 3.1-7.9 ~10116=31, 3.5/10825=30...(6) HG3 GLU 98 + QD1 ILE 97 OK 61 90 70 97 5.7-8.5 10233/10229=73...(7) HG3 GLU 69 - QD1 ILE 97 lone 8 90 80 11 5.4-8.7 10112/6197=5, 1008/10825=5 Violated in 1 structures by 0.00 A. Peak 10127 from cnoeabs.peaks (1.96, 0.36, 11.90 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.88: HB VAL 104 + QD1 ILE 97 OK 70 94 75 100 4.0-6.6 2.1/10229=69...(16) HB3 LYS 96 + QD1 ILE 97 OK 59 73 100 80 2.6-5.4 4.6/6196=49...(6) HB3 ARG 95 - QD1 ILE 97 far 0 77 0 - 6.9-9.0 HB2 LEU 70 - QD1 ILE 97 far 0 84 0 - 9.0-12.6 Violated in 5 structures by 0.01 A. Peak 10128 from cnoeabs.peaks (1.65, 0.36, 11.90 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.99: HG LEU 64 + QD1 ILE 97 OK 85 97 100 87 3.5-4.5 2.1/11270=40...(12) HD3 LYS 65 + QD1 ILE 97 OK 76 100 90 84 1.8-6.7 ~10981=43, 3.0/10129=30...(10) HD2 LYS 65 + QD1 ILE 97 OK 66 99 80 84 1.9-7.1 ~10981=43, 3.0/10129=30...(10) HG LEU 90 - QD1 ILE 97 far 0 92 0 - 7.4-11.7 HB ILE 116 - QD1 ILE 97 far 0 61 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 10129 from cnoeabs.peaks (1.56, 0.36, 11.90 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.88: HG2 LYS 65 + QD1 ILE 97 OK 67 73 100 92 3.0-5.8 ~10981=64...(7) HG3 LYS 96 + QD1 ILE 97 OK 63 99 75 85 4.0-7.2 7799/6196=55...(5) HB VAL 78 - QD1 ILE 97 far 0 96 0 - 6.6-9.6 HD2 LYS 106 - QD1 ILE 97 far 0 99 0 - 7.8-12.3 HD3 LYS 106 - QD1 ILE 97 far 0 100 0 - 7.9-12.5 HB3 LEU 70 - QD1 ILE 97 far 0 99 0 - 8.8-11.3 Violated in 2 structures by 0.01 A. Peak 10130 from cnoeabs.peaks (1.42, 0.36, 11.90 ppm; 5.81 A): 2 out of 8 assignments used, quality = 0.88: HG2 LYS 96 + QD1 ILE 97 OK 66 70 100 95 3.6-6.6 5.0/6196=72...(6) HG LEU 80 + QD1 ILE 97 OK 65 65 100 100 1.9-5.3 2.1/9924=96, 2.1/9923=71...(11) HB3 LYS 61 - QD1 ILE 97 lone 1 94 85 2 5.4-8.0 HB3 LEU 63 - QD1 ILE 97 far 0 100 0 - 8.3-9.6 HB3 GLN 83 - QD1 ILE 97 far 0 100 0 - 8.4-12.1 QB ALA 113 - QD1 ILE 97 far 0 84 0 - 8.5-11.8 HB2 LEU 4 - QD1 ILE 97 far 0 81 0 - 9.6-12.6 HB3 LEU 4 - QD1 ILE 97 far 0 81 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10131 from cnoeabs.peaks (1.32, 0.36, 11.90 ppm; 5.79 A): 1 out of 1 assignment used, quality = 0.68: HG3 LYS 94 + QD1 ILE 97 OK 68 99 75 92 5.5-7.9 5930/10104=78...(3) Violated in 19 structures by 0.81 A. Peak 10132 from cnoeabs.peaks (0.78, 0.36, 11.90 ppm; 3.13 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 80 + QD1 ILE 97 OK 92 100 100 92 1.7-3.9 9924=51, 2.1/9923=40...(22) QD2 LEU 80 + QD1 ILE 97 OK 90 100 95 95 1.7-5.0 9923=55, 2.1/9924=44...(23) QD1 LEU 82 + QD1 ILE 97 OK 83 100 95 87 1.9-4.9 11397=42, 2.1/11396=37...(13) QD2 LEU 64 + QD1 ILE 97 OK 70 96 100 73 1.7-4.4 11270=25, 9693/4742=20...(16) QD1 ILE 7 - QD1 ILE 97 far 0 96 0 - 7.0-10.0 QD1 LEU 81 - QD1 ILE 97 far 0 81 0 - 7.2-10.1 QG1 VAL 107 - QD1 ILE 97 far 0 87 0 - 7.3-10.8 QG2 VAL 32 - QD1 ILE 97 far 0 87 0 - 9.8-11.4 Violated in 1 structures by 0.00 A. Peak 10133 from cnoeabs.peaks (0.79, 0.68, 18.75 ppm; 3.35 A): 4 out of 5 assignments used, quality = 0.99: QD2 LEU 80 + QG2 ILE 97 OK 80 87 100 92 1.7-3.6 9923/3.0=30...(18) QD1 LEU 80 + QG2 ILE 97 OK 75 84 100 90 1.8-3.7 9924/3.0=34...(19) QD1 LEU 82 + QG2 ILE 97 OK 64 92 90 77 3.7-5.0 11397/3.0=35, ~11396=22...(10) QD2 LEU 64 + QG2 ILE 97 OK 57 99 95 61 3.0-5.3 11270/3.0=22...(11) QD1 LEU 81 - QG2 ILE 97 far 0 100 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 10134 from cnoeabs.peaks (0.81, 1.81, 37.21 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.89: QD1 LEU 64 + HB ILE 97 OK 70 99 90 78 4.4-6.6 11269/3.2=27, ~11270=25...(9) QD2 LEU 82 + HB ILE 97 OK 63 77 95 86 5.1-6.8 11396/3.2=50, ~11397=47...(6) QG2 ILE 71 - HB ILE 97 far 0 97 0 - 9.5-12.6 Violated in 10 structures by 0.19 A. Peak 10135 from cnoeabs.peaks (4.34, 0.68, 18.75 ppm; 5.19 A): 3 out of 3 assignments used, quality = 1.00: HA GLU 98 + QG2 ILE 97 OK 100 100 100 100 2.8-4.3 10162=91, ~623=60...(15) HA SER 99 + QG2 ILE 97 OK 37 99 80 47 6.4-6.9 ~2176=32, 2170/4.0=15, 3.6/724=6 HA PHE 93 + QG2 ILE 97 OK 28 100 35 80 6.1-7.4 8211/4.0=63...(8) Violated in 0 structures by 0.00 A. Peak 10138 from cnoeabs.peaks (4.33, 0.36, 11.90 ppm; 5.72 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 98 + QD1 ILE 97 OK 100 100 100 100 5.4-6.1 10162/3.0=84, 3.0/627=67...(10) HA PHE 93 + QD1 ILE 97 OK 97 97 100 100 3.1-5.7 3.7/11312=75...(13) HA SER 99 - QD1 ILE 97 far 5 92 5 - 7.1-8.8 HB THR 9 - QD1 ILE 97 far 0 87 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 10139 from cnoeabs.peaks (6.72, 0.36, 11.90 ppm; 5.84 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 102 + QD1 ILE 97 OK 99 99 100 100 2.1-5.5 2.2/10140=93, ~4693=78...(14) QD PHE 79 - QD1 ILE 97 far 0 100 0 - 7.8-10.5 Violated in 0 structures by 0.00 A. Peak 10140 from cnoeabs.peaks (6.98, 0.36, 11.90 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 102 + QD1 ILE 97 OK 100 100 100 100 3.1-4.8 4693/3.0=91, 4688/3.2=71...(20) Violated in 0 structures by 0.00 A. Peak 10141 from cnoeabs.peaks (7.09, 0.36, 11.90 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.89: HZ PHE 93 + QD1 ILE 97 OK 89 90 100 99 2.0-3.7 2.2/10142=74, ~4678=47...(16) QE PHE 79 - QD1 ILE 97 far 0 100 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 10142 from cnoeabs.peaks (7.16, 0.36, 11.90 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.61: QE PHE 93 + QD1 ILE 97 OK 61 61 100 99 1.8-3.6 2.2/10141=69...(14) QE PHE 120 - QD1 ILE 97 far 0 65 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 10143 from cnoeabs.peaks (7.13, 0.93, 27.27 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.90: QE PHE 93 + HG13 ILE 97 OK 90 90 100 100 2.5-5.3 4678/1.8=86, 4742/2.1=85...(8) QD PHE 51 - HG13 ILE 54 far 8 52 15 - 6.3-10.1 QE PHE 120 - HG13 ILE 97 far 0 87 0 - 8.3-11.9 Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (7.19, 1.00, 27.27 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 10145 from cnoeabs.peaks (6.97, 1.81, 37.21 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 102 + HB ILE 97 OK 92 92 100 100 4.2-4.6 4693/2.1=89, ~10117=87...(17) Violated in 0 structures by 0.00 A. Peak 10146 from cnoeabs.peaks (6.97, 3.94, 62.57 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 102 + HA ILE 97 OK 92 92 100 100 2.8-4.2 4693/3.2=87, 4688/3.0=78...(14) Violated in 0 structures by 0.00 A. Peak 10148 from cnoeabs.peaks (7.28, 3.94, 62.57 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 100 + HA ILE 97 OK 99 99 100 100 3.0-7.4 1.7/10165=97, 10164=81...(7) Violated in 5 structures by 0.11 A. Peak 10149 from cnoeabs.peaks (5.22, 0.68, 18.75 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: HA VAL 104 + QG2 ILE 97 OK 97 97 100 100 2.5-4.9 3.0/10223=92...(17) Violated in 0 structures by 0.00 A. Peak 10150 from cnoeabs.peaks (6.71, 0.68, 18.75 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 102 + QG2 ILE 97 OK 99 99 100 100 1.9-3.8 2.2/4693=97...(13) QD PHE 79 - QG2 ILE 97 far 0 94 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 10151 from cnoeabs.peaks (6.89, 0.68, 18.75 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.99: H TYR 102 + QG2 ILE 97 OK 99 99 100 100 2.9-4.1 1680/4693=78...(7) Violated in 0 structures by 0.00 A. Peak 10152 from cnoeabs.peaks (6.98, 0.68, 18.75 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 102 + QG2 ILE 97 OK 100 100 100 100 1.6-1.9 4693=100, 2.5/10117=63...(19) HZ PHE 79 - QG2 ILE 97 far 0 97 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10153 from cnoeabs.peaks (7.11, 0.68, 18.75 ppm; 5.59 A): 0 out of 1 assignment used, quality = 0.00: QE PHE 79 - QG2 ILE 97 far 0 92 0 - 7.9-9.6 Violated in 20 structures by 3.11 A. Peak 10157 from cnoeabs.peaks (8.79, 0.93, 27.27 ppm; 5.95 A): 1 out of 3 assignments used, quality = 0.33: H ILE 54 + HG13 ILE 54 OK 33 33 100 100 3.1-4.1 4.6=100 H VAL 29 - HG13 ILE 54 poor 7 37 20 - 7.2-8.6 H LYS 106 - HG13 ILE 97 far 0 65 0 - 8.7-13.3 Violated in 0 structures by 0.00 A. Peak 10159 from cnoeabs.peaks (7.93, 4.34, 58.95 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.76: H GLY 101 + HA GLU 98 OK 76 90 100 85 3.6-4.7 4.6/10166=64, 638/635=31...(5) Violated in 0 structures by 0.00 A. Peak 10160 from cnoeabs.peaks (2.53, 4.34, 58.95 ppm; 4.78 A): 0 out of 0 assignments used, quality = 0.00: Peak 10161 from cnoeabs.peaks (0.89, 4.34, 58.95 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.95: QG2 VAL 104 + HA GLU 98 OK 95 100 95 100 2.5-6.0 11510/3.0=68...(14) QD1 LEU 90 - HA GLU 98 far 0 70 0 - 8.1-12.2 QD2 LEU 90 - HA GLU 98 far 0 99 0 - 9.7-11.8 Violated in 7 structures by 0.26 A. Peak 10162 from cnoeabs.peaks (0.67, 4.34, 58.95 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.93: QG2 ILE 97 + HA GLU 98 OK 93 94 100 99 2.8-4.3 ~623=52, 10135=44...(15) QD1 ILE 71 - HA GLU 98 far 0 61 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 10163 from cnoeabs.peaks (7.82, 4.00, 62.68 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.88: H ILE 97 + HB3 SER 99 OK 67 81 100 83 4.8-7.5 2177/4.0=52, 3.6/8229=50...(5) H ILE 97 + HB2 SER 99 OK 65 81 100 81 4.9-7.3 2177/4.0=52, 3.6/8226=50...(4) Violated in 0 structures by 0.00 A. Peak 10171 from cnoeabs.peaks (0.68, 2.47, 39.05 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.98: QG2 ILE 97 + HB2 TYR 102 OK 98 98 100 100 1.9-4.8 10117=95, 4693/2.5=79...(15) QD2 LEU 4 - HB2 TYR 102 far 0 100 0 - 8.8-12.0 QD1 ILE 56 - HB2 TYR 102 far 0 77 0 - 9.2-12.3 QG2 ILE 56 - HB2 TYR 102 far 0 65 0 - 9.2-10.9 QD1 LEU 55 - HB2 TYR 102 far 0 96 0 - 9.7-12.8 Violated in 3 structures by 0.08 A. Peak 10172 from cnoeabs.peaks (0.77, 2.47, 39.05 ppm; 5.84 A): 4 out of 6 assignments used, quality = 1.00: QD1 LEU 80 + HB2 TYR 102 OK 100 100 100 100 2.9-7.0 11694/1.8=93...(7) QD2 LEU 80 + HB2 TYR 102 OK 99 99 100 100 2.8-6.9 ~11694=72, ~9935=65...(9) QD2 LEU 64 + HB2 TYR 102 OK 41 90 90 51 5.1-8.6 11270/10174=22...(4) QD1 LEU 82 + HB2 TYR 102 OK 28 98 50 57 6.5-9.8 11397/10174=51, 10133/10117=11 QD1 ILE 7 - HB2 TYR 102 far 0 99 0 - 7.6-10.2 QD1 LEU 81 - HB2 TYR 102 far 0 70 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 10174 from cnoeabs.peaks (0.36, 2.47, 39.05 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 97 + HB2 TYR 102 OK 100 100 100 100 4.2-6.7 3.0/10171=97...(15) Violated in 3 structures by 0.06 A. Peak 10175 from cnoeabs.peaks (1.55, 2.75, 39.05 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.99: HB VAL 78 + HB3 TYR 102 OK 99 99 100 100 3.1-5.9 9857=97, 9872/2.5=97...(9) HG2 LYS 65 - HB3 TYR 102 far 0 100 0 - 9.5-12.7 HG12 ILE 3 - HB3 TYR 102 far 0 94 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 10176 from cnoeabs.peaks (0.78, 2.75, 39.05 ppm; 4.83 A): 3 out of 6 assignments used, quality = 0.99: QD2 LEU 80 + HB3 TYR 102 OK 88 100 90 98 3.2-6.9 2.1/11694=67, ~9935=46...(10) QD1 LEU 80 + HB3 TYR 102 OK 84 100 85 99 3.9-7.0 11694=79, 9935/2.5=65...(9) QD2 LEU 64 + HB3 TYR 102 OK 26 97 60 45 5.5-9.5 4692/2.5=16...(5) QD1 LEU 82 - HB3 TYR 102 far 0 100 0 - 6.4-9.9 QD1 ILE 7 - HB3 TYR 102 far 0 94 0 - 7.7-11.1 QD1 LEU 81 - HB3 TYR 102 far 0 84 0 - 9.0-10.9 Violated in 3 structures by 0.06 A. Peak 10177 from cnoeabs.peaks (0.68, 2.75, 39.05 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 97 + HB3 TYR 102 OK 100 100 100 100 2.3-4.9 10118=100, 10117/1.8=87...(15) QG2 ILE 56 - HB3 TYR 102 far 0 81 0 - 8.4-10.8 QD2 LEU 4 - HB3 TYR 102 far 0 100 0 - 8.5-11.8 QD1 ILE 56 - HB3 TYR 102 far 0 61 0 - 8.7-12.4 QD1 LEU 55 - HB3 TYR 102 far 0 99 0 - 9.4-12.2 Violated in 5 structures by 0.11 A. Peak 10178 from cnoeabs.peaks (0.37, 2.75, 39.05 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 97 + HB3 TYR 102 OK 96 96 100 100 4.6-7.6 3.0/10118=98...(15) QD2 LEU 68 + HB3 TYR 102 OK 84 84 100 100 2.5-4.2 ~4695=84, 9749/2.5=73...(9) Violated in 0 structures by 0.00 A. Peak 10182 from cnoeabs.peaks (0.68, 6.98, 132.43 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 97 + QD TYR 102 OK 100 100 100 100 1.6-1.9 10152=100, 10117/2.5=92...(19) QD2 LEU 4 - QD TYR 102 far 0 100 0 - 7.3-9.3 QG2 ILE 56 - QD TYR 102 far 0 81 0 - 7.6-9.3 QD1 ILE 56 - QD TYR 102 far 0 61 0 - 7.9-10.5 QD1 LEU 55 - QD TYR 102 far 0 99 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 10185 from cnoeabs.peaks (2.21, 6.71, 118.26 ppm; 5.22 A): 2 out of 8 assignments used, quality = 0.99: HB2 GLN 100 + QE TYR 102 OK 98 98 100 100 2.0-3.7 1.8/4620=98, 10889=95...(6) HB3 MET 1 + QE TYR 76 OK 41 77 60 88 3.5-9.3 3.0/4606=72, ~10720=47 HB2 MET 42 - QE TYR 76 poor 15 59 50 49 5.8-7.4 4.2/9409=28...(3) HB2 GLU 69 - QE TYR 102 lone 9 97 100 9 4.7-6.6 10889=4, 9780/10197=4 HG2 GLU 48 - QE TYR 76 far 4 83 5 - 6.7-11.5 HB2 MET 67 - QE TYR 102 far 0 99 0 - 7.0-8.8 HB2 MET 42 - QE TYR 102 far 0 75 0 - 7.5-9.1 HG3 GLU 66 - QE TYR 102 far 0 59 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 10186 from cnoeabs.peaks (2.04, 6.71, 118.26 ppm; 5.65 A): 2 out of 10 assignments used, quality = 0.99: HB3 GLN 100 + QE TYR 102 OK 99 99 100 100 1.8-3.5 10890=100, 1.8/4619=99...(6) HB2 MET 1 + QE TYR 76 OK 38 59 70 93 4.3-9.0 3.0/4606=79, ~10720=55 HB2 GLU 48 - QE TYR 76 far 4 82 5 - 6.5-10.7 HB3 GLU 98 - QE TYR 102 lone 4 94 30 14 6.4-9.1 10055/10244=13 HG3 GLU 52 - QE TYR 76 far 0 85 0 - 7.3-11.6 HB3 GLU 48 - QE TYR 76 far 0 82 0 - 7.3-10.6 HB3 MET 67 - QE TYR 102 far 0 98 0 - 7.3-8.4 HB3 MET 67 - QE TYR 76 far 0 83 0 - 9.0-12.4 HB2 GLU 66 - QE TYR 102 far 0 97 0 - 9.2-9.8 HB2 GLU 47 - QE TYR 76 far 0 71 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 10187 from cnoeabs.peaks (1.90, 6.71, 118.26 ppm; 5.10 A): 4 out of 17 assignments used, quality = 1.00: HB ILE 71 + QE TYR 102 OK 96 99 100 97 1.8-5.5 8146/9741=43...(8) HB2 LEU 45 + QE TYR 76 OK 79 79 100 100 2.4-3.8 1.8/4623=99, ~4611=76...(11) HG LEU 45 + QE TYR 76 OK 59 59 100 100 3.7-5.5 3.0/4623=89, 2.1/9445=78...(14) HB ILE 71 + QE TYR 76 OK 51 85 60 100 5.9-8.7 ~9798=68, 9794/2.2=53...(16) HB2 LYS 96 - QE TYR 102 lone 4 98 50 8 5.6-8.3 9764/4632=7 HB3 LYS 73 - QE TYR 102 far 0 99 0 - 6.9-9.5 HB2 LYS 44 - QE TYR 76 far 0 62 0 - 7.2-10.1 HB2 LYS 49 - QE TYR 76 far 0 85 0 - 7.3-11.6 QE MET 67 - QE TYR 102 far 0 67 0 - 7.4-8.7 HB2 LYS 73 - QE TYR 76 far 0 85 0 - 7.5-9.8 HB3 LYS 44 - QE TYR 76 far 0 75 0 - 7.7-9.9 HB2 LYS 73 - QE TYR 102 far 0 99 0 - 7.7-8.7 HB3 LYS 73 - QE TYR 76 far 0 84 0 - 8.4-9.8 HB3 LYS 43 - QE TYR 76 far 0 83 0 - 8.8-10.1 HB2 LYS 43 - QE TYR 76 far 0 73 0 - 9.1-10.2 QE MET 67 - QE TYR 76 far 0 52 0 - 9.2-10.6 HB2 ARG 95 - QE TYR 102 far 0 99 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 10188 from cnoeabs.peaks (1.70, 6.71, 118.26 ppm; 5.53 A): 2 out of 14 assignments used, quality = 0.99: HG12 ILE 71 + QE TYR 102 OK 90 94 100 96 3.4-6.3 11075/4632=54...(7) HG LEU 74 + QE TYR 76 OK 85 85 100 100 2.3-6.1 2.1/9818=96, 4610/2.2=65...(9) HD2 LYS 73 - QE TYR 76 poor 13 52 25 - 6.3-10.8 HD3 LYS 73 - QE TYR 102 poor 13 63 20 - 5.7-9.9 HD2 LYS 44 - QE TYR 76 far 8 85 10 - 5.8-11.7 HG LEU 74 - QE TYR 102 far 5 99 5 - 6.9-10.0 HD3 LYS 44 - QE TYR 76 far 4 85 5 - 6.8-12.3 HD2 LYS 73 - QE TYR 102 far 0 67 0 - 7.1-10.6 HD3 LYS 73 - QE TYR 76 far 0 49 0 - 7.2-11.3 HG12 ILE 71 - QE TYR 76 far 0 77 0 - 7.2-9.0 HD3 LYS 43 - QE TYR 76 far 0 49 0 - 8.3-10.6 HD3 LYS 96 - QE TYR 102 far 0 59 0 - 9.0-11.1 HB ILE 56 - QE TYR 102 far 0 82 0 - 9.2-10.9 HB ILE 56 - QE TYR 76 far 0 65 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 10189 from cnoeabs.peaks (1.56, 6.71, 118.26 ppm; 5.23 A): 2 out of 9 assignments used, quality = 1.00: HB VAL 78 + QE TYR 102 OK 99 99 100 100 3.5-4.9 9872/2.2=89, ~4694=73...(12) QB ALA 46 + QE TYR 76 OK 57 79 100 72 4.7-6.2 9452=51, 9461/9818=38 HG2 LYS 65 - QE TYR 102 far 9 94 10 - 6.4-8.1 HB3 LEU 70 - QE TYR 102 far 8 82 10 - 6.6-8.4 HG12 ILE 3 - QE TYR 76 far 4 83 5 - 6.6-8.7 HG3 LYS 96 - QE TYR 102 far 0 82 0 - 7.3-10.4 HB3 LEU 70 - QE TYR 76 far 0 65 0 - 7.6-9.4 HB VAL 78 - QE TYR 76 far 0 85 0 - 8.2-9.1 HD2 LYS 106 - QE TYR 102 far 0 98 0 - 9.5-17.0 Violated in 0 structures by 0.00 A. Peak 10190 from cnoeabs.peaks (1.46, 6.71, 118.26 ppm; 5.07 A): 2 out of 10 assignments used, quality = 0.91: HB2 LEU 74 + QE TYR 76 OK 81 82 100 99 2.8-5.0 3.1/9818=77, ~4610=51...(10) HG LEU 4 + QE TYR 76 OK 51 73 70 100 4.7-7.0 2.1/9040=74, ~9037=69...(14) HB3 LEU 6 - QE TYR 102 far 15 99 15 - 6.2-7.2 HB2 LEU 74 - QE TYR 102 far 15 97 15 - 6.3-10.6 HG2 LYS 49 - QE TYR 76 far 8 84 10 - 6.0-11.3 HG3 LYS 73 - QE TYR 76 far 8 52 15 - 6.3-10.6 HG3 LYS 73 - QE TYR 102 far 0 67 0 - 6.9-9.7 HG3 LYS 49 - QE TYR 76 far 0 84 0 - 7.5-11.9 HG LEU 4 - QE TYR 102 far 0 90 0 - 8.1-10.8 HD2 LYS 53 - QE TYR 76 far 0 46 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 10191 from cnoeabs.peaks (1.39, 6.71, 118.26 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.97: HB3 LEU 68 + QE TYR 102 OK 97 97 100 100 2.0-3.9 3.1/4633=98, 3.1/4632=96...(11) HG2 LYS 94 - QE TYR 102 far 0 63 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. Peak 10192 from cnoeabs.peaks (1.23, 6.71, 118.26 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.31: HG13 ILE 3 + QE TYR 76 OK 31 77 40 99 7.0-10.1 4613/2.2=99, 2.1/9025=27 HG12 ILE 54 - QE TYR 76 poor 14 46 45 68 5.8-10.7 3.2/9492=61...(4) HG13 ILE 3 - QE TYR 102 far 0 94 0 - 8.9-13.6 Violated in 20 structures by 2.44 A. Peak 10193 from cnoeabs.peaks (1.03, 6.71, 118.26 ppm; 5.54 A): 2 out of 6 assignments used, quality = 0.98: HG13 ILE 71 + QE TYR 102 OK 89 95 100 93 2.4-6.5 2.1/10197=46...(6) HG3 LYS 2 + QE TYR 76 OK 81 81 100 100 2.7-4.9 2.9/4628=93, 2.9/4626=90...(5) HG13 ILE 71 - QE TYR 76 poor 20 79 25 - 5.8-8.5 QD1 LEU 127 - QE TYR 76 far 0 52 0 - 7.3-9.5 QD1 LEU 127 - QE TYR 102 far 0 67 0 - 8.4-10.5 HB2 PHE 79 - QE TYR 102 far 0 82 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (0.95, 6.71, 118.26 ppm; 5.70 A): 2 out of 8 assignments used, quality = 0.82: HD3 LYS 2 + QE TYR 76 OK 75 75 100 100 2.0-4.6 1.8/4626=99, 2.9/4627=95...(6) QD1 ILE 3 + QE TYR 76 OK 25 49 55 93 6.3-7.7 ~4613=78, 2.1/10192=47...(4) HG13 ILE 56 - QE TYR 76 far 0 79 0 - 7.8-11.7 QD1 LEU 38 - QE TYR 102 far 0 87 0 - 8.1-8.7 QD1 ILE 3 - QE TYR 102 far 0 63 0 - 8.2-10.6 HG3 LYS 53 - QE TYR 76 far 0 56 0 - 8.5-12.4 QD2 LEU 127 - QE TYR 76 far 0 42 0 - 9.3-11.0 HG13 ILE 56 - QE TYR 102 far 0 95 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 10195 from cnoeabs.peaks (0.82, 6.71, 118.26 ppm; 3.82 A): 4 out of 8 assignments used, quality = 0.99: QD1 LEU 74 + QE TYR 76 OK 81 84 100 96 2.2-4.0 9818=68, ~4610=34...(13) QD2 LEU 74 + QE TYR 76 OK 80 85 100 95 2.7-5.2 2.1/9818=57, ~4610=34...(12) QG2 ILE 71 + QE TYR 76 OK 66 84 80 99 3.5-5.9 9798/2.2=65, 9799=33...(19) QG2 ILE 71 + QE TYR 102 OK 50 99 60 85 2.7-6.3 9775/4633=36, 9799=23...(8) QD1 LEU 64 - QE TYR 102 far 14 97 15 - 5.0-7.3 QD1 LEU 74 - QE TYR 102 far 0 99 0 - 5.8-9.6 QD2 LEU 74 - QE TYR 102 far 0 99 0 - 7.0-9.4 QD2 LEU 82 - QE TYR 102 far 0 97 0 - 7.1-10.7 Violated in 0 structures by 0.00 A. Peak 10196 from cnoeabs.peaks (0.69, 6.71, 118.26 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.95: QG2 ILE 97 + QE TYR 102 OK 87 87 100 100 1.9-3.8 4693/2.2=84, 10150=56...(13) QD2 LEU 4 + QE TYR 76 OK 58 59 100 99 3.3-5.4 2.1/4631=59, ~9037=50...(15) QD2 LEU 4 - QE TYR 102 far 0 75 0 - 6.8-9.5 QG2 ILE 56 - QE TYR 102 far 0 99 0 - 7.6-9.0 QG2 ILE 56 - QE TYR 76 far 0 85 0 - 7.8-10.4 QD1 LEU 55 - QE TYR 102 far 0 92 0 - 9.8-12.4 QD1 LEU 55 - QE TYR 76 far 0 75 0 - 9.9-12.3 QD2 LEU 63 - QE TYR 102 far 0 71 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10197 from cnoeabs.peaks (0.65, 6.71, 118.26 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.96: QD1 LEU 4 + QE TYR 76 OK 84 84 100 100 2.9-4.6 9037/2.2=80, 9038=56...(17) QD1 ILE 71 + QE TYR 102 OK 74 92 100 80 3.0-5.1 2.1/4622=31...(7) QD1 ILE 71 - QE TYR 76 far 8 75 10 - 5.3-7.3 QD1 ILE 54 - QE TYR 76 far 0 73 0 - 5.8-8.7 QD1 LEU 4 - QE TYR 102 far 0 99 0 - 6.4-9.4 QD1 ILE 56 - QE TYR 76 far 0 56 0 - 7.4-9.8 QD1 ILE 56 - QE TYR 102 far 0 71 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 10198 from cnoeabs.peaks (0.51, 6.71, 118.26 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 68 + QE TYR 102 OK 95 95 100 100 2.6-3.5 2.1/4633=98, 9745=96...(13) Violated in 0 structures by 0.00 A. Peak 10199 from cnoeabs.peaks (0.37, 6.71, 118.26 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 68 + QE TYR 102 OK 90 90 100 100 2.2-3.1 2.1/4632=85, 9750=81...(17) QD1 ILE 97 + QE TYR 102 OK 87 87 100 100 2.1-5.5 3.0/10150=61...(13) QD2 LEU 68 - QE TYR 76 far 0 73 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 10200 from cnoeabs.peaks (0.36, 6.98, 132.43 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 97 + QD TYR 102 OK 100 100 100 100 3.1-4.8 3.0/4693=100, 10140=100...(20) Violated in 0 structures by 0.00 A. Peak 10202 from cnoeabs.peaks (4.11, 6.71, 118.26 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.60: HA MET 1 + QE TYR 76 OK 60 75 80 99 4.5-9.4 10715=91, 10720/2.2=87...(4) HB2 SER 72 - QE TYR 102 lone 3 82 100 3 1.9-3.8 11119/9873=1 HB3 SER 72 - QE TYR 102 lone 2 82 100 2 2.6-4.9 HB3 SER 72 - QE TYR 76 far 0 65 0 - 9.1-10.9 HB2 SER 72 - QE TYR 76 far 0 65 0 - 9.1-11.0 HA GLN 62 - QE TYR 102 far 0 98 0 - 9.6-11.0 Violated in 11 structures by 0.64 A. Peak 10206 from cnoeabs.peaks (6.71, 2.09, 30.37 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.88: QD PHE 79 + HB2 GLU 103 OK 88 92 100 96 2.6-5.8 3.7/11014=66...(7) QE TYR 102 - HB2 GLU 103 far 0 98 0 - 8.0-8.7 Violated in 2 structures by 0.06 A. Peak 10207 from cnoeabs.peaks (7.12, 2.26, 36.25 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.43: QE PHE 120 + HG2 GLU 103 OK 43 65 70 93 3.5-7.3 10209/1.8=71, ~10213=42...(6) QE PHE 93 - HG3 GLU 92 far 3 33 10 - 6.2-10.0 QE PHE 93 - HG2 GLU 89 far 0 37 0 - 9.0-12.6 Violated in 13 structures by 0.87 A. Peak 10208 from cnoeabs.peaks (6.71, 2.26, 36.25 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.71: QD PHE 79 + HG2 GLU 103 OK 71 77 100 92 2.6-6.8 10206/3.0=80, ~4650=28...(5) QE TYR 102 - HG2 GLU 103 far 0 90 0 - 7.8-10.7 Violated in 5 structures by 0.12 A. Peak 10209 from cnoeabs.peaks (7.12, 2.32, 36.25 ppm; 5.58 A): 1 out of 5 assignments used, quality = 0.61: QE PHE 120 + HG3 GLU 103 OK 61 65 95 98 3.2-7.1 10207/1.8=90, ~10213=50...(6) QD PHE 51 - HG3 GLU 48 far 7 67 10 - 5.9-12.9 QE PHE 93 - HG2 GLU 92 far 2 37 5 - 7.1-10.1 QE PHE 120 - HG2 GLU 112 far 0 20 0 - 8.4-11.7 QE PHE 93 - HG3 GLU 89 far 0 26 0 - 9.9-12.5 Violated in 11 structures by 0.41 A. Peak 10210 from cnoeabs.peaks (6.74, 2.32, 36.25 ppm; 5.67 A): 1 out of 2 assignments used, quality = 0.63: QD PHE 79 + HG3 GLU 103 OK 63 73 95 91 3.1-7.4 10212/3.0=75, ~4650=29...(5) QE TYR 102 - HG3 GLU 103 far 0 57 0 - 8.6-10.2 Violated in 10 structures by 0.19 A. Peak 10212 from cnoeabs.peaks (6.73, 1.99, 30.37 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.79: QD PHE 79 + HB3 GLU 103 OK 79 92 100 86 2.4-6.1 10210/3.0=58...(5) QE TYR 102 - HB3 GLU 103 far 0 81 0 - 8.2-9.6 Violated in 2 structures by 0.08 A. Peak 10213 from cnoeabs.peaks (6.78, 1.99, 30.37 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.77: QD PHE 120 + HB3 GLU 103 OK 77 97 95 84 4.0-7.3 ~10207=56, ~10209=51 Violated in 8 structures by 0.28 A. Peak 10216 from cnoeabs.peaks (0.91, 4.51, 56.38 ppm; 4.09 A): 0 out of 2 assignments used, quality = 0.00: HG13 ILE 97 - HA GLU 103 far 0 65 0 - 7.5-9.5 QD1 LEU 90 - HA GLU 103 far 0 99 0 - 9.0-12.4 Violated in 20 structures by 4.29 A. Peak 10219 from cnoeabs.peaks (1.30, 5.23, 59.28 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.89: HB3 LEU 80 + HA VAL 104 OK 73 73 100 100 1.8-4.6 1.8/10220=97...(20) HG3 LYS 94 + HA VAL 104 OK 59 70 90 94 4.9-7.3 10228/3.2=68...(8) Violated in 0 structures by 0.00 A. Peak 10220 from cnoeabs.peaks (1.74, 5.23, 59.28 ppm; 4.40 A): 1 out of 6 assignments used, quality = 0.94: HB2 LEU 80 + HA VAL 104 OK 94 94 100 100 1.9-3.3 10815=87, 11383/3.2=64...(22) HG3 ARG 105 - HA VAL 104 far 10 96 10 - 4.9-6.6 HB3 LYS 94 - HA VAL 104 far 9 94 10 - 5.3-8.1 HB3 LEU 82 - HA VAL 104 far 0 96 0 - 6.4-8.2 HB2 LEU 68 - HA VAL 104 far 0 100 0 - 9.6-10.5 HD3 LYS 123 - HA VAL 104 far 0 99 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 10221 from cnoeabs.peaks (0.78, 5.23, 59.28 ppm; 4.80 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 80 + HA VAL 104 OK 99 99 100 100 1.9-5.0 11091/3.2=86, 9930=80...(22) QD1 LEU 80 + HA VAL 104 OK 99 99 100 100 1.9-4.7 11092/3.2=91, 11605=80...(22) QD1 LEU 82 + HA VAL 104 OK 88 100 100 88 3.9-5.3 10231/3.2=39, ~10973=33...(11) QD2 LEU 64 - HA VAL 104 far 10 100 10 - 6.1-8.8 QD1 LEU 81 - HA VAL 104 poor 8 94 30 29 5.3-7.0 10267/664=21...(3) QG1 VAL 107 - HA VAL 104 far 0 70 0 - 6.6-9.6 QD1 ILE 7 - HA VAL 104 far 0 84 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 10222 from cnoeabs.peaks (0.78, 1.95, 34.17 ppm; 3.95 A): 3 out of 7 assignments used, quality = 0.98: QD2 LEU 80 + HB VAL 104 OK 84 99 85 100 2.0-6.4 11091/2.1=84, ~11092=56...(22) QD1 LEU 82 + HB VAL 104 OK 76 100 90 84 4.0-5.9 10231/2.1=38, ~10973=30...(11) QD1 LEU 80 + HB VAL 104 OK 54 99 55 100 2.4-6.3 11092/2.1=91...(22) QD2 LEU 64 - HB VAL 104 far 0 100 0 - 6.4-8.9 QD1 LEU 81 - HB VAL 104 far 0 94 0 - 6.9-9.1 QG1 VAL 107 - HB VAL 104 far 0 70 0 - 7.6-11.0 QD1 ILE 7 - HB VAL 104 far 0 84 0 - 9.0-11.9 Violated in 1 structures by 0.00 A. Peak 10223 from cnoeabs.peaks (0.68, 1.95, 34.17 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.98: QG2 ILE 97 + HB VAL 104 OK 98 98 100 100 1.8-4.8 10230/2.1=88, 10115=66...(16) QD1 ILE 116 - HB VAL 104 far 0 99 0 - 8.5-10.6 Violated in 3 structures by 0.03 A. Peak 10224 from cnoeabs.peaks (0.37, 1.95, 34.17 ppm; 6.01 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 97 + HB VAL 104 OK 100 100 100 100 4.0-6.6 3.0/10223=92...(16) QD2 LEU 68 - HB VAL 104 poor 13 65 40 49 5.8-9.0 9921/10969=25...(4) Violated in 5 structures by 0.09 A. Peak 10225 from cnoeabs.peaks (1.30, 1.95, 34.17 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.54: HB3 LEU 80 + HB VAL 104 OK 54 90 60 100 3.3-6.6 11088/2.1=66, ~11383=58...(22) Violated in 16 structures by 1.15 A. Peak 10226 from cnoeabs.peaks (1.75, 0.93, 20.69 ppm; 3.77 A): 4 out of 5 assignments used, quality = 0.99: HB2 LEU 80 + QG1 VAL 104 OK 89 99 90 100 3.7-5.5 11383/2.1=68...(24) HB3 LYS 94 + QG1 VAL 104 OK 77 81 100 95 1.8-4.0 3.0/10236=51...(13) HB3 LEU 82 + QG1 VAL 104 OK 28 84 45 73 4.0-7.0 3.1/10231=29, ~9967=21...(8) HG3 ARG 105 + QG1 VAL 104 OK 27 100 45 61 4.5-6.1 4.9/666=35, 3.0/11507=22...(4) HB2 LEU 68 - QG1 VAL 104 far 0 100 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 10227 from cnoeabs.peaks (1.57, 0.93, 20.69 ppm; 4.01 A): 0 out of 6 assignments used, quality = 0.00: HD3 LYS 106 - QG1 VAL 104 lone 5 87 50 11 2.5-6.7 ~10288=7, ~10286=4 HD2 LYS 106 - QG1 VAL 104 lone 4 84 40 11 2.2-6.7 ~10288=7, ~10286=4 HG3 LYS 96 - QG1 VAL 104 far 0 99 0 - 6.4-9.0 HG12 ILE 116 - QG1 VAL 104 far 0 92 0 - 7.6-10.7 HG LEU 68 - QG1 VAL 104 far 0 81 0 - 8.0-9.9 HB VAL 78 - QG1 VAL 104 far 0 70 0 - 9.5-11.1 Violated in 14 structures by 0.71 A. Peak 10228 from cnoeabs.peaks (1.30, 0.93, 20.69 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.72: HG3 LYS 94 + QG1 VAL 104 OK 64 70 100 92 1.8-3.4 4.0/10236=37...(12) HB3 LEU 80 + QG1 VAL 104 OK 22 73 30 100 3.5-6.3 10225/2.1=50, ~11383=42...(20) Violated in 0 structures by 0.00 A. Peak 10229 from cnoeabs.peaks (0.36, 0.93, 20.69 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.98: QD1 ILE 97 + QG1 VAL 104 OK 98 98 100 100 3.2-5.9 3.0/10230=78, ~10223=41...(21) Violated in 15 structures by 0.49 A. Peak 10230 from cnoeabs.peaks (0.67, 0.93, 20.69 ppm; 3.72 A): 1 out of 3 assignments used, quality = 0.89: QG2 ILE 97 + QG1 VAL 104 OK 89 90 100 99 2.7-5.0 10223/2.1=48...(20) QD1 ILE 116 - QG1 VAL 104 far 0 94 0 - 6.0-8.1 QD1 ILE 71 - QG1 VAL 104 far 0 70 0 - 8.9-11.5 Violated in 16 structures by 0.58 A. Peak 10231 from cnoeabs.peaks (0.79, 0.93, 20.69 ppm; 3.14 A): 3 out of 6 assignments used, quality = 0.94: QD1 LEU 82 + QG1 VAL 104 OK 75 97 100 77 2.2-4.3 ~10973=19...(17) QD2 LEU 80 + QG1 VAL 104 OK 70 94 75 99 2.6-5.9 11091/2.1=54, ~11092=34...(28) QD1 LEU 80 + QG1 VAL 104 OK 23 92 25 99 2.8-5.4 11092/2.1=62, ~11091=31...(25) QD1 LEU 81 - QG1 VAL 104 far 0 99 0 - 6.0-7.6 QD2 LEU 64 - QG1 VAL 104 far 0 100 0 - 6.1-8.0 QD1 ILE 7 - QG1 VAL 104 far 0 65 0 - 7.6-10.2 Violated in 4 structures by 0.07 A. Peak 10232 from cnoeabs.peaks (2.36, 0.93, 20.69 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.80: HG2 GLU 98 + QG1 VAL 104 OK 80 81 100 100 1.9-5.6 1.8/10233=79...(11) HG3 GLN 100 - QG1 VAL 104 far 0 87 0 - 6.9-9.8 Violated in 3 structures by 0.09 A. Peak 10233 from cnoeabs.peaks (2.44, 0.93, 20.69 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLU 98 + QG1 VAL 104 OK 99 99 100 100 1.9-4.8 1.8/10232=78...(12) HG2 GLN 100 - QG1 VAL 104 far 0 100 0 - 6.5-10.6 Violated in 1 structures by 0.01 A. Peak 10234 from cnoeabs.peaks (2.92, 0.93, 20.69 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.93: HE3 LYS 94 + QG1 VAL 104 OK 93 99 100 94 1.9-5.9 3.8/10228=50...(11) HE2 LYS 65 - QG1 VAL 104 far 0 98 0 - 7.3-14.1 HE3 LYS 65 - QG1 VAL 104 far 0 98 0 - 7.5-13.2 HE3 LYS 96 - QG1 VAL 104 far 0 96 0 - 8.4-10.2 HE2 LYS 96 - QG1 VAL 104 far 0 96 0 - 8.5-10.6 Violated in 3 structures by 0.11 A. Peak 10235 from cnoeabs.peaks (3.04, 0.93, 20.69 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.83: HB3 PHE 93 + QG1 VAL 104 OK 83 100 100 83 4.3-6.5 10089/2.1=38, ~4668=33...(10) Violated in 16 structures by 0.52 A. Peak 10236 from cnoeabs.peaks (3.63, 0.93, 20.69 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.87: HA LYS 94 + QG1 VAL 104 OK 87 90 100 98 1.8-3.0 4.0/10228=41...(17) Violated in 0 structures by 0.00 A. Peak 10238 from cnoeabs.peaks (4.33, 0.93, 20.69 ppm; 4.77 A): 2 out of 5 assignments used, quality = 0.94: HA GLU 98 + QG1 VAL 104 OK 92 92 100 100 3.1-5.5 10161/2.1=79...(16) HA PHE 93 + QG1 VAL 104 OK 25 81 35 88 5.6-7.1 3.0/10235=58...(10) HA SER 99 - QG1 VAL 104 far 0 70 0 - 6.4-8.6 HA GLN 100 - QG1 VAL 104 far 0 73 0 - 8.2-10.0 HB THR 9 - QG1 VAL 104 far 0 99 0 - 9.7-12.6 Violated in 1 structures by 0.01 A. Peak 10239 from cnoeabs.peaks (4.52, 1.95, 34.17 ppm; 5.59 A): 1 out of 1 assignment used, quality = 0.86: HA GLU 103 + HB VAL 104 OK 86 87 100 99 4.1-4.7 3.6/1689=93...(4) Violated in 0 structures by 0.00 A. Peak 10240 from cnoeabs.peaks (4.51, 5.23, 59.28 ppm; 5.95 A): 1 out of 1 assignment used, quality = 0.96: HA GLU 103 + HA VAL 104 OK 96 96 100 100 4.4-4.4 658/3.0=96, 10239/3.0=76...(6) Violated in 0 structures by 0.00 A. Peak 10241 from cnoeabs.peaks (4.90, 0.93, 20.69 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.94: HA ARG 105 + QG1 VAL 104 OK 87 87 100 100 3.1-3.9 3.0/666=96, ~667=69...(10) HA LEU 82 + QG1 VAL 104 OK 52 96 65 83 5.3-8.0 3.9/10231=40, ~9967=31...(9) Violated in 0 structures by 0.00 A. Peak 10242 from cnoeabs.peaks (4.51, 0.93, 20.69 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 103 + QG1 VAL 104 OK 99 100 100 99 3.6-5.3 658/1690=97...(4) HA ASP 84 - QG1 VAL 104 far 0 99 0 - 8.7-11.5 Violated in 12 structures by 0.07 A. Peak 10243 from cnoeabs.peaks (4.50, 0.88, 22.01 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.94: HA GLU 103 + QG2 VAL 104 OK 85 92 100 92 4.2-5.5 658/1691=79...(4) HA GLN 28 + QG2 VAL 29 OK 62 63 100 98 3.0-4.6 158/4.0=74, 9239/2.1=66...(4) HA ASP 84 - QG2 VAL 104 far 0 99 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 10244 from cnoeabs.peaks (6.73, 0.88, 22.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.61: QE TYR 102 + QG2 VAL 104 OK 61 65 95 98 4.0-7.7 2.2/10245=80...(3) QD PHE 79 - QG2 VAL 104 poor 17 81 75 28 6.6-7.9 11591/4691=16, 4723/10246=13 Violated in 8 structures by 0.26 A. Peak 10245 from cnoeabs.peaks (6.99, 0.88, 22.01 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: QD TYR 102 + QG2 VAL 104 OK 96 96 100 100 3.3-6.2 9935/11092=87...(9) Violated in 0 structures by 0.00 A. Peak 10246 from cnoeabs.peaks (7.15, 0.88, 22.01 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.87: QE PHE 93 + QG2 VAL 104 OK 78 84 100 94 3.5-5.5 2.2/4668=53...(9) QE PHE 120 + QG2 VAL 104 OK 41 87 100 47 4.5-7.0 9934/11091=36...(3) Violated in 0 structures by 0.00 A. Peak 10250 from cnoeabs.peaks (7.01, 1.82, 32.95 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.94: HZ PHE 120 + HB3 ARG 105 OK 94 94 100 100 1.9-3.0 4714/3.0=91...(13) HZ PHE 79 - HB3 ARG 105 far 0 57 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 10252 from cnoeabs.peaks (7.13, 1.80, 26.58 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 120 + HG2 ARG 105 OK 94 94 100 100 3.1-4.6 2.2/4714=91, ~10255=69...(15) Violated in 0 structures by 0.00 A. Peak 10253 from cnoeabs.peaks (7.02, 1.80, 26.58 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 120 + HG2 ARG 105 OK 100 100 100 100 2.4-3.8 4714=91, 10255/1.8=89...(13) Violated in 0 structures by 0.00 A. Peak 10254 from cnoeabs.peaks (7.12, 1.75, 26.58 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.65: QE PHE 120 + HG3 ARG 105 OK 65 65 100 100 4.2-5.8 2.2/10255=93, ~4714=87...(13) QE PHE 93 - HG3 ARG 105 far 0 70 0 - 9.9-12.7 Violated in 1 structures by 0.01 A. Peak 10255 from cnoeabs.peaks (7.02, 1.75, 26.58 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 120 + HG3 ARG 105 OK 100 100 100 100 3.8-5.1 4714/1.8=97...(12) Violated in 6 structures by 0.05 A. Peak 10256 from cnoeabs.peaks (7.61, 3.52, 41.44 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.84: HE ARG 105 + HD2 ARG 105 OK 84 84 100 100 2.3-2.9 2.9=100 H LYS 115 - HD2 ARG 105 far 0 99 0 - 8.0-11.2 Violated in 0 structures by 0.00 A. Peak 10257 from cnoeabs.peaks (7.13, 3.52, 41.44 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 120 + HD2 ARG 105 OK 99 99 100 100 2.8-6.0 2.2/10258=82...(10) Violated in 1 structures by 0.02 A. Peak 10258 from cnoeabs.peaks (7.01, 3.52, 41.44 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 120 + HD2 ARG 105 OK 99 99 100 100 2.4-5.5 4714/3.0=93...(10) Violated in 1 structures by 0.00 A. 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 94 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 10261 from cnoeabs.peaks (7.02, 3.34, 41.44 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 120 + HD3 ARG 105 OK 99 99 100 100 3.4-6.1 4714/3.0=98...(10) Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (0.04, 1.82, 32.95 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 116 + HB3 ARG 105 OK 99 99 100 100 1.8-3.4 10273/3.0=84...(15) Violated in 0 structures by 0.00 A. Peak 10273 from cnoeabs.peaks (0.04, 1.80, 26.58 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 116 + HG2 ARG 105 OK 100 100 100 100 1.7-2.3 10274/1.8=77...(18) Violated in 0 structures by 0.00 A. Peak 10274 from cnoeabs.peaks (0.04, 1.75, 26.58 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 116 + HG3 ARG 105 OK 100 100 100 100 2.4-3.4 10273/1.8=80...(15) Violated in 0 structures by 0.00 A. Peak 10275 from cnoeabs.peaks (0.67, 3.52, 41.44 ppm; 5.48 A): 1 out of 3 assignments used, quality = 0.84: QD1 ILE 116 + HD2 ARG 105 OK 84 84 100 100 2.0-5.0 10277/1.8=87...(11) QG2 ILE 97 - HD2 ARG 105 far 4 77 5 - 6.5-10.8 QD2 LEU 114 - HD2 ARG 105 far 0 100 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 10276 from cnoeabs.peaks (0.04, 3.52, 41.44 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 116 + HD2 ARG 105 OK 99 99 100 100 1.8-4.0 10273/3.0=84...(13) Violated in 0 structures by 0.00 A. Peak 10277 from cnoeabs.peaks (0.66, 3.34, 41.44 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.69: QD1 ILE 116 + HD3 ARG 105 OK 69 70 100 100 2.1-5.7 10275/1.8=72...(12) QG2 ILE 97 - HD3 ARG 105 far 0 61 0 - 6.8-11.3 Violated in 3 structures by 0.04 A. Peak 10278 from cnoeabs.peaks (0.04, 3.34, 41.44 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 116 + HD3 ARG 105 OK 96 96 100 100 2.7-4.5 10276/1.8=83...(11) Violated in 0 structures by 0.00 A. Peak 10282 from cnoeabs.peaks (0.87, 5.58, 53.87 ppm; 4.24 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 107 + HA LYS 106 OK 97 99 100 97 5.1-5.4 6545/677=72...(11) QD2 LEU 90 + HA LYS 106 OK 91 92 100 100 2.1-3.6 2.1/11574=57, 10072=49...(23) QG2 VAL 104 - HA LYS 106 poor 15 87 35 49 4.1-6.5 9967/9975=12...(8) QG2 VAL 117 - HA LYS 106 far 0 97 0 - 7.3-9.1 QD1 LEU 14 - HA LYS 106 far 0 84 0 - 7.7-9.9 QG2 THR 9 - HA LYS 106 far 0 94 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 10283 from cnoeabs.peaks (0.78, 5.58, 53.87 ppm; 3.62 A): 2 out of 8 assignments used, quality = 0.95: QD1 LEU 82 + HA LYS 106 OK 79 100 100 79 2.9-4.9 4.6/9974=34, 3.1/9976=26...(8) QG1 VAL 107 + HA LYS 106 OK 77 84 100 92 2.9-4.5 1714/677=52, 10311=28...(18) QD1 LEU 81 - HA LYS 106 poor 17 84 20 - 4.5-6.1 QD2 LEU 80 - HA LYS 106 far 10 100 10 - 4.7-8.7 QD1 LEU 80 - HA LYS 106 far 5 100 5 - 4.5-8.6 QD1 ILE 7 - HA LYS 106 far 0 94 0 - 7.4-11.1 QD2 LEU 64 - HA LYS 106 far 0 97 0 - 8.5-11.0 QD2 LEU 14 - HA LYS 106 far 0 84 0 - 8.6-9.9 Violated in 2 structures by 0.01 A. Peak 10284 from cnoeabs.peaks (0.87, 1.72, 35.30 ppm; 4.17 A): 3 out of 12 assignments used, quality = 1.00: QD2 LEU 90 + HB2 LYS 106 OK 92 92 100 100 1.9-5.4 ~11568=42, 10072/3.0=42...(28) QD2 LEU 90 + HB3 LYS 106 OK 91 91 100 100 2.0-4.6 ~11568=42, 10072/3.0=42...(29) QG2 VAL 107 + HB2 LYS 106 OK 66 99 70 95 5.3-6.6 6545/4.6=46...(12) QG2 VAL 107 - HB3 LYS 106 far 10 99 10 - 5.7-6.7 QG2 VAL 104 - HB3 LYS 106 poor 7 86 25 30 4.3-7.8 10288/2.9=10...(5) QG2 VAL 104 - HB2 LYS 106 far 4 87 5 - 5.6-7.7 QD1 LEU 14 - HB2 LYS 106 far 0 84 0 - 9.1-11.4 QG2 VAL 117 - HB3 LYS 106 far 0 96 0 - 9.2-10.7 QD1 LEU 14 - HB3 LYS 106 far 0 83 0 - 9.3-11.9 QG2 VAL 117 - HB2 LYS 106 far 0 97 0 - 9.5-10.7 QG2 THR 9 - HB2 LYS 106 far 0 94 0 - 9.8-13.1 QG2 THR 9 - HB3 LYS 106 far 0 93 0 - 9.9-12.4 Violated in 1 structures by 0.01 A. Peak 10285 from cnoeabs.peaks (0.78, 1.72, 35.30 ppm; 4.93 A): 4 out of 15 assignments used, quality = 1.00: QD1 LEU 82 + HB3 LYS 106 OK 86 100 95 91 3.0-6.9 10283/3.0=44, ~9976=33...(8) QD1 LEU 82 + HB2 LYS 106 OK 82 100 90 91 4.4-6.8 10283/3.0=44, ~9976=33...(8) QG1 VAL 107 + HB2 LYS 106 OK 68 70 100 98 4.3-5.5 1714/4.6=47, ~10306=44...(12) QG1 VAL 107 + HB3 LYS 106 OK 67 69 100 98 4.4-6.1 1714/4.6=47, ~10306=44...(12) QD2 LEU 80 - HB2 LYS 106 far 5 99 5 - 6.3-10.9 QD1 LEU 80 - HB2 LYS 106 far 5 99 5 - 6.3-10.4 QD1 LEU 80 - HB3 LYS 106 far 5 98 5 - 5.1-10.1 QD2 LEU 80 - HB3 LYS 106 lone 1 99 40 4 5.1-10.5 10289/2.9=2 QD1 LEU 81 - HB3 LYS 106 far 0 93 0 - 6.5-7.9 QD1 LEU 81 - HB2 LYS 106 far 0 94 0 - 6.7-8.0 QD1 ILE 7 - HB3 LYS 106 far 0 83 0 - 9.0-13.1 QD2 LEU 64 - HB3 LYS 106 far 0 99 0 - 9.2-13.2 QD2 LEU 14 - HB2 LYS 106 far 0 70 0 - 9.5-11.8 QD2 LEU 14 - HB3 LYS 106 far 0 69 0 - 9.6-11.4 QD1 ILE 7 - HB2 LYS 106 far 0 84 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 10286 from cnoeabs.peaks (0.88, 1.46, 24.00 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 90 + HG2 LYS 106 OK 99 100 100 100 2.1-4.9 2.1/11568=62...(24) QG2 VAL 107 - HG2 LYS 106 poor 19 84 25 89 5.1-7.4 4.0/680=52, 10306/3.9=33...(8) QG2 VAL 104 - HG2 LYS 106 poor 16 100 35 46 4.2-7.8 ~10227=24, 10288/1.8=16...(5) QG2 VAL 117 - HG2 LYS 106 far 0 73 0 - 9.0-11.3 Violated in 10 structures by 0.12 A. Peak 10287 from cnoeabs.peaks (0.77, 1.46, 24.00 ppm; 5.38 A): 2 out of 6 assignments used, quality = 0.99: QG1 VAL 107 + HG2 LYS 106 OK 93 94 100 99 4.8-6.2 1714/680=78...(10) QD1 LEU 82 + HG2 LYS 106 OK 82 98 95 88 2.4-7.0 10283/3.9=42, ~9966=36...(6) QD2 LEU 80 - HG2 LYS 106 far 15 99 15 - 3.9-10.7 QD1 LEU 81 - HG2 LYS 106 far 7 70 10 - 6.2-8.3 QD1 LEU 80 - HG2 LYS 106 lone 4 100 25 15 6.1-10.2 11092/10286=10, ~10289=3 QD2 LEU 64 - HG2 LYS 106 far 0 90 0 - 8.6-13.1 Violated in 1 structures by 0.01 A. Peak 10288 from cnoeabs.peaks (0.88, 1.40, 24.00 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 90 + HG3 LYS 106 OK 100 100 100 100 2.2-5.5 ~11568=64, 10286/1.8=59...(25) QG2 VAL 104 + HG3 LYS 106 OK 26 100 55 47 4.4-8.1 ~10227=25, 10279/1705=11...(7) QG2 VAL 107 - HG3 LYS 106 far 4 84 5 - 5.2-7.6 QG2 VAL 117 - HG3 LYS 106 far 0 73 0 - 9.9-11.4 Violated in 4 structures by 0.02 A. Peak 10289 from cnoeabs.peaks (0.77, 1.40, 24.00 ppm; 5.94 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 107 + HG3 LYS 106 OK 99 99 100 99 5.3-7.1 10311/3.9=74...(11) QD1 LEU 82 + HG3 LYS 106 OK 83 90 100 92 3.0-6.9 3.1/9966=51...(6) QD1 LEU 80 - HG3 LYS 106 poor 19 96 20 - 5.6-10.7 QD2 LEU 80 - HG3 LYS 106 poor 11 94 50 24 4.6-10.7 11091/10288=13...(3) QD2 LEU 64 - HG3 LYS 106 far 0 73 0 - 9.0-13.7 QD1 ILE 7 - HG3 LYS 106 far 0 100 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 10290 from cnoeabs.peaks (0.86, 1.56, 29.23 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.78: QD2 LEU 90 + HD3 LYS 106 OK 54 61 100 87 3.2-5.3 ~11568=37, 10288/3.0=17...(23) QD2 LEU 90 + HD2 LYS 106 OK 53 61 100 87 2.1-5.3 ~11568=37, 10288/3.0=17...(23) QG2 VAL 107 - HD3 LYS 106 far 0 99 0 - 6.3-8.8 QG2 VAL 107 - HD2 LYS 106 far 0 99 0 - 6.5-8.8 QG2 VAL 117 - HD3 LYS 106 far 0 100 0 - 9.6-12.7 Violated in 8 structures by 0.03 A. Peak 10293 from cnoeabs.peaks (8.86, 5.58, 53.87 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HA LYS 106 OK 100 100 100 100 2.5-5.1 9974=100, 7720/11401=60...(9) Violated in 3 structures by 0.06 A. Peak 10295 from cnoeabs.peaks (8.22, 0.87, 20.76 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.99: H GLU 111 + QG2 VAL 107 OK 85 99 100 86 4.6-5.8 4.5/10399=34...(11) H ASP 84 + QG2 VAL 107 OK 82 84 100 97 4.0-5.4 3.6/10305=65...(12) H GLU 112 + QG2 VAL 107 OK 72 73 100 98 3.4-4.3 10399=43, 10400/2.1=31...(14) H ILE 15 - QG2 VAL 107 far 0 57 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 10296 from cnoeabs.peaks (8.10, 0.87, 20.76 ppm; 3.91 A): 0 out of 0 assignments used, quality = 0.00: Peak 10297 from cnoeabs.peaks (8.04, 0.87, 20.76 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.96: H ASP 109 + QG2 VAL 107 OK 96 96 100 100 2.0-2.8 10354=93, 691/7858=62...(18) H ARG 118 - QG2 VAL 107 far 0 65 0 - 7.9-9.1 H LEU 90 - QG2 VAL 107 far 0 100 0 - 9.0-10.4 H THR 9 - QG2 VAL 107 far 0 100 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 10298 from cnoeabs.peaks (8.11, 0.76, 21.72 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.97: H ALA 113 + QG1 VAL 107 OK 94 94 100 100 2.5-3.8 3.0/10314=84, ~10898=58...(20) H VAL 117 + QG1 VAL 107 OK 51 87 75 78 5.8-6.6 4.4/11186=36...(4) H PHE 93 - QG1 VAL 107 far 0 98 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 10305 from cnoeabs.peaks (5.26, 0.87, 20.76 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 83 + QG2 VAL 107 OK 100 100 100 100 3.4-4.5 10005/2.1=64...(21) HA LEU 81 - QG2 VAL 107 far 0 94 0 - 6.3-7.3 Violated in 6 structures by 0.09 A. Peak 10306 from cnoeabs.peaks (5.59, 0.87, 20.76 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.80: HA LYS 106 + QG2 VAL 107 OK 80 81 100 99 5.1-5.4 3.6/6545=83...(12) Violated in 19 structures by 0.20 A. Peak 10307 from cnoeabs.peaks (3.80, 0.87, 20.76 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.99: HA ALA 113 + QG2 VAL 107 OK 99 100 100 99 2.1-2.9 2.1/10898=75...(17) HA LYS 115 - QG2 VAL 107 far 0 100 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 10308 from cnoeabs.peaks (3.99, 0.87, 20.76 ppm; 5.80 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 112 + QG2 VAL 107 OK 97 98 100 99 3.7-4.3 3.0/10399=62, ~10400=42...(11) HA GLU 111 + QG2 VAL 107 OK 93 100 100 93 5.4-6.6 3.6/10399=58...(7) HA LEU 14 - QG2 VAL 107 far 5 98 5 - 7.2-9.2 Violated in 0 structures by 0.00 A. Peak 10309 from cnoeabs.peaks (4.78, 0.76, 21.72 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.99: HA THR 108 + QG1 VAL 107 OK 99 99 100 100 3.1-4.6 2.9/690=86, 692/10355=70...(18) Violated in 0 structures by 0.00 A. Peak 10310 from cnoeabs.peaks (5.26, 0.76, 21.72 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 83 + QG1 VAL 107 OK 100 100 100 100 1.8-2.3 10305/2.1=76...(22) HA LEU 81 + QG1 VAL 107 OK 56 94 100 60 4.2-5.6 4.3/11458=50, 511/1547=8...(5) Violated in 0 structures by 0.00 A. Peak 10311 from cnoeabs.peaks (5.58, 0.76, 21.72 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 106 + QG1 VAL 107 OK 99 99 100 100 2.9-4.5 677/1714=94...(18) Violated in 0 structures by 0.00 A. Peak 10312 from cnoeabs.peaks (7.19, 0.76, 21.72 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 83 + QG1 VAL 107 OK 95 96 100 100 4.1-5.9 3.5/11020=47...(16) HE21 GLN 83 + QG1 VAL 107 OK 94 94 100 100 3.6-5.4 10313/2.1=51...(17) Violated in 0 structures by 0.00 A. Peak 10313 from cnoeabs.peaks (7.19, 0.87, 20.76 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.98: HE21 GLN 83 + QG2 VAL 107 OK 92 94 100 98 2.3-5.7 5.9/10305=49...(15) HE22 GLN 83 + QG2 VAL 107 OK 79 96 85 98 2.6-6.9 5.9/10305=49...(15) Violated in 4 structures by 0.03 A. Peak 10314 from cnoeabs.peaks (3.80, 0.76, 21.72 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.99: HA ALA 113 + QG1 VAL 107 OK 99 99 100 100 1.9-2.8 10415=83, 10307/2.1=70...(16) HA LYS 115 - QG1 VAL 107 far 0 99 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 10315 from cnoeabs.peaks (1.44, 2.12, 35.23 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.77: HB3 GLN 83 + HB VAL 107 OK 77 77 100 99 4.1-5.6 ~10305=43, ~10005=41...(17) HG3 LYS 17 - HG3 GLU 21 poor 20 66 30 - 3.2-8.0 HG3 LYS 17 - HG2 GLU 21 lone 5 75 40 16 4.1-8.6 10918/10447=15 HG LEU 80 - HB VAL 107 far 0 98 0 - 9.1-12.6 Violated in 13 structures by 0.42 A. Peak 10316 from cnoeabs.peaks (1.70, 2.12, 35.23 ppm; 4.56 A): 2 out of 6 assignments used, quality = 0.84: HB2 LYS 106 + HB VAL 107 OK 72 77 100 94 5.0-5.9 4.6/1712=40, ~10306=37...(11) HB3 LYS 106 + HB VAL 107 OK 43 84 55 94 5.2-6.5 4.6/1712=40, ~10306=37...(11) HD3 LYS 20 - HG2 GLU 21 far 8 54 15 - 5.7-9.3 HD2 LYS 20 - HG2 GLU 21 far 0 57 0 - 6.2-9.0 HD2 LYS 20 - HG3 GLU 21 far 0 49 0 - 6.5-9.5 HD3 LYS 20 - HG3 GLU 21 far 0 47 0 - 7.0-10.0 Violated in 20 structures by 0.40 A. Peak 10322 from cnoeabs.peaks (0.87, 1.25, 21.44 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.97: QG2 VAL 107 + QG2 THR 108 OK 93 99 100 94 3.8-4.5 10354/694=49...(9) QD2 LEU 90 + QG2 THR 108 OK 52 92 95 59 3.2-6.5 11573/11410=24...(8) QD1 LEU 14 - QG2 THR 108 far 0 84 0 - 7.5-8.9 QG2 VAL 104 - QG2 THR 108 far 0 87 0 - 8.2-11.9 QG2 THR 9 - QG2 THR 108 far 0 94 0 - 9.2-10.6 QG2 VAL 117 - QG2 THR 108 far 0 97 0 - 9.6-10.1 Violated in 9 structures by 0.03 A. Peak 10323 from cnoeabs.peaks (0.75, 1.25, 21.44 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.82: QG1 VAL 107 + QG2 THR 108 OK 82 84 100 97 4.1-5.0 4.2/1718=60...(10) QD2 LEU 14 - QG2 THR 108 far 0 84 0 - 6.7-8.2 QG2 ILE 7 - QG2 THR 108 far 0 98 0 - 9.2-10.2 Violated in 15 structures by 0.16 A. Peak 10325 from cnoeabs.peaks (2.05, 1.25, 21.44 ppm; 4.51 A): 2 out of 7 assignments used, quality = 0.90: HB3 GLN 85 + QG2 THR 108 OK 79 81 100 98 3.3-5.4 3.0/10030=73...(6) HB3 GLU 87 + QG2 THR 108 OK 53 81 75 87 3.4-8.3 3.0/11410=52...(5) HB2 GLU 89 - QG2 THR 108 far 0 81 0 - 6.2-9.7 HB3 GLU 89 - QG2 THR 108 far 0 81 0 - 7.5-10.7 HB2 LYS 94 - QG2 THR 108 far 0 73 0 - 8.6-12.0 HB3 GLU 91 - QG2 THR 108 far 0 77 0 - 9.3-13.0 HB2 GLU 92 - QG2 THR 108 far 0 100 0 - 9.6-13.4 Violated in 1 structures by 0.01 A. Peak 10326 from cnoeabs.peaks (2.30, 1.25, 21.44 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.61: HG2 GLU 87 + QG2 THR 108 OK 42 100 50 84 4.1-10.0 10974=50, 4.0/11410=37...(4) HG3 GLU 87 + QG2 THR 108 OK 33 100 40 83 5.0-9.5 1.8/10974=41, 10974=37...(5) HG3 GLU 91 - QG2 THR 108 far 0 90 0 - 6.8-10.9 HG3 GLU 89 - QG2 THR 108 far 0 84 0 - 7.1-11.0 HG2 GLU 111 - QG2 THR 108 far 0 90 0 - 7.6-11.5 Violated in 19 structures by 1.18 A. Peak 10328 from cnoeabs.peaks (2.68, 1.25, 21.44 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.54: HB3 ASP 84 + QG2 THR 108 OK 54 65 95 87 4.3-7.6 4.1/10019=65...(4) HB3 ASP 110 - QG2 THR 108 far 5 100 5 - 6.6-9.3 Violated in 2 structures by 0.08 A. Peak 10329 from cnoeabs.peaks (2.96, 1.25, 21.44 ppm; 5.00 A): 0 out of 2 assignments used, quality = 0.00: HE2 LYS 106 - QG2 THR 108 lone 2 84 75 3 4.6-10.2 11183/10322=2 HE3 LYS 106 - QG2 THR 108 lone 1 87 50 3 3.5-8.8 11183/10322=2 Violated in 13 structures by 0.68 A. Peak 10330 from cnoeabs.peaks (4.05, 1.25, 21.44 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.80: HA GLU 87 + QG2 THR 108 OK 80 87 95 97 4.2-7.6 11410=81, 4.0/10326=44...(6) Violated in 3 structures by 0.13 A. Peak 10331 from cnoeabs.peaks (4.32, 1.25, 21.44 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.81: HA GLN 85 + QG2 THR 108 OK 81 84 100 97 2.0-3.6 10030=77, 3.0/11122=45...(7) HB THR 9 - QG2 THR 108 far 0 100 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 10332 from cnoeabs.peaks (4.34, 4.22, 69.97 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.93: HA GLN 85 + HB THR 108 OK 93 94 100 99 2.7-4.2 10030/2.1=91, ~11122=62...(6) Violated in 0 structures by 0.00 A. Peak 10334 from cnoeabs.peaks (7.21, 1.25, 21.44 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.91: HE21 GLN 83 + QG2 THR 108 OK 85 99 95 90 4.3-6.8 10014=46, 10002/3.2=44...(8) HE22 GLN 83 + QG2 THR 108 OK 39 99 45 88 5.4-8.2 1.7/10014=41, 10014=34...(8) QD PHE 93 - QG2 THR 108 far 0 73 0 - 9.1-12.1 Violated in 11 structures by 0.28 A. Peak 10336 from cnoeabs.peaks (8.21, 1.25, 21.44 ppm; 5.86 A): 1 out of 3 assignments used, quality = 0.99: H ASP 84 + QG2 THR 108 OK 99 99 100 100 3.5-5.4 10019=94, 10023/3.2=92...(10) H GLU 89 - QG2 THR 108 poor 18 90 35 56 6.7-10.1 2130/11410=46...(4) H GLU 111 - QG2 THR 108 far 5 100 5 - 6.4-8.7 Violated in 0 structures by 0.00 A. Peak 10338 from cnoeabs.peaks (8.70, 1.25, 21.44 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.96: H ASP 86 + QG2 THR 108 OK 96 97 100 99 3.8-6.2 3.6/10030=82, 10045=73...(7) H ASP 110 - QG2 THR 108 far 5 100 5 - 4.9-7.2 H ARG 105 - QG2 THR 108 far 0 97 0 - 9.7-11.9 Violated in 1 structures by 0.04 A. Peak 10342 from cnoeabs.peaks (8.22, 2.82, 43.69 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.99: H GLU 112 + HB2 ASP 109 OK 89 90 100 100 1.9-3.7 10403=81, 10402/1.8=76...(11) H GLU 111 + HB2 ASP 109 OK 87 92 100 95 2.9-4.3 1953/697=67...(7) H ASP 84 - HB2 ASP 109 far 0 65 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 10343 from cnoeabs.peaks (8.22, 2.73, 43.69 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.97: H GLU 111 + HB3 ASP 109 OK 90 99 100 91 3.0-4.8 1953/698=68...(6) H GLU 112 + HB3 ASP 109 OK 71 73 100 96 1.9-4.2 10402=61, 2180/698=46...(10) H ASP 84 - HB3 ASP 109 far 0 84 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 10344 from cnoeabs.peaks (8.62, 2.73, 43.69 ppm; 5.45 A): 1 out of 2 assignments used, quality = 0.67: H THR 108 + HB3 ASP 109 OK 67 73 100 91 4.3-5.5 4.6/1722=80, 4.2/10364=56 H GLN 85 - HB3 ASP 109 far 0 100 0 - 9.4-10.9 Violated in 4 structures by 0.01 A. Peak 10356 from cnoeabs.peaks (2.39, 2.82, 43.69 ppm; 4.97 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 85 - HB2 ASP 109 far 0 84 0 - 7.2-11.3 HG3 GLN 85 - HB2 ASP 109 far 0 90 0 - 7.4-11.8 Violated in 20 structures by 2.77 A. Peak 10357 from cnoeabs.peaks (2.32, 2.82, 43.69 ppm; 5.53 A): 2 out of 3 assignments used, quality = 0.96: HG3 GLU 112 + HB2 ASP 109 OK 80 81 100 99 2.0-6.7 4.9/10403=63...(11) HG2 GLU 112 + HB2 ASP 109 OK 79 84 95 99 1.9-7.2 4.9/10403=63...(11) HG2 GLN 83 - HB2 ASP 109 poor 13 87 45 34 5.9-8.4 10351/1721=21...(3) Violated in 4 structures by 0.03 A. Peak 10358 from cnoeabs.peaks (2.08, 2.82, 43.69 ppm; 4.05 A): 3 out of 3 assignments used, quality = 1.00: HB2 GLU 112 + HB2 ASP 109 OK 96 100 100 96 1.9-4.7 4.0/10403=43...(13) HB3 GLU 112 + HB2 ASP 109 OK 91 100 95 96 2.0-6.0 4.0/10403=43...(12) HB2 GLU 111 + HB2 ASP 109 OK 53 77 100 69 3.1-5.4 4.6/10403=37...(4) Violated in 0 structures by 0.00 A. Peak 10360 from cnoeabs.peaks (0.86, 2.82, 43.69 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.98: QG2 VAL 107 + HB2 ASP 109 OK 98 99 100 99 3.1-4.8 10354/1721=86...(9) QD1 LEU 14 - HB2 ASP 109 poor 18 99 30 61 6.3-7.5 10368/697=38...(4) QD2 LEU 90 - HB2 ASP 109 far 0 61 0 - 8.4-10.6 QG2 VAL 117 - HB2 ASP 109 far 0 100 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 10362 from cnoeabs.peaks (2.31, 2.73, 43.69 ppm; 5.51 A): 0 out of 0 assignments used, quality = 0.00: Peak 10363 from cnoeabs.peaks (2.08, 2.73, 43.69 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.99: HB2 GLU 112 + HB3 ASP 109 OK 95 100 100 95 2.0-4.7 4.0/10402=42...(15) HB3 GLU 112 + HB3 ASP 109 OK 80 100 85 94 2.0-6.2 4.0/10402=42...(15) HB2 GLU 111 + HB3 ASP 109 OK 49 77 95 67 3.3-6.6 4.6/10402=36...(4) Violated in 2 structures by 0.00 A. Peak 10364 from cnoeabs.peaks (0.86, 2.73, 43.69 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.93: QG2 VAL 107 + HB3 ASP 109 OK 93 94 100 99 3.2-5.0 10354/1722=74...(12) QD1 LEU 14 - HB3 ASP 109 poor 13 100 20 63 6.1-7.9 10368/698=35...(4) QG2 VAL 117 - HB3 ASP 109 far 0 98 0 - 8.5-10.4 Violated in 1 structures by 0.00 A. Peak 10371 from cnoeabs.peaks (0.85, 4.09, 57.39 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.99: QD1 LEU 14 + HA ASP 110 OK 99 99 100 99 2.6-3.6 9168=85, 2.1/10372=50...(15) QG2 VAL 107 + HA ASP 110 OK 42 84 75 67 4.0-5.3 10898/8234=32...(9) QG2 THR 9 - HA ASP 110 far 0 96 0 - 6.7-7.9 QG2 VAL 117 - HA ASP 110 far 0 92 0 - 7.0-7.6 QG2 ILE 57 - HA ASP 110 far 0 77 0 - 9.9-11.3 Violated in 1 structures by 0.00 A. Peak 10372 from cnoeabs.peaks (0.77, 4.09, 57.39 ppm; 3.61 A): 2 out of 5 assignments used, quality = 0.99: QD2 LEU 14 + HA ASP 110 OK 99 99 100 99 1.9-3.1 2.1/9168=69, 9169=63...(15) QG1 VAL 107 + HA ASP 110 OK 23 99 35 67 4.0-5.8 10899/8233=28...(8) QD1 ILE 15 - HA ASP 110 far 0 100 0 - 8.6-10.3 QD1 LEU 82 - HA ASP 110 far 0 90 0 - 9.2-11.8 QD1 ILE 7 - HA ASP 110 far 0 100 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10374 from cnoeabs.peaks (1.68, 2.42, 40.30 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: HD2 LYS 17 + HB2 ASP 110 OK 100 100 100 100 3.4-5.1 11478/10377=82...(7) HD3 LYS 16 - HB2 ASP 110 far 0 94 0 - 9.7-12.4 HD2 LYS 16 - HB2 ASP 110 far 0 98 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 10375 from cnoeabs.peaks (1.51, 2.42, 40.30 ppm; 5.81 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 17 + HB2 ASP 110 OK 98 99 100 99 3.5-5.5 1.8/10374=75, ~10382=66...(7) HB3 LEU 14 + HB2 ASP 110 OK 77 77 100 100 5.0-7.2 3.1/10910=95, ~11419=74...(11) Violated in 0 structures by 0.00 A. Peak 10376 from cnoeabs.peaks (1.40, 2.42, 40.30 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 113 + HB2 ASP 110 OK 98 98 100 100 4.2-5.0 8234/3.0=89...(11) HB3 LEU 114 - HB2 ASP 110 poor 8 97 30 27 5.6-7.9 8241/10386=17, ~10382=11 HB3 GLN 83 - HB2 ASP 110 far 0 73 0 - 7.0-8.2 HG3 LYS 16 - HB2 ASP 110 far 0 96 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 10377 from cnoeabs.peaks (0.85, 2.42, 40.30 ppm; 4.02 A): 1 out of 6 assignments used, quality = 0.99: QD1 LEU 14 + HB2 ASP 110 OK 99 99 100 100 2.8-3.9 10910=99, 11419/1.8=74...(15) QG2 VAL 107 - HB2 ASP 110 far 0 84 0 - 5.9-7.2 QG2 THR 9 - HB2 ASP 110 far 0 96 0 - 6.9-8.2 QG2 VAL 117 - HB2 ASP 110 far 0 92 0 - 7.7-8.9 QG2 ILE 15 - HB2 ASP 110 far 0 96 0 - 9.2-10.5 QG2 ILE 57 - HB2 ASP 110 far 0 77 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10378 from cnoeabs.peaks (0.78, 2.42, 40.30 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.84: QD2 LEU 14 + HB2 ASP 110 OK 84 84 100 100 1.9-3.3 2.1/10910=94...(15) QG1 VAL 107 - HB2 ASP 110 poor 13 84 30 52 5.9-7.7 11513/10376=22...(4) QD1 LEU 81 - HB2 ASP 110 far 0 84 0 - 8.3-9.8 QD1 ILE 15 - HB2 ASP 110 far 0 87 0 - 8.7-10.2 QD1 ILE 7 - HB2 ASP 110 far 0 94 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 10382 from cnoeabs.peaks (1.67, 2.68, 40.30 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.76: HD2 LYS 17 + HB3 ASP 110 OK 76 92 95 87 4.2-6.2 1.8/10383=41...(5) HG LEU 114 - HB3 ASP 110 poor 20 61 60 53 4.8-8.3 11519/11419=47...(3) HD2 LYS 115 - HB3 ASP 110 far 0 81 0 - 7.3-13.5 HD3 LYS 115 - HB3 ASP 110 far 0 90 0 - 7.8-12.6 Violated in 15 structures by 0.57 A. Peak 10383 from cnoeabs.peaks (1.51, 2.68, 40.30 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.96: HD3 LYS 17 + HB3 ASP 110 OK 92 96 100 96 4.2-6.7 1.8/10382=74, ~10374=51...(5) HB3 LEU 14 + HB3 ASP 110 OK 49 90 55 100 5.7-8.7 3.1/11419=88...(11) Violated in 4 structures by 0.04 A. Peak 10384 from cnoeabs.peaks (1.40, 2.68, 40.30 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 113 + HB3 ASP 110 OK 92 92 100 100 4.6-5.3 8234/3.0=82...(9) HB3 LEU 114 - HB3 ASP 110 far 5 100 5 - 6.4-9.2 HG3 LYS 16 - HB3 ASP 110 far 0 99 0 - 9.4-11.9 Violated in 9 structures by 0.05 A. Peak 10386 from cnoeabs.peaks (3.98, 2.42, 40.30 ppm; 5.70 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 14 + HB2 ASP 110 OK 94 96 100 98 4.2-5.5 4.0/10910=84...(7) HA GLU 111 + HB2 ASP 110 OK 89 90 100 100 4.1-5.5 2.9/7867=93, ~7868=75...(9) HA LYS 17 - HB2 ASP 110 far 0 77 0 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 10391 from cnoeabs.peaks (4.74, 4.09, 57.39 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 109 + HA ASP 110 OK 100 100 100 100 4.3-4.3 696/3.0=99, ~698=53...(6) HA THR 9 - HA ASP 110 far 0 100 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 10392 from cnoeabs.peaks (7.20, 4.09, 57.39 ppm; 5.45 A): 2 out of 2 assignments used, quality = 0.84: HE21 GLN 83 + HA ASP 110 OK 61 100 100 61 2.5-5.7 11005/9169=33...(6) HE22 GLN 83 + HA ASP 110 OK 61 100 100 61 1.8-6.1 11005/9169=34...(6) Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (8.23, 1.41, 18.60 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: H GLU 112 + QB ALA 113 OK 100 100 100 100 4.1-4.5 10398=95, 709/1741=92...(14) H GLU 111 + QB ALA 113 OK 65 65 100 99 4.6-5.0 3.6/8233=77...(9) H ILE 15 - QB ALA 113 far 0 97 0 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (8.69, 1.41, 18.60 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.97: H ASP 110 + QB ALA 113 OK 97 97 100 100 4.7-5.1 3.0/8233=100, 10367=95...(16) H ARG 105 - QB ALA 113 poor 15 73 20 - 7.4-8.9 H ASP 86 - QB ALA 113 far 0 100 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 10408 from cnoeabs.peaks (7.61, 1.41, 18.60 ppm; 5.02 A): 1 out of 4 assignments used, quality = 0.94: H LYS 115 + QB ALA 113 OK 94 94 100 100 4.1-4.5 1957/7880=80...(17) HE ARG 105 - QB ALA 113 far 5 94 5 - 5.9-10.2 HE21 GLN 85 - QB ALA 113 far 0 73 0 - 6.7-12.0 H LYS 16 - QB ALA 113 far 0 99 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (7.21, 1.41, 18.60 ppm; 5.89 A): 2 out of 3 assignments used, quality = 0.94: HE21 GLN 83 + QB ALA 113 OK 76 81 100 95 3.6-5.2 3.5/5628=38, 3.5/5620=38...(13) HE22 GLN 83 + QB ALA 113 OK 73 77 100 94 2.8-5.8 3.5/5628=38, 3.5/5620=38...(13) QD PHE 93 - QB ALA 113 far 0 98 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 10412 from cnoeabs.peaks (2.10, 3.80, 55.38 ppm; 5.17 A): 3 out of 8 assignments used, quality = 0.99: HB2 GLU 112 + HA ALA 113 OK 83 84 100 99 4.2-5.7 711/3.0=41...(17) HB3 GLU 112 + HA ALA 113 OK 80 81 100 100 3.8-4.6 711/3.0=41...(18) HB VAL 107 + HA ALA 113 OK 61 61 100 100 2.9-3.6 2.1/10307=99...(14) HB2 GLU 111 - HA ALA 113 far 0 100 0 - 7.4-8.6 HG3 GLU 21 - HA ALA 113 far 0 97 0 - 8.1-10.5 HG2 GLU 21 - HA ALA 113 far 0 94 0 - 8.7-11.6 HB2 GLU 21 - HA ALA 113 far 0 61 0 - 9.2-10.5 HB3 GLU 119 - HA ALA 113 far 0 70 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10413 from cnoeabs.peaks (0.96, 3.80, 55.38 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.98: HG13 ILE 116 + HA ALA 113 OK 98 98 100 100 2.1-4.7 2.9/8252=95...(21) Violated in 0 structures by 0.00 A. Peak 10414 from cnoeabs.peaks (0.85, 3.80, 55.38 ppm; 3.79 A): 3 out of 6 assignments used, quality = 0.99: QG2 VAL 107 + HA ALA 113 OK 84 84 100 100 2.1-2.9 10307=78, 2.1/10314=73...(15) QD1 LEU 14 + HA ALA 113 OK 82 99 100 83 4.1-5.0 11517/2.1=46, ~11518=37...(8) QG2 VAL 117 + HA ALA 113 OK 81 92 100 89 3.9-4.4 10522/2.1=58...(9) QG2 THR 9 - HA ALA 113 far 0 96 0 - 6.7-8.2 QG2 ILE 5 - HA ALA 113 far 0 81 0 - 8.1-9.2 QG2 ILE 57 - HA ALA 113 far 0 77 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 10415 from cnoeabs.peaks (0.75, 3.80, 55.38 ppm; 3.72 A): 1 out of 6 assignments used, quality = 0.94: QG1 VAL 107 + HA ALA 113 OK 94 94 100 100 1.9-2.8 10314=91, 2.1/10307=74...(16) QG2 ILE 7 - HA ALA 113 far 0 92 0 - 5.4-6.4 QD2 LEU 14 - HA ALA 113 far 0 94 0 - 5.7-6.1 QD1 ILE 7 - HA ALA 113 far 0 84 0 - 6.5-8.4 QD2 LEU 55 - HA ALA 113 far 0 65 0 - 9.6-11.2 QD1 ILE 15 - HA ALA 113 far 0 92 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10416 from cnoeabs.peaks (0.68, 3.80, 55.38 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 116 + HA ALA 113 OK 99 100 100 99 1.9-4.4 10475=58, 11417/10307=52...(22) QD2 LEU 114 + HA ALA 113 OK 31 84 45 83 4.3-6.7 6692/3.6=38, 6695/2.1=22...(10) QD1 LEU 55 - HA ALA 113 far 0 100 0 - 9.6-10.9 Violated in 3 structures by 0.01 A. Peak 10417 from cnoeabs.peaks (0.03, 3.80, 55.38 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.70: QG2 ILE 116 + HA ALA 113 OK 70 70 100 100 4.0-4.7 2.1/8252=99...(23) Violated in 0 structures by 0.00 A. Peak 10418 from cnoeabs.peaks (0.85, 1.41, 18.60 ppm; 2.87 A): 3 out of 9 assignments used, quality = 0.99: QD1 LEU 14 + QB ALA 113 OK 92 99 100 93 1.8-2.7 2.1/11518=34...(21) QG2 VAL 107 + QB ALA 113 OK 80 84 100 96 2.0-3.1 10898=50, 10307/2.1=35...(28) QG2 VAL 117 + QB ALA 113 OK 67 92 100 73 3.6-4.1 10522=29, 10524/10421=20...(12) QG2 THR 9 - QB ALA 113 far 5 96 5 - 4.3-5.5 QG2 ILE 57 - QB ALA 113 far 0 77 0 - 6.9-8.3 QG2 ILE 5 - QB ALA 113 far 0 81 0 - 7.2-8.2 QG2 ILE 15 - QB ALA 113 far 0 96 0 - 7.5-8.5 QG2 VAL 22 - QB ALA 113 far 0 100 0 - 8.2-9.7 HG13 ILE 57 - QB ALA 113 far 0 99 0 - 8.3-11.9 Violated in 0 structures by 0.00 A. Peak 10419 from cnoeabs.peaks (0.72, 1.41, 18.60 ppm; 3.03 A): 1 out of 8 assignments used, quality = 0.65: QD2 LEU 81 + QB ALA 113 OK 65 87 100 75 2.4-3.2 9956/2.1=34, ~11606=27...(11) HG13 ILE 18 - QB ALA 113 poor 18 90 20 - 4.3-5.7 QG2 ILE 18 - QB ALA 113 far 0 100 0 - 5.3-6.5 QG1 VAL 117 - QB ALA 113 far 0 100 0 - 5.3-6.0 QD1 ILE 57 - QB ALA 113 far 0 90 0 - 7.5-9.2 QD2 LEU 55 - QB ALA 113 far 0 65 0 - 7.7-8.9 QD1 LEU 6 - QB ALA 113 far 0 100 0 - 8.2-9.1 QD2 LEU 6 - QB ALA 113 far 0 70 0 - 9.9-11.0 Violated in 7 structures by 0.03 A. Peak 10420 from cnoeabs.peaks (0.67, 1.41, 18.60 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.90: QD2 LEU 114 + QB ALA 113 OK 82 99 90 93 2.3-5.2 6692/7880=38...(16) QD1 ILE 116 + QB ALA 113 OK 44 77 60 95 3.1-5.3 11417/10898=38...(24) QD1 LEU 55 - QB ALA 113 far 0 61 0 - 8.0-9.3 QG2 ILE 97 - QB ALA 113 far 0 70 0 - 9.6-11.2 QD1 ILE 56 - QB ALA 113 far 0 99 0 - 9.9-12.8 Violated in 2 structures by 0.00 A. Peak 10421 from cnoeabs.peaks (0.61, 1.41, 18.60 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.91: QD1 ILE 18 + QB ALA 113 OK 91 97 100 93 2.8-4.4 2.1/11010=51...(11) QD1 ILE 5 - QB ALA 113 far 0 65 0 - 8.7-10.4 Violated in 1 structures by 0.01 A. Peak 10422 from cnoeabs.peaks (1.64, 1.41, 18.60 ppm; 4.75 A): 2 out of 8 assignments used, quality = 0.99: HB ILE 116 + QB ALA 113 OK 92 92 100 100 4.0-4.9 8252/2.1=70...(24) HG LEU 114 + QB ALA 113 OK 89 90 100 99 3.1-6.2 6678/7880=64...(16) HD2 LYS 115 - QB ALA 113 poor 14 73 30 66 5.1-8.4 6.0/10408=34...(12) HD3 LYS 115 - QB ALA 113 far 9 61 15 - 5.7-8.0 HB2 LEU 82 - QB ALA 113 far 6 61 10 - 6.0-7.0 HG LEU 90 - QB ALA 113 far 0 100 0 - 8.1-9.6 HG2 LYS 16 - QB ALA 113 far 0 84 0 - 9.1-11.2 HB ILE 5 - QB ALA 113 far 0 98 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10423 from cnoeabs.peaks (2.10, 1.41, 18.60 ppm; 4.08 A): 3 out of 8 assignments used, quality = 0.98: HB3 GLU 112 + QB ALA 113 OK 79 81 100 98 3.9-4.8 4.6/1741=53...(20) HB2 GLU 112 + QB ALA 113 OK 78 84 95 98 3.9-5.6 4.6/1741=53...(21) HB VAL 107 + QB ALA 113 OK 61 61 100 100 3.2-4.0 2.1/10898=75, ~10307=51...(16) HB2 GLU 111 - QB ALA 113 far 0 100 0 - 5.9-6.5 HG3 GLU 21 - QB ALA 113 far 0 97 0 - 6.7-8.8 HG2 GLU 21 - QB ALA 113 far 0 94 0 - 7.0-9.3 HB2 GLU 21 - QB ALA 113 far 0 61 0 - 7.3-8.9 HB3 GLU 119 - QB ALA 113 far 0 70 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10425 from cnoeabs.peaks (2.33, 1.41, 18.60 ppm; 4.94 A): 3 out of 5 assignments used, quality = 1.00: HG2 GLN 83 + QB ALA 113 OK 96 97 100 99 2.9-4.6 1.8/5628=40, 5620=40...(15) HG2 GLU 112 + QB ALA 113 OK 95 96 100 99 4.1-6.3 4.9/10398=52...(18) HG3 GLU 112 + QB ALA 113 OK 93 94 100 99 3.9-6.3 4.9/10398=52...(19) HG3 GLU 13 - QB ALA 113 far 0 61 0 - 8.5-9.7 HB3 PHE 120 - QB ALA 113 far 0 81 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 10427 from cnoeabs.peaks (3.71, 1.41, 18.60 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 114 + QB ALA 113 OK 100 100 100 100 3.7-3.8 3.0/7880=92...(16) Violated in 0 structures by 0.00 A. Peak 10428 from cnoeabs.peaks (3.98, 1.41, 18.60 ppm; 4.58 A): 2 out of 4 assignments used, quality = 0.98: HA GLU 111 + QB ALA 113 OK 88 90 100 98 4.4-5.0 3.6/10398=61...(16) HA LEU 14 + QB ALA 113 OK 82 96 100 86 4.4-5.3 9196/10421=45...(8) HA LYS 17 - QB ALA 113 far 0 77 0 - 7.7-9.4 HA GLU 21 - QB ALA 113 far 0 81 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10434 from cnoeabs.peaks (8.79, 0.67, 23.24 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: H ILE 18 + QD2 LEU 114 OK 100 100 100 100 2.1-4.2 3.0/10439=78...(15) Violated in 0 structures by 0.00 A. Peak 10435 from cnoeabs.peaks (8.11, 0.81, 24.73 ppm; 5.89 A): 2 out of 5 assignments used, quality = 1.00: H ALA 113 + QD1 LEU 114 OK 99 99 100 100 4.5-6.1 715/4.5=87, ~10420=52...(14) H VAL 117 + QD1 LEU 114 OK 84 97 100 87 4.6-6.9 2206/3.9=69, 2198/4.9=36...(4) H PHE 93 - QD1 LEU 64 far 0 52 0 - 7.5-9.7 H SER 99 - QD1 LEU 64 far 0 43 0 - 8.6-11.1 H VAL 117 - QD1 LEU 64 far 0 60 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 10436 from cnoeabs.peaks (8.02, 0.81, 24.73 ppm; 4.82 A): 1 out of 6 assignments used, quality = 0.40: H LYS 65 + QD1 LEU 64 OK 40 40 100 100 1.8-4.7 4.7=100 H ILE 116 - QD1 LEU 114 poor 20 65 30 - 4.3-6.9 H ARG 118 - QD1 LEU 114 poor 14 99 25 55 4.2-7.4 2212/3.9=37...(3) H VAL 22 - QD1 LEU 114 far 8 77 10 - 5.7-7.4 H ASP 109 - QD1 LEU 114 far 0 81 0 - 8.1-9.9 H SER 72 - QD1 LEU 64 far 0 65 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 10437 from cnoeabs.peaks (8.80, 0.81, 24.73 ppm; 5.87 A): 3 out of 4 assignments used, quality = 0.86: H ILE 18 + QD1 LEU 114 OK 65 65 100 100 3.5-5.8 3.0/11028=82, ~11027=80...(10) H SER 58 + QD1 LEU 64 OK 48 60 85 95 4.4-7.8 4.0/10438=84...(4) H ASN 59 + QD1 LEU 64 OK 20 56 40 89 6.5-8.4 4.5/10438=77...(3) H LYS 106 - QD1 LEU 64 far 0 63 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 10438 from cnoeabs.peaks (3.41, 0.81, 24.73 ppm; 4.21 A): 0 out of 1 assignment used, quality = 0.00: HB3 SER 58 - QD1 LEU 64 poor 19 58 35 91 5.0-7.5 1.8/9599=46, ~11268=28...(12) Violated in 20 structures by 1.95 A. Peak 10439 from cnoeabs.peaks (3.38, 0.67, 23.24 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 18 + QD2 LEU 114 OK 99 99 100 100 1.9-4.7 11027=92, 11028/2.1=57...(17) Violated in 7 structures by 0.16 A. Peak 10440 from cnoeabs.peaks (3.97, 0.67, 23.24 ppm; 3.79 A): 4 out of 4 assignments used, quality = 0.98: HA GLU 111 + QD2 LEU 114 OK 75 81 95 98 1.8-5.4 11422/2.1=52...(14) HA LEU 14 + QD2 LEU 114 OK 71 90 100 79 2.0-4.4 7979/10914=32...(12) HA LYS 17 + QD2 LEU 114 OK 63 65 100 97 3.4-5.0 3.0/10914=49...(12) HA GLU 21 + QD2 LEU 114 OK 29 90 35 92 4.4-7.2 3.0/10446=62...(7) Violated in 0 structures by 0.00 A. Peak 10441 from cnoeabs.peaks (4.00, 0.81, 24.73 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.98: HA GLU 111 + QD1 LEU 114 OK 95 96 100 100 1.9-4.3 11422=79, 8238/3.1=52...(15) HA LYS 17 + QD1 LEU 114 OK 64 99 85 76 3.8-6.2 ~10914=26, ~10915=24...(10) HA GLU 112 - QD1 LEU 114 poor 18 100 25 73 4.4-6.7 8244/4.9=29...(11) HA LEU 14 - QD1 LEU 114 poor 16 90 70 25 2.3-6.1 2871/11515=9, 8239/3.1=6...(6) HB3 SER 99 - QD1 LEU 64 far 0 65 0 - 8.8-12.6 HB2 SER 99 - QD1 LEU 64 far 0 65 0 - 9.4-13.3 HA3 GLY 101 - QD1 LEU 64 far 0 48 0 - 9.5-11.9 Violated in 1 structures by 0.03 A. Peak 10445 from cnoeabs.peaks (0.87, 3.71, 57.67 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 117 + HA LEU 114 OK 100 100 100 100 2.1-2.3 10515=100, 2.1/8258=75...(13) QD1 LEU 14 + HA LEU 114 OK 82 94 100 88 2.6-4.0 11519/3.7=53...(8) QG2 THR 9 - HA LEU 114 far 0 99 0 - 6.0-7.6 QG2 VAL 107 - HA LEU 114 far 0 100 0 - 6.0-6.9 QG2 VAL 22 - HA LEU 114 far 0 81 0 - 6.5-8.0 HG13 ILE 57 - HA LEU 114 far 0 94 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 10446 from cnoeabs.peaks (1.96, 0.67, 23.24 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.40: HB3 GLU 21 + QD2 LEU 114 OK 40 77 60 86 2.3-6.5 9188/10439=36...(10) HB VAL 29 - QD2 LEU 114 far 0 99 0 - 9.4-12.3 Violated in 13 structures by 1.10 A. Peak 10447 from cnoeabs.peaks (2.10, 0.67, 23.24 ppm; 3.42 A): 3 out of 10 assignments used, quality = 0.99: HG3 GLU 21 + QD2 LEU 114 OK 88 100 95 93 1.9-5.4 3.0/10446=51, 11416=39...(11) HG2 GLU 21 + QD2 LEU 114 OK 74 99 80 93 2.3-5.8 3.0/10446=51, 11416=33...(12) HB2 GLU 21 + QD2 LEU 114 OK 52 81 70 92 2.4-5.8 1.8/10446=68...(9) HB2 GLU 111 - QD2 LEU 114 far 15 100 15 - 3.5-7.7 HG3 GLN 83 - QD2 LEU 114 far 0 77 0 - 5.0-9.1 HB2 GLU 112 - QD2 LEU 114 far 0 65 0 - 5.8-8.7 HB3 GLU 112 - QD2 LEU 114 far 0 61 0 - 5.8-8.9 HB VAL 107 - QD2 LEU 114 far 0 81 0 - 6.8-9.3 HB2 GLU 119 - QD2 LEU 114 far 0 77 0 - 7.9-10.6 HB3 GLU 119 - QD2 LEU 114 far 0 87 0 - 9.2-12.0 Violated in 10 structures by 0.16 A. Peak 10448 from cnoeabs.peaks (2.88, 0.81, 24.73 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.47: HB2 ASN 8 + QD1 LEU 64 OK 47 48 100 98 2.1-4.5 1.8/9104=86, ~11393=41...(9) HB3 ASN 59 - QD1 LEU 64 far 0 58 0 - 7.7-9.8 Violated in 9 structures by 0.09 A. Peak 10449 from cnoeabs.peaks (2.26, 0.81, 24.73 ppm; 3.71 A): 2 out of 5 assignments used, quality = 0.75: HB3 ASN 8 + QD1 LEU 64 OK 50 50 100 99 1.7-3.7 9104=82, 1.8/10448=67...(11) HG3 GLU 111 + QD1 LEU 114 OK 50 96 75 69 2.5-5.9 3.9/11422=43...(4) HG2 GLU 69 - QD1 LEU 64 far 0 50 0 - 5.4-10.3 HG3 GLU 92 - QD1 LEU 64 far 0 63 0 - 8.3-13.3 HG2 GLU 103 - QD1 LEU 64 far 0 62 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 10450 from cnoeabs.peaks (2.09, 0.81, 24.73 ppm; 3.48 A): 3 out of 12 assignments used, quality = 0.94: HG3 GLU 21 + QD1 LEU 114 OK 66 90 95 78 2.2-5.0 ~10446=28, 10447/2.1=25...(8) HB2 GLU 111 + QD1 LEU 114 OK 58 98 65 92 3.3-6.2 3.0/11422=47...(12) HG2 GLU 21 + QD1 LEU 114 OK 55 84 85 78 3.0-6.1 ~10446=28, 10447/2.1=21...(8) HB3 GLU 66 - QD1 LEU 64 far 0 65 0 - 5.8-8.9 HB2 GLU 112 - QD1 LEU 114 far 0 94 0 - 6.1-7.7 HB3 GLU 112 - QD1 LEU 114 far 0 92 0 - 6.3-7.9 HB3 PHE 79 - QD1 LEU 64 far 0 35 0 - 7.4-10.8 HG2 GLU 119 - QD1 LEU 114 far 0 70 0 - 7.5-10.8 HB3 GLU 69 - QD1 LEU 64 far 0 63 0 - 7.5-10.6 HB3 MET 121 - QD1 LEU 114 far 0 73 0 - 8.0-12.2 HB2 GLU 103 - QD1 LEU 64 far 0 61 0 - 9.0-11.4 HB3 GLU 92 - QD1 LEU 64 far 0 45 0 - 9.0-12.0 Violated in 4 structures by 0.10 A. Peak 10452 from cnoeabs.peaks (0.78, 3.80, 59.88 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.81: QD1 LEU 81 + HA LYS 115 OK 81 94 100 86 5.5-5.9 10478/3.6=59...(8) QD1 ILE 7 - HA LYS 115 far 0 84 0 - 7.4-9.6 QG1 VAL 107 - HA LYS 115 far 0 70 0 - 7.5-8.1 QD2 LEU 14 - HA LYS 115 far 0 70 0 - 8.4-9.9 Violated in 20 structures by 1.02 A. Peak 10455 from cnoeabs.peaks (0.51, 3.80, 59.88 ppm; 4.18 A): 0 out of 0 assignments used, quality = 0.00: Peak 10456 from cnoeabs.peaks (0.36, 3.80, 59.88 ppm; 5.81 A): 0 out of 0 assignments used, quality = 0.00: Peak 10457 from cnoeabs.peaks (0.90, 1.93, 32.18 ppm; 3.62 A): 1 out of 13 assignments used, quality = 0.65: QD2 LEU 38 + HB2 LYS 39 OK 65 78 100 84 2.8-3.8 9380/3.0=43, 7470/4.0=32...(7) QD1 LEU 70 - HB2 LYS 39 poor 20 80 25 - 4.2-6.4 QD2 LEU 70 - HB2 LYS 39 far 13 84 15 - 4.6-7.2 QD1 LEU 70 - HB2 LYS 65 far 0 85 0 - 6.4-8.6 QD2 LEU 38 - HB2 LYS 65 far 0 83 0 - 6.5-8.7 QD1 LEU 70 - HB3 LYS 65 far 0 87 0 - 6.7-8.1 QG2 VAL 104 - HB2 LYS 65 far 0 69 0 - 7.3-10.2 QD2 LEU 38 - HB3 LYS 65 far 0 85 0 - 7.4-8.5 QG2 VAL 104 - HB3 LYS 65 far 0 71 0 - 8.0-9.8 QD2 LEU 70 - HB2 LYS 65 far 0 89 0 - 8.6-10.6 QD2 LEU 70 - HB3 LYS 65 far 0 91 0 - 8.6-10.5 QD1 LEU 90 - HB3 LYS 65 far 0 91 0 - 9.5-14.9 QD1 LEU 90 - HB2 LYS 65 far 0 89 0 - 9.7-15.1 Violated in 9 structures by 0.04 A. Peak 10458 from cnoeabs.peaks (0.79, 1.93, 32.18 ppm; 3.84 A): 2 out of 17 assignments used, quality = 0.97: QD2 LEU 64 + HB3 LYS 65 OK 83 94 100 89 2.2-5.0 10805/2.9=65, 397/4.0=30...(12) QD2 LEU 64 + HB2 LYS 65 OK 81 92 100 89 3.1-5.1 10805/2.9=65, 397/4.0=30...(11) QD1 LEU 81 - HB2 LYS 115 far 5 99 5 - 5.3-6.6 QD1 LEU 80 - HB2 LYS 65 far 4 80 5 - 5.0-9.2 QD2 LEU 80 - HB2 LYS 65 far 0 83 0 - 5.6-9.1 QD1 LEU 80 - HB3 LYS 65 far 0 83 0 - 5.7-8.8 QD1 LEU 81 - HB3 LYS 115 far 0 94 0 - 5.7-6.9 QD2 LEU 80 - HB3 LYS 65 far 0 85 0 - 6.4-8.8 QD1 LEU 82 - HB2 LYS 65 far 0 86 0 - 6.9-10.8 QD1 LEU 82 - HB3 LYS 65 far 0 89 0 - 7.5-10.7 QD1 LEU 81 - HB2 LYS 123 far 0 86 0 - 8.3-10.2 QD1 ILE 7 - HB3 LYS 123 far 0 29 0 - 8.5-10.4 QD1 LEU 81 - HB3 LYS 123 far 0 53 0 - 8.5-10.3 QD1 ILE 7 - HB2 LYS 115 far 0 65 0 - 8.6-10.8 QD1 ILE 7 - HB2 LYS 123 far 0 51 0 - 9.1-11.2 QD1 ILE 7 - HB3 LYS 115 far 0 58 0 - 9.2-11.2 QD2 LEU 80 - HB3 LYS 123 far 0 47 0 - 9.5-11.9 Violated in 14 structures by 0.32 A. Peak 10459 from cnoeabs.peaks (0.70, 1.93, 32.18 ppm; 4.51 A): 0 out of 21 assignments used, quality = 0.00: QG2 ILE 97 - HB3 LYS 65 poor 20 49 40 - 5.2-7.8 QD2 LEU 63 - HB2 LYS 39 poor 16 82 40 49 5.6-7.0 10958/4.0=31, 10988/10457=26 QG2 ILE 97 - HB2 LYS 65 far 2 48 5 - 5.6-8.3 QD2 LEU 63 - HB2 LYS 65 far 0 86 0 - 6.2-8.3 QD1 LEU 6 - HB3 LYS 65 far 0 74 0 - 6.5-8.1 QD2 LEU 81 - HB3 LYS 115 far 0 94 0 - 6.5-7.8 QD2 LEU 81 - HB2 LYS 115 far 0 99 0 - 6.5-7.5 QD2 LEU 63 - HB3 LYS 65 far 0 89 0 - 6.7-8.2 QD1 LEU 6 - HB2 LYS 65 far 0 72 0 - 6.9-7.8 QG2 ILE 18 - HB2 LYS 115 far 0 73 0 - 7.4-9.6 QG1 VAL 117 - HB2 LYS 115 far 0 61 0 - 7.4-8.0 QG2 ILE 18 - HB3 LYS 115 far 0 66 0 - 7.4-9.7 QG1 VAL 117 - HB3 LYS 115 far 0 55 0 - 7.7-8.1 QG1 VAL 117 - HB2 LYS 123 far 0 48 0 - 7.7-9.7 QG1 VAL 117 - HB3 LYS 123 far 0 27 0 - 8.0-9.0 QD1 LEU 55 - HB3 LYS 123 far 0 29 0 - 8.7-12.1 QG2 ILE 56 - HB2 LYS 65 far 0 85 0 - 8.7-10.5 QG2 ILE 56 - HB3 LYS 65 far 0 87 0 - 8.8-10.7 QG2 ILE 56 - HB2 LYS 39 far 0 80 0 - 9.0-11.7 QD1 LEU 55 - HB2 LYS 123 far 0 51 0 - 9.0-12.4 QD2 LEU 81 - HB2 LYS 123 far 0 86 0 - 9.8-12.0 Violated in 11 structures by 0.06 A. Peak 10460 from cnoeabs.peaks (4.01, 1.30, 24.91 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.91: HA GLU 112 + HG3 LYS 115 OK 91 92 100 99 1.7-5.7 8244/1754=60...(11) HA GLU 111 - HG3 LYS 115 poor 20 61 65 49 4.6-8.9 2196/1754=20...(9) HA PHE 120 - HG3 LYS 115 far 0 77 0 - 9.2-13.1 Violated in 3 structures by 0.05 A. Peak 10461 from cnoeabs.peaks (4.01, 1.66, 29.55 ppm; 3.43 A): 2 out of 14 assignments used, quality = 0.82: HA GLU 112 + HD3 LYS 115 OK 62 77 100 81 2.4-4.5 11463=27, 10460/2.9=23...(10) HA GLU 112 + HD2 LYS 115 OK 52 75 85 81 1.8-5.1 11463=26, 10460/2.9=23...(11) HA GLU 66 - HD3 LYS 65 far 10 66 15 - 3.1-7.9 HA GLU 66 - HD2 LYS 65 far 7 74 10 - 2.7-7.6 HA GLU 119 - HD3 LYS 115 far 0 77 0 - 6.2-10.8 HA GLU 119 - HD2 LYS 115 far 0 75 0 - 6.8-10.8 HA LYS 17 - HD2 LYS 115 far 0 56 0 - 7.7-14.9 HA LYS 17 - HD3 LYS 115 far 0 57 0 - 8.3-14.5 HB3 SER 99 - HD3 LYS 65 far 0 59 0 - 8.3-14.3 HB3 SER 99 - HD2 LYS 65 far 0 67 0 - 8.5-14.0 HA PHE 120 - HD3 LYS 115 far 0 92 0 - 9.0-14.1 HB2 SER 99 - HD3 LYS 65 far 0 59 0 - 9.3-15.0 HB2 SER 99 - HD2 LYS 65 far 0 67 0 - 9.6-14.9 HA PHE 120 - HD2 LYS 115 far 0 90 0 - 9.9-13.6 Violated in 11 structures by 0.04 A. Peak 10462 from cnoeabs.peaks (3.99, 1.56, 24.91 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.99: HA GLU 112 + HG2 LYS 115 OK 98 100 100 99 1.8-4.5 8244/1753=62...(11) HA GLU 111 + HG2 LYS 115 OK 26 98 50 52 4.4-8.1 2196/1753=20...(9) HB2 SER 99 - HG3 LYS 96 poor 17 86 20 - 4.5-8.3 HB3 SER 99 - HG3 LYS 96 poor 17 86 40 49 4.7-9.0 8228/4.0=38...(4) HA LEU 14 - HG2 LYS 115 far 0 94 0 - 8.7-12.2 HA LYS 17 - HG2 LYS 115 far 0 100 0 - 9.3-13.9 Violated in 3 structures by 0.02 A. Peak 10463 from cnoeabs.peaks (7.10, 1.56, 24.91 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.35: HZ PHE 93 + HG2 LYS 65 OK 35 38 95 97 2.2-7.0 ~4676=66, 11054/3.9=43...(8) HZ PHE 93 - HG3 LYS 96 far 0 47 0 - 6.7-8.7 Violated in 4 structures by 0.22 A. Peak 10464 from cnoeabs.peaks (8.83, 0.04, 18.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: H PHE 120 + QG2 ILE 116 OK 97 97 100 100 4.1-4.8 10554=96, 2221/10503=77...(13) Violated in 0 structures by 0.00 A. Peak 10465 from cnoeabs.peaks (7.12, 0.04, 18.11 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.65: QE PHE 120 + QG2 ILE 116 OK 65 65 100 100 2.2-3.1 2.2/4717=81, 2.2/4710=65...(18) QE PHE 93 - QG2 ILE 116 far 0 70 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 10466 from cnoeabs.peaks (7.01, 0.04, 18.11 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 120 + QG2 ILE 116 OK 99 99 100 100 1.9-2.5 4717=98, 2.2/4734=89...(15) Violated in 0 structures by 0.00 A. Peak 10467 from cnoeabs.peaks (6.79, 0.04, 18.11 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 120 + QG2 ILE 116 OK 100 100 100 100 3.6-4.4 2.2/4734=98, 4706/2.1=93...(15) Violated in 0 structures by 0.00 A. Peak 10469 from cnoeabs.peaks (3.79, 3.46, 64.12 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 113 + HA ILE 116 OK 94 94 100 100 5.2-5.7 8252/3.0=88, 8251/3.0=79...(14) HA LYS 115 + HA ILE 116 OK 94 94 100 100 4.8-4.9 8266/2216=78, ~1958=74...(15) Violated in 0 structures by 0.00 A. Peak 10471 from cnoeabs.peaks (3.80, 0.04, 18.11 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 113 + QG2 ILE 116 OK 100 100 100 100 4.0-4.7 8252/2.1=100...(23) HA LYS 115 + QG2 ILE 116 OK 100 100 100 100 6.1-6.1 3.6/1762=95...(13) Violated in 0 structures by 0.00 A. Peak 10473 from cnoeabs.peaks (5.26, 0.04, 18.11 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.96: HA LEU 81 + QG2 ILE 116 OK 84 84 100 100 3.3-4.0 3.9/9958=94, 3.9/9959=91...(14) HA GLN 83 + QG2 ILE 116 OK 75 99 100 76 6.4-7.3 10305/10492=39...(6) Violated in 0 structures by 0.00 A. Peak 10474 from cnoeabs.peaks (3.25, 0.04, 18.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: HA VAL 117 + QG2 ILE 116 OK 92 92 100 100 3.3-4.4 3.0/738=99, 10503=88...(20) Violated in 0 structures by 0.00 A. Peak 10475 from cnoeabs.peaks (3.79, 0.68, 13.41 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.99: HA ALA 113 + QD1 ILE 116 OK 98 98 100 100 1.9-4.4 10416=74, 10307/11417=61...(22) HA LYS 115 + QD1 ILE 116 OK 42 98 45 95 4.7-6.4 3.6/1765=60...(16) Violated in 3 structures by 0.00 A. Peak 10476 from cnoeabs.peaks (3.99, 0.68, 13.41 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.99: HA GLU 112 + QD1 ILE 116 OK 98 98 100 100 3.3-5.1 8249/1765=81...(18) HA GLU 111 + QD1 ILE 116 OK 52 100 70 74 6.7-8.6 10308/11417=36...(10) HA LEU 14 - QD1 ILE 116 far 0 98 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 10477 from cnoeabs.peaks (4.62, 0.68, 13.41 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 107 + QD1 ILE 116 OK 100 100 100 100 3.5-5.1 3.2/11417=97, ~11456=55...(11) Violated in 0 structures by 0.00 A. Peak 10481 from cnoeabs.peaks (2.46, 3.46, 64.12 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HG3 GLU 119 + HA ILE 116 OK 100 100 100 100 2.4-4.9 10548=98, 1784/2216=95...(9) Violated in 0 structures by 0.00 A. Peak 10482 from cnoeabs.peaks (0.77, 3.46, 64.12 ppm; 5.58 A): 2 out of 7 assignments used, quality = 0.97: QG1 VAL 107 + HA ILE 116 OK 91 94 100 96 5.7-7.0 ~11185=56, 11187/3.2=54...(7) QD1 LEU 81 + HA ILE 116 OK 69 70 100 100 3.7-3.9 10478/3.0=74, ~11636=73...(15) QD1 ILE 7 - HA ILE 116 lone 2 99 25 7 6.7-9.1 10491/3.2=6 QD1 LEU 82 - HA ILE 116 far 0 98 0 - 7.9-11.1 QD1 LEU 80 - HA ILE 116 far 0 100 0 - 8.5-11.2 QD2 LEU 80 - HA ILE 116 far 0 99 0 - 8.8-11.3 QD2 LEU 14 - HA ILE 116 far 0 94 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10484 from cnoeabs.peaks (0.79, 1.63, 36.32 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 81 + HB ILE 116 OK 99 99 100 100 1.5-1.7 11637=99, 9958/2.1=97...(19) QD1 ILE 7 - HB ILE 116 poor 16 65 25 - 5.2-7.5 QD1 LEU 82 - HB ILE 116 far 5 97 5 - 6.0-9.0 QD1 LEU 80 - HB ILE 116 far 0 92 0 - 6.8-9.7 QD2 LEU 80 - HB ILE 116 far 0 94 0 - 7.2-9.5 Violated in 0 structures by 0.00 A. Peak 10485 from cnoeabs.peaks (0.86, 1.63, 36.32 ppm; 5.90 A): 4 out of 8 assignments used, quality = 1.00: QG2 VAL 117 + HB ILE 116 OK 98 98 100 100 3.0-3.3 6841/737=97...(15) QG2 VAL 107 + HB ILE 116 OK 94 94 100 100 3.8-6.0 11417/3.2=90...(17) QD1 LEU 14 + HB ILE 116 OK 56 100 100 56 5.8-6.9 10414/8252=28...(4) QG2 ILE 5 + HB ILE 116 OK 42 65 95 67 6.0-7.4 4707/4706=56...(3) QG2 THR 9 - HB ILE 116 far 5 99 5 - 7.1-9.1 QG2 ILE 57 - HB ILE 116 far 0 61 0 - 8.9-11.3 HG13 ILE 5 - HB ILE 116 far 0 84 0 - 9.2-12.0 QG2 VAL 22 - HB ILE 116 far 0 99 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 10486 from cnoeabs.peaks (1.42, 1.63, 36.32 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 113 + HB ILE 116 OK 90 90 100 100 4.0-4.9 2.1/8252=100...(24) HB3 GLN 83 + HB ILE 116 OK 69 100 100 69 5.9-7.1 6653/8252=28, ~10473=26...(7) HG3 LYS 106 - HB ILE 116 far 0 61 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 10487 from cnoeabs.peaks (1.91, 1.63, 36.32 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.98: HB2 LEU 81 + HB ILE 116 OK 94 94 100 100 3.0-5.4 3.1/11637=100...(18) HB2 LYS 115 + HB ILE 116 OK 65 65 100 100 5.0-6.7 4.4/1761=95, ~11193=57...(15) HB ILE 7 - HB ILE 116 far 0 65 0 - 8.2-9.3 HG2 MET 121 - HB ILE 116 far 0 97 0 - 8.6-11.9 HB3 LYS 17 - HB ILE 116 far 0 87 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 10488 from cnoeabs.peaks (1.34, 0.04, 18.11 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 81 + QG2 ILE 116 OK 100 100 100 100 3.6-4.8 2.1/9958=95, 2.1/9959=91...(19) HB3 LEU 81 + QG2 ILE 116 OK 84 84 100 100 3.7-5.6 3.1/9958=88, 3.1/9959=78...(17) Violated in 0 structures by 0.00 A. Peak 10489 from cnoeabs.peaks (1.81, 0.04, 18.11 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: HG2 ARG 105 + QG2 ILE 116 OK 99 99 100 100 1.7-2.3 10273=63, 1.8/10274=57...(16) HB3 ARG 105 + QG2 ILE 116 OK 97 98 100 99 1.8-3.4 3.0/10273=48...(15) HG12 ILE 5 - QG2 ILE 116 far 0 100 0 - 7.1-10.0 HB2 ARG 118 - QG2 ILE 116 far 0 90 0 - 7.5-8.0 HB2 LEU 14 - QG2 ILE 116 far 0 84 0 - 8.7-10.7 HB ILE 97 - QG2 ILE 116 far 0 100 0 - 8.8-10.3 HB ILE 18 - QG2 ILE 116 far 0 90 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (2.09, 0.04, 18.11 ppm; 4.78 A): 2 out of 10 assignments used, quality = 0.83: HG2 GLU 119 + QG2 ILE 116 OK 69 70 100 99 4.6-5.8 11200/3.0=36...(17) HB3 GLU 112 + QG2 ILE 116 OK 46 92 55 92 5.1-7.2 10498/3.0=29...(15) HB3 PHE 79 - QG2 ILE 116 poor 15 65 95 24 5.1-6.4 4702/4710=15...(4) HB2 GLU 112 - QG2 ILE 116 far 0 94 0 - 6.3-7.8 HB2 GLU 103 - QG2 ILE 116 far 0 98 0 - 6.6-8.3 HB3 MET 121 - QG2 ILE 116 far 0 73 0 - 7.6-9.6 HG3 GLU 21 - QG2 ILE 116 far 0 90 0 - 8.4-10.4 HG2 GLU 21 - QG2 ILE 116 far 0 84 0 - 9.3-11.6 HB2 GLU 111 - QG2 ILE 116 far 0 98 0 - 9.5-10.5 HB2 GLU 87 - QG2 ILE 116 far 0 100 0 - 9.9-13.9 Violated in 14 structures by 0.25 A. Peak 10491 from cnoeabs.peaks (0.78, 0.04, 18.11 ppm; 3.55 A): 2 out of 8 assignments used, quality = 0.97: QD1 LEU 81 + QG2 ILE 116 OK 94 94 100 100 1.8-2.5 9958=88, 11637/2.1=79...(22) QG1 VAL 107 + QG2 ILE 116 OK 59 70 95 89 3.4-5.1 ~11417=29, ~11185=26...(19) QD1 ILE 7 - QG2 ILE 116 poor 11 84 25 51 4.5-6.7 9084/10465=19...(6) QD1 LEU 82 - QG2 ILE 116 far 5 100 5 - 4.5-7.1 QD1 LEU 80 - QG2 ILE 116 far 0 99 0 - 5.1-7.6 QD2 LEU 80 - QG2 ILE 116 far 0 99 0 - 5.2-7.5 QD2 LEU 14 - QG2 ILE 116 far 0 70 0 - 8.1-8.7 QD2 LEU 64 - QG2 ILE 116 far 0 100 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 10492 from cnoeabs.peaks (0.87, 0.04, 18.11 ppm; 4.86 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 107 + QG2 ILE 116 OK 100 100 100 100 3.9-5.7 11417/3.0=89...(17) QG2 VAL 117 + QG2 ILE 116 OK 100 100 100 100 3.6-4.4 10521/2.1=93...(15) QD2 LEU 90 - QG2 ILE 116 far 4 81 5 - 6.3-7.5 QG2 VAL 104 - QG2 ILE 116 lone 3 73 30 14 4.6-7.3 10246/4734=8, 11508/10272=6 QD1 LEU 14 - QG2 ILE 116 far 0 94 0 - 6.4-7.5 QG2 THR 9 - QG2 ILE 116 far 0 99 0 - 6.9-9.1 QG2 VAL 22 - QG2 ILE 116 far 0 81 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 10493 from cnoeabs.peaks (0.79, 1.58, 28.89 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 81 + HG12 ILE 116 OK 99 99 100 100 2.0-3.8 11637/6812=96...(14) QD1 LEU 82 - HG12 ILE 116 far 0 97 0 - 6.9-10.3 QD1 ILE 7 - HG12 ILE 116 far 0 65 0 - 7.2-9.5 QD1 LEU 80 - HG12 ILE 116 far 0 92 0 - 7.3-11.4 QD2 LEU 80 - HG12 ILE 116 far 0 94 0 - 7.9-11.4 Violated in 0 structures by 0.00 A. Peak 10497 from cnoeabs.peaks (2.35, 0.68, 13.41 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.85: HG3 GLU 112 + QD1 ILE 116 OK 64 70 100 92 1.9-5.6 1.8/11339=38, 11339=31...(13) HG2 GLU 112 + QD1 ILE 116 OK 57 65 95 92 1.9-5.9 1.8/11339=40, 11339=29...(13) HG2 GLN 83 - QD1 ILE 116 poor 7 61 35 31 5.2-9.1 11021/11417=18, ~10486=9...(4) HB3 PHE 120 - QD1 ILE 116 far 0 87 0 - 7.4-9.0 Violated in 3 structures by 0.04 A. Peak 10498 from cnoeabs.peaks (2.10, 0.68, 13.41 ppm; 3.81 A): 3 out of 10 assignments used, quality = 0.94: HB3 GLU 112 + QD1 ILE 116 OK 65 81 95 85 2.5-5.4 3.0/11339=25...(14) HB2 GLU 112 + QD1 ILE 116 OK 59 84 85 83 3.4-5.5 3.0/11339=25...(14) HB VAL 107 + QD1 ILE 116 OK 59 61 100 96 1.8-4.5 2.1/11417=76, ~11185=23...(13) HB3 GLU 119 - QD1 ILE 116 far 0 70 0 - 5.3-7.8 HB2 GLU 111 - QD1 ILE 116 far 0 100 0 - 6.9-9.0 HB2 GLU 103 - QD1 ILE 116 far 0 92 0 - 8.4-10.3 HG3 GLU 21 - QD1 ILE 116 far 0 97 0 - 8.5-10.4 HB2 GLU 21 - QD1 ILE 116 far 0 61 0 - 8.9-10.6 HG2 GLU 21 - QD1 ILE 116 far 0 94 0 - 9.2-11.7 HB2 GLU 87 - QD1 ILE 116 far 0 100 0 - 9.2-13.8 Violated in 1 structures by 0.01 A. Peak 10499 from cnoeabs.peaks (1.92, 0.68, 13.41 ppm; 4.28 A): 3 out of 7 assignments used, quality = 0.94: HB2 LYS 115 + QD1 ILE 116 OK 80 94 90 94 2.5-6.2 4.4/1765=51, ~11193=31...(17) HB3 LYS 115 + QD1 ILE 116 OK 47 77 65 94 3.9-6.3 4.4/1765=51, ~11193=31...(15) HB2 LEU 81 + QD1 ILE 116 OK 44 100 45 97 4.2-7.6 ~10493=36, ~9958=33...(13) HB2 LYS 123 - QD1 ILE 116 far 0 77 0 - 8.6-11.2 HG2 MET 121 - QD1 ILE 116 far 0 100 0 - 9.3-12.2 HB3 LYS 123 - QD1 ILE 116 far 0 99 0 - 9.5-11.7 HB3 LYS 17 - QD1 ILE 116 far 0 100 0 - 9.7-11.6 Violated in 9 structures by 0.05 A. Peak 10500 from cnoeabs.peaks (1.81, 0.68, 13.41 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.99: HG2 ARG 105 + QD1 ILE 116 OK 95 99 100 96 2.1-3.8 10273/3.0=39...(13) HB3 ARG 105 + QD1 ILE 116 OK 73 98 80 93 3.2-5.6 3.0/11512=31...(11) HB2 ARG 118 - QD1 ILE 116 far 0 90 0 - 7.5-9.4 HB2 LEU 14 - QD1 ILE 116 far 0 84 0 - 7.9-11.5 HB ILE 18 - QD1 ILE 116 far 0 90 0 - 9.2-11.2 HG12 ILE 5 - QD1 ILE 116 far 0 100 0 - 9.9-12.6 Violated in 1 structures by 0.01 A. Peak 10501 from cnoeabs.peaks (3.32, 0.68, 13.41 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.73: HD3 ARG 105 + QD1 ILE 116 OK 73 73 100 100 2.1-5.7 3.0/11512=81...(12) Violated in 0 structures by 0.00 A. Peak 10502 from cnoeabs.peaks (0.62, 3.26, 67.50 ppm; 4.89 A): 3 out of 4 assignments used, quality = 1.00: QD1 ILE 5 + HA VAL 117 OK 99 100 100 100 4.2-6.2 4709/4720=77...(16) QD1 ILE 18 + HA VAL 117 OK 90 96 95 99 4.9-6.5 10524/3.2=86...(15) QG1 VAL 22 + HA VAL 117 OK 45 70 95 69 5.0-6.9 10590/2227=15, ~11119=15...(11) QG1 VAL 78 - HA VAL 117 far 0 98 0 - 7.7-8.6 Violated in 3 structures by 0.00 A. Peak 10503 from cnoeabs.peaks (0.04, 3.26, 67.50 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 116 + HA VAL 117 OK 99 99 100 100 3.3-4.4 738/3.0=83, ~737=60...(21) Violated in 0 structures by 0.00 A. Peak 10504 from cnoeabs.peaks (1.64, 3.26, 67.50 ppm; 6.20 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 116 + HA VAL 117 OK 99 99 100 100 3.9-4.5 737/3.0=99, 2.1/10503=98...(16) HB ILE 5 + HA VAL 117 OK 82 90 100 91 5.6-6.9 10511/3.2=40, ~10943=40...(11) HG LEU 114 - HA VAL 117 far 0 73 0 - 8.1-9.3 HD3 LYS 77 - HA VAL 117 far 0 87 0 - 9.7-13.2 HB2 LEU 82 - HA VAL 117 far 0 81 0 - 9.8-11.5 HD2 LYS 77 - HA VAL 117 far 0 90 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 10506 from cnoeabs.peaks (0.61, 2.05, 30.75 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: QD1 ILE 18 + HB VAL 117 OK 100 100 100 100 4.0-5.4 10524/2.1=98, ~10520=59...(18) QD1 ILE 5 + HB VAL 117 OK 28 94 35 85 4.3-7.3 3.0/10943=33...(10) QD1 ILE 5 - HB2 GLN 28 far 0 22 0 - 7.7-10.7 QG1 VAL 78 - HB VAL 117 far 0 100 0 - 9.1-10.2 QG1 VAL 78 - HB2 GLN 28 far 0 26 0 - 9.7-11.9 Violated in 4 structures by 0.02 A. Peak 10507 from cnoeabs.peaks (1.40, 2.05, 30.75 ppm; 5.38 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 114 + HB VAL 117 OK 100 100 100 100 5.2-6.7 3.0/8258=92, ~10515=65...(8) QB ALA 113 + HB VAL 117 OK 65 77 95 89 6.3-6.9 10427/8258=45, ~10516=35...(7) HG LEU 14 - HB VAL 117 far 0 70 0 - 8.5-9.8 Violated in 7 structures by 0.11 A. Peak 10509 from cnoeabs.peaks (2.62, 0.72, 21.31 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.91: HG3 MET 121 + QG1 VAL 117 OK 91 94 100 96 2.9-5.6 10591=69, 1.8/10593=60...(7) HE2 LYS 53 - QG1 VAL 117 far 0 87 0 - 9.6-14.2 Violated in 3 structures by 0.07 A. Peak 10510 from cnoeabs.peaks (1.82, 0.72, 21.31 ppm; 3.31 A): 3 out of 10 assignments used, quality = 0.63: QE MET 121 + QG1 VAL 117 OK 36 87 50 82 1.9-6.2 10601=45, 3.4/10509=28...(10) HB ILE 18 + QG1 VAL 117 OK 25 100 30 85 3.9-6.1 3.0/10517=24, ~10520=23...(14) HG12 ILE 5 + QG1 VAL 117 OK 24 90 45 59 3.4-5.9 2.9/10938=22, ~10943=10...(12) HB2 ARG 118 - QG1 VAL 117 far 0 61 0 - 5.9-6.3 HB2 LEU 14 - QG1 VAL 117 far 0 99 0 - 6.4-9.0 HG2 ARG 105 - QG1 VAL 117 far 0 84 0 - 6.8-8.0 HB3 ARG 105 - QG1 VAL 117 far 0 100 0 - 6.9-7.6 HB ILE 57 - QG1 VAL 117 far 0 99 0 - 7.0-9.2 HB3 LYS 19 - QG1 VAL 117 far 0 73 0 - 7.5-9.6 HB ILE 3 - QG1 VAL 117 far 0 87 0 - 8.4-10.4 Violated in 14 structures by 0.15 A. Peak 10511 from cnoeabs.peaks (1.64, 0.72, 21.31 ppm; 4.77 A): 2 out of 9 assignments used, quality = 1.00: HB ILE 116 + QG1 VAL 117 OK 98 99 100 99 4.8-5.2 737/6846=76...(11) HB ILE 5 + QG1 VAL 117 OK 78 90 100 87 3.3-4.5 10938=40, ~10943=30...(14) HG LEU 114 - QG1 VAL 117 poor 15 73 20 - 5.9-7.6 HB2 LEU 82 - QG1 VAL 117 far 0 81 0 - 8.5-9.4 HG LEU 64 - QG1 VAL 117 far 0 97 0 - 8.6-10.6 HD2 LYS 77 - QG1 VAL 117 far 0 90 0 - 8.7-12.0 HD3 LYS 77 - QG1 VAL 117 far 0 87 0 - 8.9-12.0 HB3 LEU 64 - QG1 VAL 117 far 0 98 0 - 9.8-11.9 HB2 ARG 30 - QG1 VAL 117 far 0 61 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 10514 from cnoeabs.peaks (3.38, 0.86, 23.99 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.95: HA ILE 18 + QG2 VAL 117 OK 95 97 100 98 3.7-5.0 2906/10524=74...(12) Violated in 3 structures by 0.02 A. Peak 10515 from cnoeabs.peaks (3.71, 0.86, 23.99 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 114 + QG2 VAL 117 OK 99 100 100 99 2.1-2.3 8258/2.1=66...(13) Violated in 0 structures by 0.00 A. Peak 10516 from cnoeabs.peaks (3.81, 0.86, 23.99 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.92: HA ALA 113 + QG2 VAL 117 OK 75 77 100 98 3.9-4.4 2.1/10522=88...(8) HA LYS 115 + QG2 VAL 117 OK 66 77 100 85 4.0-4.3 8261/745=53...(8) Violated in 0 structures by 0.00 A. Peak 10517 from cnoeabs.peaks (3.37, 0.72, 21.31 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.88: HA ILE 18 + QG1 VAL 117 OK 88 98 100 89 4.4-5.8 10514/2.1=60...(10) Violated in 4 structures by 0.07 A. Peak 10518 from cnoeabs.peaks (3.70, 0.72, 21.31 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.88: HA LEU 114 + QG1 VAL 117 OK 88 90 100 99 4.5-4.8 10515/2.1=76...(9) Violated in 20 structures by 0.17 A. Peak 10519 from cnoeabs.peaks (3.89, 0.72, 21.31 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: HA ARG 118 + QG1 VAL 117 OK 100 100 100 100 4.2-4.5 2.9/746=85, 10541=82...(10) Violated in 0 structures by 0.00 A. Peak 10520 from cnoeabs.peaks (1.78, 0.86, 23.99 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.80: HG12 ILE 18 + QG2 VAL 117 OK 80 81 100 99 2.7-4.6 2.1/10524=86...(18) HB2 LEU 55 - QG2 VAL 117 far 0 65 0 - 7.7-9.3 HB2 LYS 19 - QG2 VAL 117 far 0 94 0 - 8.6-10.1 Violated in 6 structures by 0.10 A. Peak 10521 from cnoeabs.peaks (1.62, 0.86, 23.99 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.82: HB ILE 116 + QG2 VAL 117 OK 82 87 100 94 3.0-3.3 737/6841=56...(14) HB2 LEU 82 - QG2 VAL 117 far 0 100 0 - 8.0-8.8 HG2 LYS 16 - QG2 VAL 117 far 0 94 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 10522 from cnoeabs.peaks (1.42, 0.86, 23.99 ppm; 3.93 A): 1 out of 4 assignments used, quality = 0.81: QB ALA 113 + QG2 VAL 117 OK 81 90 100 90 3.6-4.1 10421/10524=39...(10) HG3 LYS 17 - QG2 VAL 117 far 0 96 0 - 5.7-9.1 HB3 GLN 83 - QG2 VAL 117 far 0 100 0 - 5.8-6.8 HG3 LYS 106 - QG2 VAL 117 far 0 61 0 - 9.9-11.4 Violated in 5 structures by 0.02 A. Peak 10523 from cnoeabs.peaks (1.93, 0.86, 23.99 ppm; 4.51 A): 3 out of 9 assignments used, quality = 0.99: HB2 LEU 81 + QG2 VAL 117 OK 95 96 100 99 3.0-3.9 3.0/11639=75...(16) HB2 LYS 115 + QG2 VAL 117 OK 56 100 100 56 5.2-5.9 3.0/10516=29...(5) HB3 LYS 115 + QG2 VAL 117 OK 42 97 95 46 5.4-6.0 3.0/10516=29...(3) HG2 MET 121 - QG2 VAL 117 far 9 92 10 - 5.7-7.9 HB3 LYS 17 - QG2 VAL 117 far 5 99 5 - 5.6-7.9 HB ILE 15 - QG2 VAL 117 far 0 87 0 - 8.4-10.1 HB2 LYS 123 - QG2 VAL 117 far 0 97 0 - 9.1-11.1 HB3 LYS 123 - QG2 VAL 117 far 0 84 0 - 9.6-10.4 HB VAL 104 - QG2 VAL 117 far 0 61 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 10524 from cnoeabs.peaks (0.61, 0.86, 23.99 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 18 + QG2 VAL 117 OK 96 100 100 96 1.8-3.1 2.1/10520=46...(21) QD1 ILE 5 - QG2 VAL 117 far 0 94 0 - 4.8-7.1 QG1 VAL 78 - QG2 VAL 117 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 10525 from cnoeabs.peaks (0.03, 0.86, 23.99 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.70: QG2 ILE 116 + QG2 VAL 117 OK 70 70 100 100 3.6-4.4 2.1/10521=100...(14) Violated in 0 structures by 0.00 A. Peak 10526 from cnoeabs.peaks (0.06, 0.72, 21.31 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.65: QG2 ILE 116 + QG1 VAL 117 OK 65 65 100 100 4.4-5.3 ~10521=90, 4.3/6846=89...(14) Violated in 0 structures by 0.00 A. Peak 10528 from cnoeabs.peaks (6.79, 3.26, 67.50 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 120 + HA VAL 117 OK 100 100 100 100 2.2-3.1 4720=100, 2.4/8276=87...(15) QD TYR 27 - HA VAL 117 far 0 100 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 10529 from cnoeabs.peaks (7.14, 3.26, 67.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 120 + HA VAL 117 OK 97 97 100 100 2.5-3.9 2.2/10528=100...(13) Violated in 0 structures by 0.00 A. Peak 10530 from cnoeabs.peaks (6.79, 0.86, 23.99 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 120 + QG2 VAL 117 OK 100 100 100 100 3.9-4.8 4720/3.2=92, 4708/2.1=85...(18) QD TYR 27 - QG2 VAL 117 far 0 100 0 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (6.78, 0.72, 21.31 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 120 + QG1 VAL 117 OK 99 99 100 100 2.2-3.1 4720/3.2=83, 4708=79...(19) QD TYR 27 + QG1 VAL 117 OK 55 100 80 69 5.0-6.6 2.2/9228=31...(8) Violated in 0 structures by 0.00 A. Peak 10534 from cnoeabs.peaks (7.66, 3.15, 43.76 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.98: HE ARG 118 + HD2 ARG 118 OK 98 98 100 100 2.3-2.9 2.9=100 H GLU 21 - HD2 ARG 118 far 15 99 15 - 5.3-11.4 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (6.82, 3.15, 43.76 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.48: HE22 GLN 122 + HD2 ARG 118 OK 48 87 70 79 3.0-7.0 11170/2.9=58, 10537/1.8=50 Violated in 14 structures by 0.91 A. Peak 10536 from cnoeabs.peaks (7.65, 2.97, 43.76 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.77: HE ARG 118 + HD3 ARG 118 OK 77 77 100 100 2.3-2.9 2.9=100 H GLU 21 - HD3 ARG 118 far 12 81 15 - 5.7-12.2 Violated in 0 structures by 0.00 A. Peak 10537 from cnoeabs.peaks (6.83, 2.97, 43.76 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.73: HE22 GLN 122 + HD3 ARG 118 OK 73 100 90 81 3.6-6.6 10535/1.8=57, 11170/2.9=55 Violated in 10 structures by 0.36 A. Peak 10539 from cnoeabs.peaks (3.79, 3.15, 43.76 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.93: HA LYS 115 + HD2 ARG 118 OK 93 94 100 99 2.9-5.6 8264/3.7=68, 8262/3.7=61...(14) HA ALA 113 - HD2 ARG 118 far 0 94 0 - 9.2-11.2 Violated in 5 structures by 0.14 A. Peak 10540 from cnoeabs.peaks (3.80, 2.97, 43.76 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 115 + HD3 ARG 118 OK 98 99 100 99 2.0-5.5 8264/3.7=69, 8262/3.7=62...(10) HA ALA 113 - HD3 ARG 118 far 0 99 0 - 8.5-11.4 Violated in 9 structures by 0.24 A. Peak 10541 from cnoeabs.peaks (0.72, 3.89, 60.17 ppm; 4.84 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 117 + HA ARG 118 OK 100 100 100 100 4.2-4.5 10519=99, 746/2.9=88...(10) QG2 ILE 18 - HA ARG 118 poor 8 98 30 26 5.0-7.3 6845/10542=19...(3) QD2 LEU 55 - HA ARG 118 far 4 87 5 - 6.2-8.1 HG13 ILE 18 - HA ARG 118 far 0 99 0 - 6.9-8.3 QD2 LEU 81 - HA ARG 118 far 0 65 0 - 6.9-7.3 QD1 ILE 57 - HA ARG 118 far 0 70 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10542 from cnoeabs.peaks (0.86, 3.89, 60.17 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 117 + HA ARG 118 OK 100 100 100 100 4.9-5.1 745/2.9=84, 2.1/10519=70...(9) QG2 VAL 22 - HA ARG 118 far 5 94 5 - 5.7-8.3 HG13 ILE 5 - HA ARG 118 far 0 70 0 - 6.2-8.1 QD1 LEU 14 - HA ARG 118 far 0 99 0 - 8.9-10.0 Violated in 20 structures by 0.53 A. Peak 10548 from cnoeabs.peaks (3.46, 2.46, 36.01 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 116 + HG3 GLU 119 OK 99 99 100 100 2.4-4.9 10481=98, 2216/1784=94...(9) Violated in 0 structures by 0.00 A. Peak 10549 from cnoeabs.peaks (3.45, 2.08, 36.01 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.79: HA ILE 116 + HG2 GLU 119 OK 79 81 100 99 3.2-4.8 2216/1783=68...(9) Violated in 0 structures by 0.00 A. Peak 10555 from cnoeabs.peaks (2.08, 4.02, 56.87 ppm; 5.38 A): 3 out of 4 assignments used, quality = 1.00: HG2 GLU 119 + HA PHE 120 OK 97 99 100 98 6.3-6.5 7916/3.0=61, ~760=47...(10) HB3 MET 121 + HA PHE 120 OK 94 100 100 94 5.6-6.6 1796/3.6=84, 759/3.0=30...(6) HB3 PHE 79 + HA PHE 120 OK 93 99 100 94 4.1-4.9 4702/4558=62, ~4640=58...(8) HB2 GLU 103 - HA PHE 120 poor 15 97 60 25 6.2-8.5 4702/4558=15, 4712/7.2=12 Violated in 0 structures by 0.00 A. Peak 10556 from cnoeabs.peaks (1.72, 4.02, 56.87 ppm; 4.94 A): 0 out of 1 assignment used, quality = 0.00: HG2 ARG 118 - HA PHE 120 far 0 97 0 - 7.4-9.1 Violated in 20 structures by 3.25 A. Peak 10557 from cnoeabs.peaks (1.53, 4.02, 56.87 ppm; 5.72 A): 0 out of 0 assignments used, quality = 0.00: Peak 10558 from cnoeabs.peaks (0.63, 4.02, 56.87 ppm; 5.98 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 5 + HA PHE 120 OK 99 99 100 100 3.8-4.9 4709/4558=97...(16) QG1 VAL 78 - HA PHE 120 poor 14 84 30 56 7.2-8.1 10566/3.0=27...(5) QG1 VAL 22 - HA PHE 120 far 5 92 5 - 7.2-9.9 QD1 ILE 18 - HA PHE 120 far 0 77 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (0.84, 3.22, 36.75 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 5 + HB2 PHE 120 OK 99 99 100 100 2.3-3.5 4707/2.4=97, ~11352=58...(20) HG13 ILE 5 + HB2 PHE 120 OK 94 94 100 100 3.9-5.6 ~11352=68, ~4709=65...(19) QG2 VAL 22 - HB2 PHE 120 far 0 70 0 - 7.4-10.3 QG2 ILE 57 - HB2 PHE 120 far 0 100 0 - 7.8-11.7 Violated in 0 structures by 0.00 A. Peak 10563 from cnoeabs.peaks (0.64, 3.22, 36.75 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.82: QD1 ILE 5 + HB2 PHE 120 OK 69 70 100 100 2.0-3.8 4709/2.4=62, ~4707=60...(16) QG1 VAL 22 + HB2 PHE 120 OK 43 100 90 47 5.3-7.8 10850/2.4=26...(7) QD1 LEU 4 - HB2 PHE 120 far 0 100 0 - 9.0-10.5 QD1 ILE 71 - HB2 PHE 120 far 0 84 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (0.85, 2.34, 36.75 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 5 + HB3 PHE 120 OK 99 99 100 100 2.4-4.1 4707/2.4=88...(19) HG13 ILE 5 + HB3 PHE 120 OK 95 100 95 100 3.6-5.9 2.1/11352=71, ~4709=48...(20) QG2 VAL 117 - HB3 PHE 120 far 3 61 5 - 5.1-6.8 QG2 VAL 22 - HB3 PHE 120 far 0 96 0 - 7.2-11.2 QG2 ILE 57 - HB3 PHE 120 far 0 98 0 - 8.4-12.5 QD1 LEU 14 - HB3 PHE 120 far 0 84 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 10565 from cnoeabs.peaks (0.72, 2.34, 36.75 ppm; 6.20 A): 4 out of 9 assignments used, quality = 1.00: QG1 VAL 117 + HB3 PHE 120 OK 100 100 100 100 3.3-4.9 3.2/8279=94, ~8276=88...(11) QG2 VAL 78 + HB3 PHE 120 OK 76 100 90 85 6.8-8.7 4648/4640=65...(5) QD2 LEU 81 + HB3 PHE 120 OK 56 65 100 86 5.3-7.4 ~11295=52, 9949/4.4=40...(4) QD2 LEU 55 + HB3 PHE 120 OK 29 87 65 51 6.0-9.3 9522/2.4=26, ~9523=23...(4) QG2 ILE 18 - HB3 PHE 120 poor 6 98 25 25 6.3-9.3 ~10570=17, 10569/2.4=8 QD1 LEU 6 - HB3 PHE 120 far 0 94 0 - 8.2-9.3 QD2 LEU 6 - HB3 PHE 120 far 0 90 0 - 8.2-9.2 HG13 ILE 18 - HB3 PHE 120 far 0 99 0 - 8.9-11.3 QD1 ILE 57 - HB3 PHE 120 far 0 70 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 10566 from cnoeabs.peaks (0.63, 2.34, 36.75 ppm; 4.80 A): 2 out of 5 assignments used, quality = 1.00: QD1 ILE 5 + HB3 PHE 120 OK 99 99 100 100 2.2-3.4 11352=99, 4709/2.4=89...(20) QG1 VAL 78 + HB3 PHE 120 OK 42 84 90 55 5.3-7.0 4649/4640=27...(6) QG1 VAL 22 - HB3 PHE 120 far 5 92 5 - 5.0-8.7 QD1 ILE 18 - HB3 PHE 120 far 0 77 0 - 7.6-9.6 QD1 LEU 4 - HB3 PHE 120 far 0 81 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 10568 from cnoeabs.peaks (0.83, 6.79, 129.60 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.97: QG2 ILE 5 + QD PHE 120 OK 95 95 100 100 2.0-3.0 3.0/4709=66, 9048/2.2=56...(25) HG13 ILE 5 + QD PHE 120 OK 41 83 50 100 4.6-6.5 2.1/4709=78, ~11352=40...(22) QG2 ILE 57 - QD PHE 120 far 0 96 0 - 6.7-10.2 QD1 LEU 64 - QD PHE 120 far 0 60 0 - 7.3-10.5 QD2 LEU 82 - QD PHE 120 far 0 95 0 - 7.9-8.8 QG2 ILE 71 - QD PHE 120 far 0 72 0 - 8.8-10.7 QG2 ILE 15 - QD PHE 120 far 0 80 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 10569 from cnoeabs.peaks (0.73, 6.79, 129.60 ppm; 5.43 A): 4 out of 9 assignments used, quality = 0.99: QG1 VAL 117 + QD PHE 120 OK 86 86 100 100 2.2-3.1 3.2/4720=93...(18) QG2 ILE 7 + QD PHE 120 OK 79 89 100 89 5.1-6.3 ~9084=51, 3.3/9083=51...(6) QD2 LEU 55 + QD PHE 120 OK 55 99 80 70 5.5-8.0 9522=27, 2.1/9523=27...(7) QG2 ILE 18 + QD PHE 120 OK 25 76 80 41 5.2-7.2 2.9/10570=20...(5) QD1 LEU 6 - QD PHE 120 poor 16 64 25 - 6.6-7.7 HG13 ILE 18 - QD PHE 120 far 5 99 5 - 6.7-8.6 QG2 VAL 78 - QD PHE 120 far 0 95 0 - 7.2-8.2 QD2 LEU 6 - QD PHE 120 far 0 100 0 - 7.3-8.1 QG2 ILE 54 - QD PHE 120 far 0 83 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 10570 from cnoeabs.peaks (0.62, 6.79, 129.60 ppm; 5.13 A): 4 out of 4 assignments used, quality = 1.00: QD1 ILE 5 + QD PHE 120 OK 98 98 100 100 3.3-4.6 3.0/4707=95...(21) QD1 ILE 18 + QD PHE 120 OK 68 97 80 87 5.8-7.0 10524/10530=62...(7) QG1 VAL 78 + QD PHE 120 OK 60 99 100 61 5.4-6.3 2422/4707=21...(7) QG1 VAL 22 + QD PHE 120 OK 33 60 85 64 5.1-7.4 10590/4.6=16, 10850=15...(12) Violated in 0 structures by 0.00 A. Peak 10571 from cnoeabs.peaks (0.04, 6.79, 129.60 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 116 + QD PHE 120 OK 99 99 100 100 3.6-4.4 4734/2.2=100...(15) Violated in 0 structures by 0.00 A. Peak 10572 from cnoeabs.peaks (2.09, 6.79, 129.60 ppm; 6.20 A): 4 out of 6 assignments used, quality = 1.00: HB2 GLU 103 + QD PHE 120 OK 97 97 100 99 4.5-7.4 1.8/10213=91, ~10207=65...(5) HB3 PHE 79 + QD PHE 120 OK 64 64 100 99 2.6-3.2 ~4723=84, ~4640=80...(10) HB3 MET 121 + QD PHE 120 OK 60 72 100 83 6.0-7.1 1796/4.6=63, 759/1792=21...(6) HG2 GLU 119 + QD PHE 120 OK 54 68 100 79 5.6-6.5 7916/1792=41...(4) HG3 GLU 21 - QD PHE 120 far 0 89 0 - 9.2-11.3 HG2 GLU 21 - QD PHE 120 far 0 83 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 10575 from cnoeabs.peaks (6.57, 2.63, 31.22 ppm; 6.08 A): 1 out of 1 assignment used, quality = 0.73: QE TYR 27 + HG3 MET 121 OK 73 73 100 100 2.3-5.5 9056/10592=76...(9) Violated in 0 structures by 0.00 A. Peak 10576 from cnoeabs.peaks (6.57, 2.08, 33.64 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.85: QE TYR 27 + HB3 MET 121 OK 85 87 100 98 2.7-6.5 4590/3.0=83...(4) Violated in 1 structures by 0.01 A. Peak 10577 from cnoeabs.peaks (6.60, 1.92, 31.22 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.77: QE TYR 27 + HG2 MET 121 OK 77 77 100 100 2.0-4.6 10582/3.4=89, 10837=77...(11) Violated in 0 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (7.56, 1.83, 16.54 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.87: * HE21 GLN 25 + QE MET 121 OK 87 97 90 100 1.9-6.5 11011=78, 1.7/11012=75...(6) Violated in 10 structures by 0.56 A. Peak 10580 from cnoeabs.peaks (6.87, 1.83, 16.54 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.64: * HE22 GLN 25 + QE MET 121 OK 64 99 65 100 1.9-6.9 11012=97, 1.7/10579=84...(5) Violated in 13 structures by 0.84 A. Peak 10581 from cnoeabs.peaks (6.78, 1.83, 16.54 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.91: QD TYR 27 + QE MET 121 OK 87 87 100 100 2.4-5.1 2.2/10582=76...(18) QD PHE 120 + QE MET 121 OK 33 81 50 82 4.1-7.4 4.6/1799=56...(10) Violated in 0 structures by 0.00 A. Peak 10582 from cnoeabs.peaks (6.60, 1.83, 16.54 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.73: QE TYR 27 + QE MET 121 OK 73 77 100 95 1.9-5.4 2.2/10581=53...(13) Violated in 5 structures by 0.09 A. Peak 10584 from cnoeabs.peaks (3.87, 1.83, 16.54 ppm; 3.58 A): 0 out of 0 assignments used, quality = 0.00: Peak 10585 from cnoeabs.peaks (3.98, 1.83, 16.54 ppm; 5.09 A): 0 out of 4 assignments used, quality = 0.00: HA LYS 17 - QE MET 121 far 0 94 0 - 9.4-14.1 HA LEU 14 - QE MET 121 far 0 100 0 - 9.4-14.7 HA GLU 112 - QE MET 121 far 0 81 0 - 9.6-14.0 HA GLU 111 - QE MET 121 far 0 99 0 - 9.7-14.8 Violated in 20 structures by 3.89 A. Peak 10586 from cnoeabs.peaks (4.12, 1.83, 16.54 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.80: HA VAL 22 + QE MET 121 OK 74 81 95 96 2.3-6.6 10861=56, 3.2/10602=43...(13) HA GLN 122 + QE MET 121 OK 23 70 60 55 4.0-6.7 3.0/7929=37...(4) HA3 GLY 26 - QE MET 121 far 10 96 10 - 4.6-9.3 Violated in 6 structures by 0.02 A. Peak 10591 from cnoeabs.peaks (0.72, 2.63, 31.22 ppm; 4.90 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 117 + HG3 MET 121 OK 99 100 100 99 2.9-5.6 10509=91, 10593/1.8=62...(7) QD2 LEU 55 - HG3 MET 121 poor 15 87 85 20 4.3-7.1 10596/3.0=11, 10593/1.8=10 QG2 ILE 18 - HG3 MET 121 lone 6 98 40 15 5.1-7.7 2916/3.4=7, 10593/1.8=4...(4) QD2 LEU 81 - HG3 MET 121 far 3 65 5 - 6.3-9.1 HG13 ILE 18 - HG3 MET 121 far 0 99 0 - 7.6-10.1 QD1 ILE 57 - HG3 MET 121 far 0 70 0 - 8.1-10.4 QG2 VAL 78 - HG3 MET 121 far 0 100 0 - 8.4-10.7 QD1 LEU 6 - HG3 MET 121 far 0 94 0 - 9.4-11.1 QD2 LEU 6 - HG3 MET 121 far 0 90 0 - 9.6-11.6 Violated in 2 structures by 0.06 A. Peak 10592 from cnoeabs.peaks (0.61, 2.63, 31.22 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.91: QD1 ILE 5 + HG3 MET 121 OK 91 94 100 97 1.8-5.0 11353=58, 10594/1.8=42...(11) QD1 ILE 18 - HG3 MET 121 far 0 100 0 - 7.5-9.1 QG1 VAL 78 - HG3 MET 121 far 0 100 0 - 7.7-9.7 Violated in 4 structures by 0.10 A. Peak 10593 from cnoeabs.peaks (0.72, 1.92, 31.22 ppm; 5.01 A): 1 out of 9 assignments used, quality = 0.95: QG1 VAL 117 + HG2 MET 121 OK 95 100 100 95 3.4-5.8 10509/1.8=86...(8) QD2 LEU 55 - HG2 MET 121 poor 15 70 95 23 4.0-6.9 10591/1.8=10...(4) QG2 ILE 18 - HG2 MET 121 poor 6 100 25 25 5.2-8.1 10601/3.4=11...(4) QD2 LEU 81 - HG2 MET 121 far 0 84 0 - 6.8-9.4 HG13 ILE 18 - HG2 MET 121 far 0 92 0 - 7.5-10.7 QG2 VAL 78 - HG2 MET 121 far 0 98 0 - 8.4-10.1 QD1 ILE 57 - HG2 MET 121 far 0 87 0 - 8.6-10.8 QD1 LEU 6 - HG2 MET 121 far 0 99 0 - 9.6-11.4 QD2 LEU 6 - HG2 MET 121 far 0 73 0 - 9.7-11.1 Violated in 8 structures by 0.18 A. Peak 10594 from cnoeabs.peaks (0.62, 1.92, 31.22 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 5 + HG2 MET 121 OK 97 100 100 97 1.8-4.7 10592/1.8=70...(11) QG1 VAL 22 + HG2 MET 121 OK 63 77 100 82 2.9-5.4 10602/3.4=29, ~10861=27...(12) QD1 ILE 18 - HG2 MET 121 far 0 92 0 - 7.4-9.8 QG1 VAL 78 - HG2 MET 121 far 0 96 0 - 7.6-9.6 QD1 LEU 4 - HG2 MET 121 far 0 61 0 - 7.7-10.9 QD1 ILE 54 - HG2 MET 121 far 0 87 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 10596 from cnoeabs.peaks (0.75, 2.29, 33.64 ppm; 6.01 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 55 - HB2 MET 121 lone 3 92 55 5 6.1-8.9 10591/3.0=3, 10593/3.0=1 HG13 ILE 18 - HB2 MET 121 far 0 70 0 - 9.8-11.6 QG2 ILE 54 - HB2 MET 121 far 0 100 0 - 9.9-11.9 QG2 ILE 7 - HB2 MET 121 far 0 100 0 - 10.0-11.5 Violated in 19 structures by 1.03 A. Peak 10597 from cnoeabs.peaks (2.51, 1.83, 16.54 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.89: HG3 GLN 25 + QE MET 121 OK 86 90 100 96 2.0-4.4 1.8/11448=55, 11429=46...(6) HG3 GLN 122 + QE MET 121 OK 23 81 65 43 3.3-6.2 1805/775=22, 11429=19 Violated in 7 structures by 0.02 A. Peak 10598 from cnoeabs.peaks (2.81, 1.83, 16.54 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.97: HB3 GLN 25 + QE MET 121 OK 97 97 100 100 1.8-5.7 3.0/11448=77...(8) HE2 LYS 77 - QE MET 121 far 0 70 0 - 8.9-13.3 Violated in 3 structures by 0.05 A. Peak 10599 from cnoeabs.peaks (1.46, 1.83, 16.54 ppm; 4.13 A): 0 out of 7 assignments used, quality = 0.00: HG12 ILE 7 - QE MET 121 poor 20 100 20 - 4.6-9.9 HD2 LYS 53 - QE MET 121 poor 18 61 30 - 4.4-11.0 HG12 ILE 57 - QE MET 121 far 0 100 0 - 7.1-13.3 HG LEU 4 - QE MET 121 far 0 92 0 - 8.2-12.3 HG3 LYS 20 - QE MET 121 far 0 77 0 - 8.4-14.4 HB3 LEU 6 - QE MET 121 far 0 100 0 - 8.6-12.9 HG3 ARG 30 - QE MET 121 far 0 94 0 - 9.7-14.6 Violated in 20 structures by 1.20 A. Peak 10600 from cnoeabs.peaks (0.85, 1.83, 16.54 ppm; 4.04 A): 4 out of 9 assignments used, quality = 0.93: QG2 VAL 22 + QE MET 121 OK 68 96 80 89 3.6-7.5 2.1/10602=59...(6) HG13 ILE 5 + QE MET 121 OK 45 100 50 90 2.9-6.5 11535/3.4=37, ~10592=30...(13) QG2 ILE 5 + QE MET 121 OK 42 99 50 85 2.7-6.4 3.0/10602=24, ~10592=23...(12) QG2 VAL 117 + QE MET 121 OK 28 61 50 92 3.7-7.8 2.1/10601=70, ~10509=28...(9) QG2 ILE 57 - QE MET 121 far 0 98 0 - 5.7-11.6 QD1 LEU 14 - QE MET 121 far 0 84 0 - 7.1-11.6 HG13 ILE 57 - QE MET 121 far 0 84 0 - 7.3-11.9 QG2 THR 9 - QE MET 121 far 0 70 0 - 7.7-12.7 QG2 ILE 15 - QE MET 121 far 0 100 0 - 8.7-12.9 Violated in 10 structures by 0.27 A. Peak 10601 from cnoeabs.peaks (0.71, 1.83, 16.54 ppm; 3.35 A): 1 out of 7 assignments used, quality = 0.27: QG1 VAL 117 + QE MET 121 OK 27 77 50 71 1.9-6.2 10510=24, 10519/11516=21...(9) QG2 ILE 18 - QE MET 121 poor 6 87 35 21 4.1-8.3 11119/10861=9...(3) QD2 LEU 81 - QE MET 121 far 0 100 0 - 4.9-9.3 QD1 ILE 57 - QE MET 121 far 0 100 0 - 6.2-10.2 QG2 ILE 56 - QE MET 121 far 0 87 0 - 7.2-11.6 QD1 LEU 6 - QE MET 121 far 0 94 0 - 7.7-11.5 QG2 VAL 78 - QE MET 121 far 0 61 0 - 8.1-10.4 Violated in 14 structures by 1.21 A. Peak 10602 from cnoeabs.peaks (0.64, 1.83, 16.54 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.85: QG1 VAL 22 + QE MET 121 OK 77 100 95 81 1.9-6.3 10865=37, 3.2/10861=35...(15) QD1 ILE 5 + QE MET 121 OK 37 81 65 70 2.8-6.0 11353/3.4=19...(11) QD1 LEU 4 - QE MET 121 far 0 99 0 - 7.1-11.3 QD1 ILE 54 - QE MET 121 far 0 100 0 - 8.0-11.1 QD1 ILE 71 - QE MET 121 far 0 73 0 - 9.4-13.0 Violated in 10 structures by 0.27 A. Peak 10604 from cnoeabs.peaks (1.71, 2.24, 28.02 ppm; 5.48 A): 2 out of 2 assignments used, quality = 0.95: HG3 LYS 123 + HB2 GLN 122 OK 80 97 100 82 3.2-5.4 1813/4.7=71, 3.9/8292=35 HG3 LYS 123 + HB3 GLN 122 OK 76 97 100 78 4.7-6.6 1813/4.7=71, 3.9/8293=22 Violated in 0 structures by 0.00 A. Peak 10605 from cnoeabs.peaks (4.03, 2.52, 33.53 ppm; 4.58 A): 1 out of 11 assignments used, quality = 0.83: HA GLU 119 + HG3 GLN 122 OK 83 97 100 86 2.2-4.7 8289/7059=44...(6) HA PHE 120 - HG3 GLN 122 far 9 87 10 - 5.5-7.7 HA LYS 123 - HG3 GLN 122 far 5 94 5 - 5.8-6.6 HA2 GLY 125 - HG3 GLN 25 far 0 55 0 - 6.5-12.4 HB2 SER 126 - HG3 GLN 122 far 0 90 0 - 7.3-10.3 HA2 GLY 125 - HG3 GLN 122 far 0 65 0 - 7.4-9.0 HA GLU 119 - HG3 GLN 25 far 0 87 0 - 7.5-11.0 HB3 SER 126 - HG3 GLN 122 far 0 99 0 - 8.2-11.1 HA PHE 120 - HG3 GLN 25 far 0 75 0 - 8.9-12.9 HA LYS 123 - HG3 GLN 25 far 0 83 0 - 9.7-14.3 HB2 SER 126 - HG3 GLN 25 far 0 78 0 - 10.0-17.3 Violated in 1 structures by 0.01 A. Peak 10608 from cnoeabs.peaks (4.03, 2.41, 33.53 ppm; 4.36 A): 3 out of 9 assignments used, quality = 0.98: HA GLU 119 + HG2 GLN 122 OK 92 100 100 92 1.9-3.9 10605/1.8=63...(6) HA LYS 123 + HG2 GLN 122 OK 58 100 60 97 5.8-6.4 3.0/7933=67, ~7934=35...(10) HA PHE 120 + HG2 GLN 122 OK 41 100 80 51 5.2-6.9 8296/7933=39, 2231/7051=18 HA GLU 66 - HG3 GLN 62 far 8 76 10 - 5.3-9.0 HA GLU 66 - HG2 GLN 62 far 0 73 0 - 6.6-9.4 HA GLU 87 - HG3 GLN 85 far 0 72 0 - 7.6-9.8 HB2 SER 126 - HG2 GLN 122 far 0 100 0 - 7.6-10.3 HA GLU 87 - HG2 GLN 85 far 0 72 0 - 7.7-10.0 HB3 SER 126 - HG2 GLN 122 far 0 99 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 10610 from cnoeabs.peaks (4.64, 2.41, 33.53 ppm; 5.13 A): 0 out of 1 assignment used, quality = 0.00: HA GLN 25 - HG2 GLN 122 far 0 99 0 - 8.3-11.4 Violated in 20 structures by 5.05 A. Peak 10612 from cnoeabs.peaks (0.81, 1.70, 25.68 ppm; 4.36 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 74 - HG3 LYS 39 far 0 61 0 - 9.5-12.6 QD2 LEU 74 - HG3 LYS 39 far 0 57 0 - 9.9-12.7 Violated in 20 structures by 5.44 A. Peak 10615 from cnoeabs.peaks (0.98, 4.14, 54.65 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.73: QD1 ILE 3 + HA ALA 124 OK 73 73 100 99 1.9-3.2 9016=57, 9010/2.1=53...(18) Violated in 0 structures by 0.00 A. Peak 10616 from cnoeabs.peaks (1.21, 1.50, 18.93 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.92: HG13 ILE 3 + QB ALA 124 OK 92 92 100 100 1.9-4.0 2.1/9010=98, 3.2/9006=84...(9) Violated in 0 structures by 0.00 A. Peak 10617 from cnoeabs.peaks (1.06, 1.50, 18.93 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.83: QG2 ILE 3 + QB ALA 124 OK 83 84 100 100 1.7-2.0 9006=76, 3.0/9010=57...(15) HG2 LYS 2 - QB ALA 124 far 0 99 0 - 7.5-9.3 Violated in 0 structures by 0.00 A. Peak 10618 from cnoeabs.peaks (0.97, 1.50, 18.93 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 3 + QB ALA 124 OK 100 100 100 100 1.7-2.7 9010=100, 9016/2.1=56...(15) HD3 LYS 2 - QB ALA 124 far 0 96 0 - 7.0-10.1 Violated in 0 structures by 0.00 A. Peak 10619 from cnoeabs.peaks (0.85, 1.50, 18.93 ppm; 4.92 A): 2 out of 5 assignments used, quality = 1.00: HG13 ILE 5 + QB ALA 124 OK 98 99 100 99 3.8-5.4 2.1/10620=89...(7) QG2 ILE 5 + QB ALA 124 OK 90 94 100 96 4.5-5.9 3.0/10620=78...(7) QG2 VAL 22 - QB ALA 124 far 0 99 0 - 8.0-10.7 QG2 VAL 117 - QB ALA 124 far 0 77 0 - 8.3-9.0 QG2 ILE 57 - QB ALA 124 far 0 92 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 10620 from cnoeabs.peaks (0.63, 1.50, 18.93 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.96: QD1 ILE 5 + QB ALA 124 OK 96 99 100 96 2.5-4.1 10940=39, 9055/4646=31...(10) QD1 LEU 4 - QB ALA 124 poor 16 81 20 - 5.4-7.5 QG1 VAL 78 - QB ALA 124 far 8 84 10 - 5.5-6.6 QG1 VAL 22 - QB ALA 124 far 0 92 0 - 6.5-9.1 QD1 ILE 54 - QB ALA 124 far 0 97 0 - 8.5-11.0 QD1 ILE 18 - QB ALA 124 far 0 77 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10621 from cnoeabs.peaks (1.90, 1.50, 18.93 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.90: HB2 GLU 128 + QB ALA 124 OK 72 99 80 91 3.9-6.3 10630/2.1=76...(5) HB3 LYS 123 + QB ALA 124 OK 63 70 100 91 3.6-3.9 787/2.9=52, ~786=51...(5) HB ILE 71 - QB ALA 124 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 10624 from cnoeabs.peaks (6.99, 4.14, 54.65 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 79 + HA ALA 124 OK 100 100 100 100 2.4-3.5 4639=100, 4665/2.1=84...(15) Violated in 0 structures by 0.00 A. Peak 10625 from cnoeabs.peaks (7.10, 4.14, 54.65 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 79 + HA ALA 124 OK 100 100 100 100 3.1-3.8 4638=98, 4655/2.1=88...(16) Violated in 0 structures by 0.00 A. Peak 10626 from cnoeabs.peaks (6.57, 1.50, 18.93 ppm; 5.94 A): 1 out of 1 assignment used, quality = 0.83: QE TYR 27 + QB ALA 124 OK 83 84 100 99 3.7-5.5 9056/10620=83...(6) Violated in 0 structures by 0.00 A. Peak 10627 from cnoeabs.peaks (6.72, 1.50, 18.93 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: QD PHE 79 + QB ALA 124 OK 100 100 100 100 3.4-3.9 2.2/10629=94, 4646=91...(14) QE TYR 76 - QB ALA 124 far 0 100 0 - 8.7-9.5 QE TYR 102 - QB ALA 124 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10628 from cnoeabs.peaks (7.00, 1.50, 18.93 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.98: HZ PHE 79 + QB ALA 124 OK 98 98 100 100 2.1-3.4 4665=97, 2.2/10629=92...(12) QD TYR 102 - QB ALA 124 far 0 87 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 10629 from cnoeabs.peaks (7.10, 1.50, 18.93 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 79 + QB ALA 124 OK 99 99 100 100 1.8-2.0 4655=81, 2.2/4665=62...(14) Violated in 0 structures by 0.00 A. Peak 10630 from cnoeabs.peaks (1.89, 4.14, 54.65 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.30: HB2 GLU 128 + HA ALA 124 OK 30 94 40 81 4.9-7.7 1837/2264=55...(4) Violated in 20 structures by 1.88 A. 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 99 100 100 3.7-3.9 4.6=100 QB ALA 124 + HA3 GLY 125 OK 76 76 100 100 4.2-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 10634 from cnoeabs.peaks (4.46, 4.06, 46.29 ppm; 5.92 A): 2 out of 2 assignments used, quality = 0.89: HA SER 126 + HA3 GLY 125 OK 77 77 100 99 4.4-4.4 ~797=64, ~1968=63...(7) HA SER 126 + HA2 GLY 125 OK 53 53 100 99 4.7-4.8 ~797=64, ~1968=63...(7) Violated in 0 structures by 0.00 A. Peak 10638 from cnoeabs.peaks (8.10, 4.03, 63.46 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.93: H GLU 128 + HB3 SER 126 OK 77 87 100 89 5.0-5.7 1970/4.5=58, 8331/3.0=42...(5) H GLU 128 + HB2 SER 126 OK 68 76 100 89 4.9-5.9 1970/4.5=58, 8331/3.0=42...(5) Violated in 5 structures by 0.04 A. Peak 10641 from cnoeabs.peaks (1.89, 4.02, 63.46 ppm; 5.13 A): 0 out of 2 assignments used, quality = 0.00: HB2 GLU 128 - HB2 SER 126 poor 17 84 20 - 6.3-9.0 HB2 GLU 128 - HB3 SER 126 far 4 73 5 - 6.6-8.6 Violated in 20 structures by 1.28 A. Peak 10642 from cnoeabs.peaks (3.05, 4.02, 63.46 ppm; 5.66 A): 0 out of 0 assignments used, quality = 0.00: Peak 10644 from cnoeabs.peaks (0.95, 4.02, 63.46 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.67: QD1 ILE 3 + HB2 SER 126 OK 43 81 85 63 5.2-7.9 10657/4.0=21...(6) QD1 ILE 3 + HB3 SER 126 OK 42 70 95 63 5.7-7.3 9015=23, 10657/4.0=21...(6) Violated in 9 structures by 0.18 A. Peak 10648 from cnoeabs.peaks (3.06, 4.28, 56.22 ppm; 4.64 A): 0 out of 0 assignments used, quality = 0.00: Peak 10649 from cnoeabs.peaks (3.87, 4.28, 56.22 ppm; 5.72 A): 0 out of 0 assignments used, quality = 0.00: Peak 10650 from cnoeabs.peaks (4.03, 4.28, 56.22 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 126 + HA LEU 127 OK 94 100 100 94 4.5-5.6 7949/2.9=49, ~7950=37...(6) HB3 SER 126 + HA LEU 127 OK 93 99 100 94 4.0-5.5 7950/2.9=48, ~7949=37...(6) HA LYS 123 - HA LEU 127 far 0 100 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 10653 from cnoeabs.peaks (4.15, 1.01, 25.52 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.95: HA ALA 124 + QD1 LEU 127 OK 95 100 100 96 2.4-3.6 8322/3.1=46, 8320/3.1=40...(10) HA GLN 122 - QD1 LEU 127 far 0 87 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 10654 from cnoeabs.peaks (1.92, 0.97, 13.48 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.70: HB2 LEU 127 + QD1 ILE 3 OK 57 81 100 71 1.9-3.7 8320/9016=24...(8) HB2 GLU 128 + QD1 ILE 3 OK 30 65 65 69 3.6-6.4 3.0/10655=25...(7) HB3 LYS 123 - QD1 ILE 3 poor 14 99 30 47 4.7-6.1 787/10614=31, 2.9/9015=9...(6) HB2 LYS 123 - QD1 ILE 3 far 0 77 0 - 5.7-7.4 HG2 MET 121 - QD1 ILE 3 far 0 100 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 10655 from cnoeabs.peaks (2.02, 0.97, 13.48 ppm; 4.42 A): 2 out of 4 assignments used, quality = 0.81: HG3 GLU 128 + QD1 ILE 3 OK 59 96 95 65 3.5-6.5 3.0/11026=36...(4) HG2 GLU 128 + QD1 ILE 3 OK 52 96 85 64 2.8-6.3 3.0/11026=36...(4) HB2 MET 1 - QD1 ILE 3 far 14 96 15 - 4.9-8.4 HB2 GLN 25 - QD1 ILE 3 far 0 100 0 - 9.9-11.7 Violated in 5 structures by 0.16 A. Peak 10656 from cnoeabs.peaks (2.11, 0.97, 13.48 ppm; 4.54 A): 0 out of 3 assignments used, quality = 0.00: HG2 GLU 52 - QD1 ILE 3 far 0 94 0 - 7.3-11.4 HB3 GLU 119 - QD1 ILE 3 far 0 99 0 - 9.5-10.8 HB2 GLU 119 - QD1 ILE 3 far 0 96 0 - 9.9-11.2 Violated in 20 structures by 3.85 A. Peak 10657 from cnoeabs.peaks (7.87, 0.97, 13.48 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.99: H LEU 127 + QD1 ILE 3 OK 91 92 100 99 3.4-4.8 2257/9016=79...(7) H SER 126 + QD1 ILE 3 OK 88 90 100 98 4.5-5.8 8317/9016=62...(9) Violated in 0 structures by 0.00 A. Peak 10660 from cnoeabs.peaks (7.35, 1.82, 40.10 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.87: HD21 ASN 11 + HB2 LEU 14 OK 65 65 100 100 3.8-6.6 3.5/9137=86...(24) HD22 ASN 11 + HB2 LEU 14 OK 63 70 90 100 5.4-8.0 3.5/9137=86...(23) HD21 ASN 8 - HB2 LEU 14 far 0 73 0 - 8.0-10.7 Violated in 1 structures by 0.01 A. Peak 10661 from cnoeabs.peaks (5.16, 1.08, 17.85 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: HA VAL 78 + QG2 ILE 3 OK 97 97 100 100 2.8-4.4 9041/4=91, 10668=90...(9) Violated in 0 structures by 0.00 A. Peak 10662 from cnoeabs.peaks (5.46, 1.08, 17.85 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 4 + QG2 ILE 3 OK 100 100 100 100 3.2-3.8 2.9/4=98, ~2=63, 9046=52...(13) Violated in 0 structures by 0.00 A. Peak 10666 from cnoeabs.peaks (4.83, 5.17, 60.23 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 5 + HA VAL 78 OK 100 100 100 100 3.1-3.9 9894/491=97...(13) HA ILE 3 + HA VAL 78 OK 98 98 100 100 4.3-5.4 2/9041=97, 3.2/10668=73...(9) HA ILE 54 - HA VAL 78 far 0 80 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 10667 from cnoeabs.peaks (1.42, 5.17, 60.23 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.92: HB2 LEU 4 + HA VAL 78 OK 71 73 100 97 3.2-4.5 3.8/9041=70, ~11528=25...(15) HB3 LEU 4 + HA VAL 78 OK 71 73 100 97 3.9-5.5 3.8/9041=70, ~11528=26...(15) HG12 ILE 56 - HA VAL 78 far 0 98 0 - 7.5-9.7 Violated in 0 structures by 0.00 A. Peak 10668 from cnoeabs.peaks (1.07, 5.17, 60.23 ppm; 6.10 A): 1 out of 3 assignments used, quality = 0.97: QG2 ILE 3 + HA VAL 78 OK 97 97 100 100 2.8-4.4 4/9041=91, 10661=86...(9) HG2 LYS 2 - HA VAL 78 far 0 100 0 - 7.7-10.7 HG2 LYS 53 - HA VAL 78 far 0 69 0 - 8.4-13.6 Violated in 0 structures by 0.00 A. Peak 10670 from cnoeabs.peaks (5.53, 1.51, 44.53 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.84: HA LEU 80 + HB2 LEU 6 OK 84 84 100 100 3.7-4.5 10671/1.8=90...(12) Violated in 0 structures by 0.00 A. Peak 10671 from cnoeabs.peaks (5.54, 1.46, 44.53 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 80 + HB3 LEU 6 OK 96 96 100 100 2.3-3.1 9067/2482=84...(14) Violated in 0 structures by 0.00 A. Peak 10673 from cnoeabs.peaks (8.63, 4.91, 53.13 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.99: H ASN 8 + HA LEU 82 OK 99 99 100 100 2.6-4.0 9094=98, 9989/518=70...(7) H GLN 85 - HA LEU 82 far 0 87 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 10675 from cnoeabs.peaks (5.04, 4.50, 54.38 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 29 + HA GLN 28 OK 99 100 100 99 4.4-4.5 3.0/158=94, 3.2/9239=59...(6) HA ILE 56 - HA GLN 28 far 0 81 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 10679 from cnoeabs.peaks (5.11, 5.01, 56.73 ppm; 4.71 A): 0 out of 0 assignments used, 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 = 0.90: H ARG 30 + HA ILE 56 OK 90 97 100 93 2.8-3.7 11361/339=57...(10) Violated in 0 structures by 0.00 A. Peak 10681 from cnoeabs.peaks (8.80, 5.46, 53.34 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + HA LEU 4 OK 100 100 100 100 2.8-4.4 9485=100, 1350/9486=51...(15) Violated in 0 structures by 0.00 A. Peak 10682 from cnoeabs.peaks (8.59, 5.23, 59.28 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.97: H LEU 80 + HA VAL 104 OK 97 97 100 100 2.9-4.5 9926=96, 3.8/10220=53...(6) H LYS 94 - HA VAL 104 far 0 87 0 - 7.4-8.6 Violated in 2 structures by 0.01 A. Peak 10683 from cnoeabs.peaks (8.54, 5.21, 53.37 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: H ILE 57 + HA ASP 31 OK 100 100 100 100 2.2-3.7 9570=100, 11348/179=58...(6) H LYS 19 - HA ASP 31 far 0 94 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 10684 from cnoeabs.peaks (8.21, 4.78, 62.22 ppm; 5.79 A): 1 out of 3 assignments used, quality = 0.97: H ASP 84 + HA THR 108 OK 97 97 100 100 2.7-4.2 10023=96, 11403/2.9=80...(9) H GLU 111 - HA THR 108 far 0 100 0 - 7.8-8.3 H GLU 89 - HA THR 108 far 0 94 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 10686 from cnoeabs.peaks (8.71, 5.27, 53.06 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HA LEU 81 OK 100 100 100 100 3.1-4.2 10685=100, 10247/3.6=68...(11) Violated in 0 structures by 0.00 A. Peak 10688 from cnoeabs.peaks (8.32, 4.57, 55.95 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 103 + HA PHE 79 OK 100 100 100 100 2.6-4.3 10687=100, 4.0/11014=47 H MET 121 - HA PHE 79 far 0 100 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 10689 from cnoeabs.peaks (1.46, 5.17, 60.23 ppm; 5.03 A): 4 out of 7 assignments used, quality = 0.99: HB3 LEU 6 + HA VAL 78 OK 89 100 95 94 6.0-6.8 ~11567=43, ~11566=34...(12) HB2 LEU 4 + HA VAL 78 OK 64 65 100 98 3.2-4.5 3.8/9041=73...(14) HB3 LEU 4 + HA VAL 78 OK 64 65 100 98 3.9-5.5 3.8/9041=73...(14) HG LEU 4 + HA VAL 78 OK 47 99 50 94 5.2-6.9 5.3/9041=54...(10) HG LEU 80 - HA VAL 78 far 0 80 0 - 8.3-10.1 HB2 LEU 74 - HA VAL 78 far 0 89 0 - 8.3-11.0 HG12 ILE 7 - HA VAL 78 far 0 99 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 10690 from cnoeabs.peaks (8.40, 4.83, 60.54 ppm; 3.64 A): 0 out of 1 assignment used, quality = 0.00: H LYS 123 - HA ILE 5 far 0 99 0 - 9.4-10.4 Violated in 20 structures by 6.18 A. Peak 10692 from cnoeabs.peaks (1.07, 4.14, 54.65 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.92: QG2 ILE 3 + HA ALA 124 OK 92 92 100 100 3.1-4.3 10617/2.1=88...(13) Violated in 4 structures by 0.01 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.81: HG3 MET 1 + HA MET 1 OK 81 81 100 100 2.2-3.8 3.9=100 HE3 LYS 77 - HA MET 1 far 0 87 0 - 8.5-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.2 3.9=100 Violated in 0 structures by 0.00 A. 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 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10700 from cnoeabs.peaks (2.02, 4.12, 54.50 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.90: HB2 MET 1 + HA MET 1 OK 90 90 100 100 2.4-3.0 3.0=100 HG2 GLU 128 - HA MET 1 lone 0 99 40 1 2.5-9.4 HG3 GLU 128 - HA MET 1 lone 0 99 35 1 3.5-9.3 Violated in 0 structures by 0.00 A. 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 90 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10702 from cnoeabs.peaks (2.04, 2.60, 30.98 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.97: HB2 MET 1 + HG3 MET 1 OK 97 97 100 100 2.3-3.0 3.0=100 HG3 GLU 52 - HG3 MET 1 far 0 97 0 - 6.1-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 10704 from cnoeabs.peaks (2.20, 2.43, 30.98 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: HB3 MET 1 + HG2 MET 1 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 48 - HG2 MET 1 far 0 100 0 - 8.8-18.4 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (2.02, 2.43, 30.98 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.99: HB2 MET 1 + HG2 MET 1 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 GLU 128 - HG2 MET 1 far 0 90 0 - 5.8-11.8 HG3 GLU 128 - HG2 MET 1 far 0 90 0 - 6.0-11.4 HG3 GLU 52 - HG2 MET 1 far 0 61 0 - 6.7-13.2 Violated in 0 structures by 0.00 A. 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 99 100 100 2.2-4.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 10707 from cnoeabs.peaks (4.12, 2.60, 30.98 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: HA MET 1 + HG3 MET 1 OK 100 100 100 100 2.2-3.8 3.9=100 HA3 GLY 26 - HG3 MET 1 far 0 97 0 - 9.8-18.7 Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (4.12, 2.20, 33.17 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * HA MET 1 + HB3 MET 1 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 63 + HB2 MET 67 OK 20 36 85 66 4.4-6.7 2098/1440=26...(12) HB2 SER 72 - HB2 MET 67 far 0 57 0 - 7.9-11.5 HA GLN 62 - HB2 MET 67 far 0 43 0 - 8.3-9.7 HB3 SER 72 - HB2 MET 67 far 0 57 0 - 8.4-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10710 from cnoeabs.peaks (2.59, 2.20, 33.17 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.89: HG3 MET 1 + HB3 MET 1 OK 89 89 100 100 2.3-3.0 3.0=100 HE3 LYS 77 - HB3 MET 1 far 0 77 0 - 9.3-14.9 Violated in 0 structures by 0.00 A. Peak 10711 from cnoeabs.peaks (2.42, 2.20, 33.17 ppm; 3.47 A): 1 out of 5 assignments used, quality = 0.97: HG2 MET 1 + HB3 MET 1 OK 97 97 100 100 2.3-3.0 3.0=100 HG3 GLU 69 - HB2 MET 67 far 0 38 0 - 6.6-9.4 HG3 GLN 62 - HB2 MET 67 far 0 49 0 - 7.7-11.3 HG2 GLN 62 - HB2 MET 67 far 0 50 0 - 7.9-11.1 HG2 GLN 100 - HB2 MET 67 far 0 29 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 10712 from cnoeabs.peaks (2.02, 2.20, 33.17 ppm; 2.84 A): 1 out of 6 assignments used, quality = 0.99: HB2 MET 1 + HB3 MET 1 OK 99 99 100 100 1.8-1.8 1.8=100 HG2 GLU 128 - HB3 MET 1 far 9 89 10 - 3.6-9.9 HG3 GLU 128 - HB3 MET 1 far 4 89 5 - 3.7-9.9 HB2 GLU 66 - HB2 MET 67 far 0 38 0 - 4.4-6.5 HG3 GLU 52 - HB3 MET 1 far 0 61 0 - 7.8-11.8 HB3 GLU 48 - HB3 MET 1 far 0 77 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. 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 99 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 10715 from cnoeabs.peaks (6.72, 4.12, 54.50 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.74: QE TYR 76 + HA MET 1 OK 74 100 75 99 4.5-9.4 4606=90, 2.2/10720=85...(4) Violated in 14 structures by 1.00 A. Peak 10716 from cnoeabs.peaks (7.13, 2.60, 30.98 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 51 + HG3 MET 1 OK 99 100 100 99 2.3-6.1 10717/1.8=91...(3) Violated in 10 structures by 0.21 A. Peak 10717 from cnoeabs.peaks (7.13, 2.43, 30.98 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.90: QD PHE 51 + HG2 MET 1 OK 90 100 95 95 2.0-6.4 4599/3.0=73...(3) Violated in 9 structures by 0.29 A. Peak 10718 from cnoeabs.peaks (7.12, 2.20, 33.17 ppm; 5.90 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 51 + HB3 MET 1 OK 100 100 100 100 2.0-5.6 4599/1.8=99...(3) QE PHE 93 - HB2 MET 67 far 0 38 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 10719 from cnoeabs.peaks (7.12, 2.03, 33.17 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 51 + HB2 MET 1 OK 100 100 100 100 2.5-4.2 4599=100, 10717/3.0=69...(4) Violated in 0 structures by 0.00 A. Peak 10720 from cnoeabs.peaks (6.85, 4.12, 54.50 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.39: QD TYR 76 + HA MET 1 OK 39 100 45 86 4.4-9.3 2.2/4606=80, ~4573=13...(4) Violated in 16 structures by 1.52 A. Peak 10721 from cnoeabs.peaks (7.78, 4.12, 54.50 ppm; 4.58 A): 0 out of 0 assignments used, quality = 0.00: Peak 10723 from cnoeabs.peaks (7.79, 2.03, 33.17 ppm; 5.64 A): 0 out of 0 assignments used, quality = 0.00: Peak 10728 from cnoeabs.peaks (4.83, 0.64, 25.46 ppm; 5.29 A): 3 out of 3 assignments used, quality = 1.00: HA ILE 5 + QD1 LEU 4 OK 96 98 100 98 5.9-6.1 3.0/7313=84, ~7312=40...(11) HA ILE 3 + QD1 LEU 4 OK 92 100 100 92 3.0-5.1 2/2388=83, 3.2/9009=24...(5) HA ILE 54 + QD1 LEU 4 OK 61 61 100 100 4.1-6.3 3.0/10735=80, ~10734=45...(16) Violated in 0 structures by 0.00 A. Peak 10732 from cnoeabs.peaks (2.65, 0.64, 25.46 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.94: HB2 TYR 76 + QD1 LEU 4 OK 94 94 100 100 3.0-4.8 2.5/9037=88, 1.8/9045=85...(17) HG2 MET 42 - QD1 LEU 4 poor 20 100 20 - 4.7-10.0 HB2 TYR 27 - QD1 LEU 4 far 0 96 0 - 6.8-10.8 Violated in 1 structures by 0.00 A. Peak 10734 from cnoeabs.peaks (1.68, 0.68, 25.98 ppm; 3.49 A): 2 out of 15 assignments used, quality = 0.97: HB ILE 54 + QD2 LEU 4 OK 95 100 100 95 1.8-3.9 10735/2.1=56...(21) HB ILE 56 + QD2 LEU 4 OK 32 96 50 67 4.0-6.2 4464/3.1=18, 2.9/4477=12...(20) HB ILE 56 - QD1 LEU 55 poor 14 49 45 64 3.7-6.9 1364/4.6=32, 9537/4.0=21...(8) HG12 ILE 71 - QD2 LEU 4 far 8 84 10 - 4.4-8.0 HB ILE 54 - QD1 LEU 55 far 0 55 0 - 6.1-7.5 HD2 LYS 20 - QD1 LEU 55 far 0 51 0 - 7.6-12.6 HD3 LYS 16 - QD1 LEU 55 far 0 49 0 - 8.0-14.0 HD2 LYS 43 - QD2 LEU 4 far 0 100 0 - 8.3-12.6 HD3 LYS 43 - QD2 LEU 4 far 0 100 0 - 8.5-12.6 HD2 LYS 16 - QD1 LEU 55 far 0 53 0 - 8.6-14.5 HD2 LYS 73 - QD2 LEU 4 far 0 99 0 - 8.9-13.4 HD3 LYS 20 - QD1 LEU 55 far 0 52 0 - 9.0-12.3 HG12 ILE 71 - QD1 LEU 55 far 0 40 0 - 9.1-12.4 HD3 LYS 73 - QD2 LEU 4 far 0 100 0 - 9.4-12.7 HD3 LYS 40 - QD2 LEU 4 far 0 100 0 - 9.9-13.6 Violated in 3 structures by 0.02 A. Peak 10735 from cnoeabs.peaks (1.68, 0.64, 25.46 ppm; 3.51 A): 1 out of 7 assignments used, quality = 0.97: HB ILE 54 + QD1 LEU 4 OK 97 100 100 97 2.1-5.0 10734/2.1=46, 4382=45...(20) HB ILE 56 - QD1 LEU 4 poor 17 96 25 73 4.0-6.7 4464/3.1=18...(21) HG12 ILE 71 - QD1 LEU 4 far 13 84 15 - 4.4-7.9 HD3 LYS 73 - QD1 LEU 4 far 0 100 0 - 7.9-13.2 HD2 LYS 73 - QD1 LEU 4 far 0 99 0 - 8.2-13.2 HD3 LYS 43 - QD1 LEU 4 far 0 100 0 - 8.8-12.0 HD2 LYS 43 - QD1 LEU 4 far 0 100 0 - 9.2-12.3 Violated in 7 structures by 0.16 A. Peak 10736 from cnoeabs.peaks (1.87, 0.64, 25.46 ppm; 3.88 A): 1 out of 6 assignments used, quality = 0.62: QE MET 42 + QD1 LEU 4 OK 62 96 85 77 1.9-6.4 10737/2.1=40...(9) HG LEU 45 - QD1 LEU 4 lone 9 96 55 17 3.2-6.0 10737/2.1=9, 4621/4631=6 QE MET 67 - QD1 LEU 4 far 0 98 0 - 5.5-8.3 HG LEU 127 - QD1 LEU 4 far 0 73 0 - 8.4-11.6 HB3 LYS 73 - QD1 LEU 4 far 0 57 0 - 9.0-12.2 HB ILE 7 - QD1 LEU 4 far 0 65 0 - 9.3-10.7 Violated in 12 structures by 0.55 A. Peak 10737 from cnoeabs.peaks (1.88, 0.68, 25.98 ppm; 3.94 A): 1 out of 18 assignments used, quality = 0.73: QE MET 42 + QD2 LEU 4 OK 73 87 100 84 1.9-5.0 10736/2.1=62...(9) HB ILE 7 - QD1 LEU 55 poor 20 38 75 69 3.6-5.8 ~11617=29, ~11136=19...(8) HB ILE 71 - QD2 LEU 4 poor 16 65 40 61 3.7-8.5 ~5089=18, ~9789=14...(12) HG LEU 45 - QD2 LEU 4 lone 16 99 80 20 3.4-6.3 10736/2.1=9, 4621/9040=7 QE MET 67 - QD2 LEU 4 far 5 100 5 - 5.4-8.4 QE MET 67 - QD1 LEU 55 far 0 55 0 - 5.8-9.3 QE MET 42 - QD1 LEU 55 far 0 42 0 - 6.0-9.3 HB3 ARG 118 - QD1 LEU 55 far 0 51 0 - 7.3-10.5 HB3 LYS 20 - QD1 LEU 55 far 0 42 0 - 7.9-11.1 HB2 LYS 20 - QD1 LEU 55 far 0 42 0 - 8.1-10.8 HB2 LYS 73 - QD2 LEU 4 far 0 70 0 - 8.2-13.1 HB ILE 71 - QD1 LEU 55 far 0 29 0 - 8.9-11.7 HB3 LYS 16 - QD1 LEU 55 far 0 55 0 - 9.0-12.4 HB3 LYS 73 - QD2 LEU 4 far 0 73 0 - 9.1-12.4 HB ILE 7 - QD2 LEU 4 far 0 81 0 - 9.3-10.6 HB2 LYS 16 - QD1 LEU 55 far 0 55 0 - 9.3-12.4 HG LEU 127 - QD2 LEU 4 far 0 57 0 - 9.3-11.7 HG LEU 45 - QD1 LEU 55 far 0 54 0 - 9.6-12.6 Violated in 8 structures by 0.18 A. Peak 10739 from cnoeabs.peaks (1.07, 1.81, 27.65 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.91: QG2 ILE 3 + HG12 ILE 5 OK 91 92 100 99 2.8-4.5 4662/4645=62...(16) HG2 LYS 2 - HG12 ILE 5 far 0 100 0 - 8.5-13.5 Violated in 0 structures by 0.00 A. Peak 10740 from cnoeabs.peaks (1.05, 0.62, 13.41 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.82: HB2 PHE 79 + QD1 ILE 5 OK 82 87 95 100 2.1-6.0 2.4/9055=59, ~4645=39...(20) HG2 LYS 2 - QD1 ILE 54 far 3 56 5 - 4.5-10.5 HG3 LYS 2 - QD1 ILE 54 far 0 41 0 - 5.9-9.5 HG3 LYS 2 - QD1 ILE 5 far 0 61 0 - 7.0-10.4 HG2 LYS 2 - QD1 ILE 5 far 0 81 0 - 7.2-11.2 HB2 PHE 79 - QD1 ILE 18 far 0 62 0 - 8.0-9.4 Violated in 6 structures by 0.29 A. Peak 10741 from cnoeabs.peaks (4.73, 0.84, 17.12 ppm; 5.67 A): 0 out of 4 assignments used, quality = 0.00: HA THR 9 - QG2 ILE 15 poor 18 91 20 - 6.9-7.8 HA ARG 30 - QG2 ILE 15 lone 2 90 30 8 5.9-8.0 3349/10942=7 HA THR 9 - QG2 ILE 5 far 0 98 0 - 9.5-10.3 HA ARG 30 - QG2 ILE 5 far 0 97 0 - 9.5-11.2 Violated in 20 structures by 0.66 A. Peak 10742 from cnoeabs.peaks (5.15, 0.71, 25.51 ppm; 4.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 10743 from cnoeabs.peaks (3.92, 0.73, 25.37 ppm; 4.19 A): 4 out of 5 assignments used, quality = 1.00: HA LEU 64 + QD2 LEU 6 OK 92 94 100 98 2.4-3.7 3.7/11611=68...(16) HA LEU 38 + QD1 LEU 63 OK 71 81 90 98 4.4-5.9 3.0/10986=59, ~9684=36...(12) HA LEU 64 + QD1 LEU 63 OK 68 74 95 96 5.5-5.7 2.9/390=64, ~387=29...(14) HB2 SER 35 + QD1 LEU 63 OK 56 83 70 97 3.9-6.6 10797/2.1=73, ~11048=41...(9) HA LEU 38 - QD2 LEU 6 far 0 99 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 10745 from cnoeabs.peaks (0.84, 5.18, 58.22 ppm; 5.06 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 5 + HA ILE 7 OK 93 99 100 93 4.2-5.0 10941/3.8=66...(7) QG2 ILE 57 + HA ILE 7 OK 90 99 95 96 4.3-6.6 ~9078=38, ~9080=36...(15) QG2 THR 9 + HA ILE 7 OK 63 65 100 96 4.2-5.8 ~9108=55, ~9082=44...(6) HG13 ILE 57 - HA ILE 7 poor 17 81 25 86 6.0-8.8 ~9581=41, 4.2/9079=28...(10) QG2 ILE 15 - HA ILE 7 far 0 100 0 - 6.8-9.1 QD1 LEU 14 - HA ILE 7 far 0 81 0 - 6.8-8.3 QG2 VAL 22 - HA ILE 7 far 0 94 0 - 8.2-10.1 HG13 ILE 5 - HA ILE 7 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 10750 from cnoeabs.peaks (4.73, 5.90, 51.10 ppm; 5.67 A): 2 out of 2 assignments used, quality = 0.94: HA THR 9 + HA ASN 8 OK 84 84 100 100 4.4-4.4 3.0/37=100, 3.2/9123=60...(5) HA ASN 59 + HA ASN 8 OK 65 77 100 84 3.5-5.0 9097/829=56, 9096/823=46...(4) Violated in 0 structures by 0.00 A. Peak 10751 from cnoeabs.peaks (4.91, 2.89, 42.58 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.98: HA LEU 82 + HB2 ASN 8 OK 98 99 100 99 2.7-4.0 5580/9971=72...(6) HA ILE 57 - HB2 ASN 8 far 0 98 0 - 6.9-8.3 HA ARG 105 - HB2 ASN 8 far 0 94 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10755 from cnoeabs.peaks (1.43, 0.86, 19.21 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.77: HB3 GLN 83 + QG2 THR 9 OK 65 94 70 100 4.6-6.4 ~9995=58, ~9110=57...(12) QB ALA 113 + QG2 THR 9 OK 35 61 100 56 4.3-5.5 9109/2.1=23...(8) HG3 LYS 17 - QG2 THR 9 far 0 100 0 - 6.7-8.9 HG LEU 80 - QG2 THR 9 far 0 87 0 - 6.7-10.4 HB3 LEU 63 - QG2 THR 9 far 0 100 0 - 8.4-9.7 HB3 LYS 61 - QG2 THR 9 far 0 100 0 - 8.5-10.3 HG12 ILE 56 - QG2 THR 9 far 0 100 0 - 9.5-11.1 Violated in 15 structures by 0.30 A. Peak 10756 from cnoeabs.peaks (1.38, 0.86, 19.21 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.99: HG LEU 14 + QG2 THR 9 OK 99 100 100 99 3.0-4.3 ~11006=49, 2662=46...(12) HB3 LEU 81 - QG2 THR 9 lone 7 57 90 13 4.1-6.6 11620/11583=9, 9953/10745=3 Violated in 0 structures by 0.00 A. Peak 10757 from cnoeabs.peaks (2.22, 0.86, 19.21 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.99: HB2 GLN 83 + QG2 THR 9 OK 99 99 100 100 4.2-5.6 9110/2.1=100...(13) Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (8.25, 3.03, 38.35 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.77: H ILE 15 + HB2 ASN 11 OK 77 81 100 96 4.2-6.2 4.6/9137=56...(7) H GLU 112 - HB2 ASN 11 far 0 65 0 - 9.7-11.3 Violated in 6 structures by 0.16 A. Peak 10763 from cnoeabs.peaks (4.03, 2.64, 41.16 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.99: HA GLU 13 + HB2 ASP 12 OK 92 98 100 94 4.0-4.7 3.0/61=47, ~61=36...(7) HA GLU 13 + HB3 ASP 12 OK 92 98 100 94 4.3-5.6 3.0/61=47, ~61=36...(7) Violated in 0 structures by 0.00 A. Peak 10769 from cnoeabs.peaks (2.85, 3.98, 57.26 ppm; 5.80 A): 1 out of 1 assignment used, quality = 0.98: HE2 LYS 17 + HA LEU 14 OK 98 98 100 100 2.3-6.3 2883/7979=76...(12) Violated in 4 structures by 0.05 A. Peak 10770 from cnoeabs.peaks (2.75, 1.50, 40.10 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASN 11 + HB3 LEU 14 OK 100 100 100 100 2.2-6.3 9145/1.8=99, 1.8/9167=95...(20) Violated in 1 structures by 0.01 A. Peak 10771 from cnoeabs.peaks (2.74, 1.82, 40.10 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.98: HB3 ASN 11 + HB2 LEU 14 OK 98 98 100 100 3.2-6.3 1.8/9137=95, 9146/1.8=80...(21) Violated in 3 structures by 0.04 A. Peak 10772 from cnoeabs.peaks (7.35, 1.50, 40.10 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.95: HD21 ASN 11 + HB3 LEU 14 OK 81 81 100 100 3.5-7.4 3.5/9167=79, ~9137=69...(23) HD22 ASN 11 + HB3 LEU 14 OK 75 84 90 100 5.1-8.5 3.5/9167=79, ~9137=69...(22) Violated in 1 structures by 0.04 A. Peak 10773 from cnoeabs.peaks (0.71, 3.22, 66.59 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 57 + HA ILE 15 OK 89 100 95 94 3.1-5.6 9559=58, 9556/3.0=55...(12) QG2 ILE 18 + HA ILE 15 OK 87 92 100 95 3.4-4.8 2.1/7985=63, 4.0/1993=40...(9) QD2 LEU 81 - HA ILE 15 far 5 100 5 - 5.3-7.0 QG1 VAL 117 - HA ILE 15 far 0 84 0 - 6.0-8.3 QD1 LEU 6 - HA ILE 15 far 0 97 0 - 7.9-9.1 QG2 ILE 56 - HA ILE 15 far 0 81 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (0.84, 0.73, 29.49 ppm; 4.04 A): 2 out of 8 assignments used, quality = 0.75: QD1 LEU 14 + HG13 ILE 18 OK 64 65 100 97 3.2-4.6 11652/2.1=50, ~11651=49...(14) QG2 VAL 22 + HG13 ILE 18 OK 31 84 50 73 4.5-6.2 9186/3.8=26...(8) QG2 ILE 57 - HG13 ILE 18 poor 12 100 25 48 4.7-7.0 4511/2.9=18, 4515/3.2=18...(8) QG2 ILE 5 - HG13 ILE 18 far 0 100 0 - 5.7-7.4 QG2 ILE 15 - HG13 ILE 18 far 0 98 0 - 6.4-7.2 HG13 ILE 57 - HG13 ILE 18 far 0 65 0 - 6.7-9.8 HG13 ILE 5 - HG13 ILE 18 far 0 99 0 - 7.6-10.9 QD2 LEU 82 - HG13 ILE 18 far 0 73 0 - 9.6-10.5 Violated in 1 structures by 0.01 A. Peak 10780 from cnoeabs.peaks (0.85, 1.76, 29.49 ppm; 3.91 A): 3 out of 9 assignments used, quality = 0.98: QD1 LEU 14 + HG12 ILE 18 OK 89 90 100 100 2.2-3.5 11652/2.1=73, ~11651=46...(20) QG2 VAL 117 + HG12 ILE 18 OK 67 70 100 97 2.7-4.6 10524/2.1=52, 10520=44...(18) QG2 THR 9 + HG12 ILE 18 OK 41 77 95 56 4.5-5.9 9118/2.1=20...(7) QG2 ILE 57 - HG12 ILE 18 far 10 96 10 - 4.9-6.8 QG2 VAL 22 - HG12 ILE 18 far 5 98 5 - 5.4-6.7 QG2 ILE 15 - HG12 ILE 18 far 0 100 0 - 5.6-7.4 HG13 ILE 57 - HG12 ILE 18 far 0 90 0 - 7.0-9.9 QG2 ILE 5 - HG12 ILE 18 far 0 97 0 - 7.0-8.3 HG13 ILE 5 - HG12 ILE 18 far 0 100 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 10783 from cnoeabs.peaks (0.88, 1.83, 32.33 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.73: QG2 VAL 29 + HB3 LYS 19 OK 73 73 100 100 3.6-4.8 11031/1.8=84...(17) QG2 THR 9 - HB3 LYS 19 far 0 70 0 - 7.0-8.4 QG2 VAL 117 - HB3 LYS 19 far 0 77 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (0.82, 1.10, 27.09 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.68: QG1 VAL 29 + HG2 LYS 19 OK 68 70 100 98 1.8-2.4 10926=60, 11520/3.8=51...(13) QD1 LEU 114 - HG2 LYS 19 far 0 87 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 10785 from cnoeabs.peaks (0.72, 1.10, 27.09 ppm; 4.25 A): 3 out of 7 assignments used, quality = 0.93: QG2 ILE 18 + HG2 LYS 19 OK 74 99 85 88 3.7-6.0 3.7/1133=52, 9191/3.8=44...(9) QD1 ILE 57 + HG2 LYS 19 OK 61 73 100 83 2.3-4.2 10787/3.0=21...(12) QD2 LEU 55 + HG2 LYS 19 OK 33 84 85 47 4.1-6.2 9504/3.8=39, 9528/1133=13 QG1 VAL 117 - HG2 LYS 19 far 0 100 0 - 7.4-10.0 HG13 ILE 18 - HG2 LYS 19 far 0 98 0 - 7.5-8.8 QD2 LEU 81 - HG2 LYS 19 far 0 70 0 - 8.7-10.4 QD1 LEU 6 - HG2 LYS 19 far 0 96 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10786 from cnoeabs.peaks (0.84, 1.59, 29.87 ppm; 3.62 A): 3 out of 8 assignments used, quality = 0.97: QG2 ILE 15 + HD2 LYS 19 OK 76 94 100 81 1.9-3.1 10913=30, 10913/1.8=26...(9) QG2 ILE 15 + HD3 LYS 19 OK 75 94 100 80 2.2-4.4 10913=29, 10913/1.8=26...(9) QG2 ILE 57 + HD2 LYS 19 OK 49 100 70 70 2.7-5.9 3.0/10787=15...(14) QG2 ILE 57 - HD3 LYS 19 poor 20 100 20 - 4.2-7.0 QG2 VAL 22 - HD2 LYS 19 far 7 73 10 - 4.6-6.2 QG2 VAL 22 - HD3 LYS 19 far 4 73 5 - 3.6-6.3 QG2 ILE 5 - HD3 LYS 19 far 0 100 0 - 7.4-12.3 QG2 ILE 5 - HD2 LYS 19 far 0 100 0 - 7.6-12.1 Violated in 0 structures by 0.00 A. Peak 10787 from cnoeabs.peaks (0.72, 1.59, 29.87 ppm; 4.20 A): 4 out of 14 assignments used, quality = 0.99: QD1 ILE 57 + HD2 LYS 19 OK 80 87 100 92 1.9-5.3 9558/3.0=27, 9558/3.0=27...(16) QD1 ILE 57 + HD3 LYS 19 OK 80 87 100 92 2.7-5.5 9558/3.0=27, 9558/3.0=27...(17) QG2 ILE 18 + HD2 LYS 19 OK 54 100 70 77 3.4-6.3 9191/5.4=31...(12) QG2 ILE 18 + HD3 LYS 19 OK 27 100 35 76 4.5-7.1 9191/5.4=31...(11) QD2 LEU 55 - HD2 LYS 19 far 10 70 15 - 3.8-8.1 QD2 LEU 55 - HD3 LYS 19 far 3 70 5 - 3.0-8.2 HG13 ILE 18 - HD2 LYS 19 far 0 92 0 - 6.7-9.4 QG1 VAL 117 - HD3 LYS 19 far 0 100 0 - 7.2-11.2 QG1 VAL 117 - HD2 LYS 19 far 0 100 0 - 7.4-10.5 QD2 LEU 81 - HD2 LYS 19 far 0 84 0 - 7.6-10.7 HG13 ILE 18 - HD3 LYS 19 far 0 92 0 - 7.8-9.8 QD2 LEU 81 - HD3 LYS 19 far 0 84 0 - 8.7-11.1 QD1 LEU 6 - HD2 LYS 19 far 0 99 0 - 8.8-11.5 QD1 LEU 6 - HD3 LYS 19 far 0 99 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 10788 from cnoeabs.peaks (3.37, 2.10, 35.31 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 18 + HG3 GLU 21 OK 99 100 100 99 2.3-5.0 8005/3.0=75, 8004/3.0=54...(12) HA ILE 18 + HG2 GLU 21 OK 98 99 100 99 3.0-5.3 8005/3.0=75, 8004/3.0=54...(12) Violated in 0 structures by 0.00 A. Peak 10789 from cnoeabs.peaks (0.71, 5.21, 53.37 ppm; 4.23 A): 2 out of 8 assignments used, quality = 0.99: QD1 ILE 57 + HA ASP 31 OK 97 99 100 98 1.9-4.4 3.2/9270=61, 9573=59...(11) QG2 ILE 56 + HA ASP 31 OK 55 70 95 84 3.4-6.4 4.4/9570=52...(4) QD1 LEU 6 - HA ASP 31 far 0 99 0 - 5.9-7.4 QG2 ILE 18 - HA ASP 31 far 0 97 0 - 6.7-9.2 QD2 LEU 63 - HA ASP 31 far 0 100 0 - 7.0-9.0 QG1 VAL 117 - HA ASP 31 far 0 92 0 - 9.4-11.0 QD2 LEU 45 - HA ASP 31 far 0 81 0 - 9.5-12.1 QD2 LEU 81 - HA ASP 31 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10791 from cnoeabs.peaks (0.69, 1.78, 33.88 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.83: QD2 LEU 63 + HB VAL 32 OK 58 77 95 80 3.3-5.4 2.1/11488=36, ~10931=32...(9) QG2 ILE 56 + HB VAL 32 OK 58 100 95 61 3.3-6.6 10677/1205=37...(7) QD1 ILE 57 - HB VAL 32 far 0 84 0 - 5.2-7.7 QD1 LEU 55 - HB VAL 32 far 0 92 0 - 7.5-11.1 QD2 LEU 4 - HB VAL 32 far 0 73 0 - 8.6-11.4 Violated in 5 structures by 0.09 A. Peak 10794 from cnoeabs.peaks (0.86, 2.91, 40.87 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.97: QG1 VAL 32 + HB2 ASN 33 OK 97 98 100 99 5.1-5.3 185/4.0=79, 9319/4.6=76...(7) QG2 ILE 15 - HB2 ASN 33 far 0 81 0 - 7.6-9.0 QG2 THR 9 - HB2 ASN 33 far 0 100 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 10795 from cnoeabs.peaks (0.75, 2.91, 40.87 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 63 + HB2 ASN 33 OK 96 99 100 98 4.3-5.5 9308/3.0=90, 9320/4.6=43...(6) QG2 VAL 32 - HB2 ASN 33 far 3 70 5 - 6.4-7.0 QD1 ILE 15 - HB2 ASN 33 far 3 65 5 - 6.6-8.8 Violated in 3 structures by 0.02 A. Peak 10796 from cnoeabs.peaks (2.98, 3.92, 62.76 ppm; 6.16 A): 1 out of 6 assignments used, quality = 0.20: HE2 LYS 39 + HB2 SER 35 OK 20 100 65 31 3.9-9.6 7.3/212=18, ~9335=15 HE3 LYS 39 - HB2 SER 35 poor 15 99 50 31 3.6-10.3 7.3/212=18, ~9335=15 HE2 LYS 40 - HB2 SER 35 far 10 96 10 - 7.2-12.2 HE3 LYS 40 - HB2 SER 35 far 0 92 0 - 8.2-12.1 HE2 LYS 43 - HB2 SER 35 far 0 99 0 - 8.5-14.3 HE3 LYS 43 - HB2 SER 35 far 0 100 0 - 9.5-14.8 Violated in 16 structures by 1.19 A. Peak 10797 from cnoeabs.peaks (0.72, 3.92, 62.76 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 63 + HB2 SER 35 OK 93 96 100 98 2.2-4.8 9338/3.0=67, 9680=36...(12) Violated in 5 structures by 0.10 A. Peak 10798 from cnoeabs.peaks (0.88, 3.92, 62.76 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 38 + HB2 SER 35 OK 84 84 100 100 2.7-3.9 10988/10797=64, ~8029=47...(14) QG1 VAL 32 + HB2 SER 35 OK 67 94 100 71 5.1-6.1 9337/3.0=47...(4) Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (0.64, 1.66, 33.46 ppm; 5.95 A): 1 out of 5 assignments used, quality = 0.98: QD1 ILE 54 + HB2 GLU 52 OK 98 99 100 99 4.1-6.8 11545/1.8=98...(4) QD1 LEU 4 - HB2 GLU 52 poor 16 100 70 23 4.7-9.9 10800/310=16, 11351/1.8=7 QD1 ILE 5 - HB2 GLU 52 far 4 73 5 - 6.8-11.7 QD1 ILE 71 - HB2 GLU 52 far 0 81 0 - 8.5-13.7 QG1 VAL 22 - HB2 GLU 52 far 0 100 0 - 9.7-14.0 Violated in 2 structures by 0.05 A. Peak 10805 from cnoeabs.peaks (0.78, 1.34, 24.91 ppm; 3.50 A): 1 out of 4 assignments used, quality = 0.39: QD2 LEU 64 + HG3 LYS 65 OK 39 100 50 77 2.9-6.3 4.7/1427=27...(9) QD1 LEU 80 - HG3 LYS 65 far 5 97 5 - 4.9-9.1 QD2 LEU 80 - HG3 LYS 65 far 0 98 0 - 5.2-8.9 QD1 LEU 82 - HG3 LYS 65 far 0 99 0 - 6.1-9.8 Violated in 19 structures by 1.26 A. Peak 10806 from cnoeabs.peaks (0.80, 1.93, 32.27 ppm; 3.53 A): 2 out of 18 assignments used, quality = 0.63: QD1 LEU 64 + HB3 LYS 65 OK 40 90 70 65 3.0-7.0 ~10805=30, 396/4.0=21...(9) QD1 LEU 64 + HB2 LYS 65 OK 38 89 65 65 2.9-6.7 ~10805=30, 396/4.0=21...(9) QD1 LEU 114 - HB3 LYS 115 poor 11 98 25 44 2.9-7.1 7885/4.0=20...(7) QD1 LEU 114 - HB2 LYS 115 poor 10 94 25 44 2.9-7.1 7885/4.0=20, 4.5/10443=9...(7) QD1 LEU 81 - HB2 LYS 115 far 0 71 0 - 5.3-6.6 QD1 LEU 81 - HB3 LYS 115 far 0 76 0 - 5.7-6.9 QD1 LEU 74 - HB3 LYS 40 far 0 45 0 - 8.0-11.0 QD1 LEU 81 - HB2 LYS 123 far 0 80 0 - 8.3-10.2 QD2 LEU 74 - HB3 LYS 40 far 0 40 0 - 8.3-11.0 QD1 LEU 74 - HB3 LYS 39 far 0 26 0 - 8.4-11.7 QD2 LEU 74 - HB3 LYS 39 far 0 23 0 - 9.0-11.9 QD1 LEU 74 - HB2 LYS 39 far 0 56 0 - 9.1-12.7 QG2 ILE 71 - HB3 LYS 40 far 0 45 0 - 9.3-12.7 QG2 ILE 71 - HB3 LYS 65 far 0 81 0 - 9.5-10.6 QG2 ILE 71 - HB3 LYS 39 far 0 26 0 - 9.6-12.8 QG2 ILE 71 - HB2 LYS 65 far 0 80 0 - 9.6-10.9 QG2 ILE 71 - HB2 LYS 39 far 0 56 0 - 9.9-13.0 QD2 LEU 74 - HB2 LYS 39 far 0 50 0 - 9.9-12.8 Violated in 7 structures by 0.73 A. Peak 10807 from cnoeabs.peaks (8.02, 0.65, 14.72 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: H SER 72 + QD1 ILE 71 OK 100 100 100 100 4.0-4.8 441/1471=93, 447=89...(11) H LYS 65 + QD1 ILE 71 OK 22 77 90 32 7.0-8.8 8148/9784=29, 1775/6670=2 Violated in 0 structures by 0.00 A. Peak 10808 from cnoeabs.peaks (7.10, 2.83, 41.93 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 79 + HE2 LYS 77 OK 98 98 100 100 2.0-4.9 2.2/10809=73...(11) Violated in 4 structures by 0.02 A. Peak 10809 from cnoeabs.peaks (7.00, 2.83, 41.93 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.83: HZ PHE 79 + HE2 LYS 77 OK 83 84 100 99 2.1-5.2 2.2/10808=77, ~10810=54...(9) QD TYR 102 - HE2 LYS 77 far 6 61 10 - 5.7-9.6 HZ PHE 120 - HE2 LYS 77 far 0 73 0 - 8.4-12.4 Violated in 1 structures by 0.01 A. Peak 10810 from cnoeabs.peaks (7.10, 2.58, 41.93 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 79 + HE3 LYS 77 OK 100 100 100 100 2.5-5.2 10808/1.8=86...(14) Violated in 2 structures by 0.01 A. Peak 10811 from cnoeabs.peaks (6.99, 2.58, 41.93 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.98: HZ PHE 79 + HE3 LYS 77 OK 98 99 100 99 2.3-5.2 2.2/10810=81, ~10808=66...(11) QD TYR 102 - HE3 LYS 77 far 0 100 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. 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 92 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 10815 from cnoeabs.peaks (5.23, 1.75, 45.67 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 104 + HB2 LEU 80 OK 100 100 100 100 1.9-3.3 10220=91, 3.2/11383=71...(22) Violated in 0 structures by 0.00 A. Peak 10816 from cnoeabs.peaks (4.57, 1.75, 45.67 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: HA PHE 79 + HB2 LEU 80 OK 97 100 100 98 4.0-4.9 496/3.8=98 Violated in 0 structures by 0.00 A. Peak 10819 from cnoeabs.peaks (6.99, 4.56, 55.64 ppm; 4.15 A): 0 out of 0 assignments used, quality = 0.00: Peak 10822 from cnoeabs.peaks (7.12, 4.34, 60.45 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.77: QE PHE 93 + HA PHE 93 OK 77 77 100 100 4.0-4.8 2.2/5884=98, 5.6=80...(6) Violated in 0 structures by 0.00 A. 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 65 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 10828 from cnoeabs.peaks (7.10, 0.93, 22.96 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 79 + QD2 LEU 127 OK 100 100 100 100 4.8-6.0 10830/2.1=93, ~4666=89...(10) Violated in 0 structures by 0.00 A. Peak 10829 from cnoeabs.peaks (6.97, 0.93, 22.96 ppm; 5.62 A): 0 out of 1 assignment used, quality = 0.00: QD TYR 102 - QD2 LEU 127 far 0 73 0 - 9.1-11.0 Violated in 20 structures by 4.60 A. Peak 10830 from cnoeabs.peaks (7.10, 1.01, 25.52 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 79 + QD1 LEU 127 OK 98 98 100 100 2.9-4.8 2.2/4666=74, ~4664=49...(13) Violated in 4 structures by 0.04 A. Peak 10831 from cnoeabs.peaks (7.00, 1.01, 25.52 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.87: HZ PHE 79 + QD1 LEU 127 OK 87 87 100 100 2.1-5.0 4666=75, 2.2/10830=71...(15) QD TYR 102 - QD1 LEU 127 far 0 65 0 - 7.5-8.9 HZ PHE 120 - QD1 LEU 127 far 0 70 0 - 9.4-12.1 Violated in 4 structures by 0.05 A. Peak 10832 from cnoeabs.peaks (6.71, 1.01, 25.52 ppm; 5.52 A): 1 out of 3 assignments used, quality = 0.89: QD PHE 79 + QD1 LEU 127 OK 89 90 100 100 4.6-6.3 2.2/10830=96...(8) QE TYR 76 - QD1 LEU 127 far 0 98 0 - 7.3-9.5 QE TYR 102 - QD1 LEU 127 far 0 97 0 - 8.4-10.5 Violated in 15 structures by 0.24 A. Peak 10835 from cnoeabs.peaks (2.80, 6.59, 117.91 ppm; 5.88 A): 1 out of 1 assignment used, quality = 0.81: HB3 GLN 25 + QE TYR 27 OK 81 81 100 100 2.5-7.0 ~4571=92, 11440/2.2=81...(11) Violated in 1 structures by 0.05 A. Peak 10836 from cnoeabs.peaks (2.63, 6.59, 117.91 ppm; 5.66 A): 2 out of 2 assignments used, quality = 1.00: HG3 MET 121 + QE TYR 27 OK 95 95 100 100 2.3-5.5 1.8/4590=94...(9) HE2 LYS 53 + QE TYR 27 OK 94 95 100 100 2.1-5.4 3.0/4593=83, 3.6/9226=66...(6) Violated in 0 structures by 0.00 A. Peak 10837 from cnoeabs.peaks (1.92, 6.59, 117.91 ppm; 5.52 A): 1 out of 5 assignments used, quality = 0.93: HG2 MET 121 + QE TYR 27 OK 93 94 100 99 2.0-4.6 3.4/10582=60, 10577=55...(11) HB3 LYS 123 - QE TYR 27 far 0 90 0 - 8.0-9.6 HB2 LEU 127 - QE TYR 27 far 0 79 0 - 8.3-9.7 HB2 LYS 123 - QE TYR 27 far 0 76 0 - 8.5-10.0 HB2 LEU 81 - QE TYR 27 far 0 95 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 10838 from cnoeabs.peaks (2.01, 6.79, 132.82 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.66: HB2 GLN 25 + QD TYR 27 OK 66 66 100 100 2.0-5.3 1.8/11440=97, ~4579=90...(12) HG3 GLU 128 - QD TYR 27 far 13 83 15 - 6.6-10.7 HG2 GLU 128 - QD TYR 27 far 4 83 5 - 7.7-10.7 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (0.64, 6.79, 132.82 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.98: QG1 VAL 22 + QD TYR 27 OK 85 85 100 100 3.0-5.2 10868/2.5=94...(22) QD1 ILE 54 + QD TYR 27 OK 76 79 100 95 4.9-7.6 9237/4.5=76...(4) QD1 LEU 4 + QD TYR 27 OK 42 89 90 53 4.7-8.1 330/9508=22...(5) QD1 ILE 56 - QD TYR 27 lone 1 56 90 2 5.7-8.0 QD1 ILE 71 - QD TYR 27 far 0 77 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 10841 from cnoeabs.peaks (1.44, 6.86, 132.15 ppm; 5.58 A): 3 out of 9 assignments used, quality = 1.00: HB2 LEU 4 + QD TYR 76 OK 95 95 100 100 3.8-5.0 3.1/9037=94, 3.1/9039=89...(24) HB3 LEU 4 + QD TYR 76 OK 95 95 100 100 5.1-6.0 3.1/9037=94, 3.1/9039=89...(24) HG LEU 4 + QD TYR 76 OK 86 86 100 100 2.8-5.7 2.1/9037=100...(23) HG12 ILE 56 - QD TYR 76 far 7 75 10 - 7.0-9.2 HG2 LYS 49 - QD TYR 76 far 0 64 0 - 8.0-13.4 HG3 LYS 44 - QD TYR 76 far 0 96 0 - 8.3-11.6 HG3 LYS 49 - QD TYR 76 far 0 64 0 - 9.5-14.0 HG3 ARG 30 - QD TYR 76 far 0 84 0 - 10.0-13.2 HB3 LEU 6 - QD TYR 76 far 0 64 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10842 from cnoeabs.peaks (0.81, 6.86, 132.15 ppm; 4.82 A): 3 out of 3 assignments used, quality = 1.00: QG2 ILE 71 + QD TYR 76 OK 95 95 100 100 1.7-4.2 9798=87, 9786/2.5=76...(17) QD1 LEU 74 + QD TYR 76 OK 95 95 100 100 2.4-4.5 9818/2.2=83, 2.1/4610=79...(17) QD2 LEU 74 + QD TYR 76 OK 92 92 100 100 3.5-5.2 2.1/4610=79, ~9818=58...(15) Violated in 0 structures by 0.00 A. Peak 10843 from cnoeabs.peaks (0.66, 6.86, 132.15 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 71 + QD TYR 76 OK 97 97 100 100 3.8-5.6 3.3/9798=69, 4.2/4572=55...(22) QD1 LEU 4 + QD TYR 76 OK 78 78 100 100 1.9-3.5 2.1/9039=87, 9037=78...(20) QD1 ILE 56 - QD TYR 76 far 0 93 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 10846 from cnoeabs.peaks (0.81, 7.14, 130.60 ppm; 5.39 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 64 + QE PHE 93 OK 96 96 100 100 1.9-3.9 2.1/9693=97, 9692=62...(20) QD2 LEU 82 + QE PHE 93 OK 64 64 100 100 1.8-5.1 ~11398=71, 2.1/11604=58...(15) QD1 LEU 81 - QE PHE 93 far 0 64 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 10848 from cnoeabs.peaks (8.04, 0.64, 20.11 ppm; 3.99 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 22 + QG1 VAL 22 OK 100 100 100 100 2.0-2.9 4.0=98, 10849/2.1=73...(10) H ARG 118 + QG1 VAL 22 OK 23 90 80 32 4.2-6.2 746/11117=15...(4) H GLN 122 - QG1 VAL 22 far 0 70 0 - 6.2-9.1 H GLY 26 - QG1 VAL 22 far 0 70 0 - 6.7-8.6 H THR 9 - QG1 VAL 22 far 0 97 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 10849 from cnoeabs.peaks (8.04, 0.85, 19.94 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.97: H VAL 22 + QG2 VAL 22 OK 97 100 100 97 1.9-2.3 4.0=93, 10848/2.1=56...(4) H GLY 26 - QG2 VAL 22 far 0 65 0 - 5.6-7.7 H ARG 118 - QG2 VAL 22 far 0 87 0 - 6.3-8.7 H GLN 122 - QG2 VAL 22 far 0 73 0 - 8.8-11.3 H THR 9 - QG2 VAL 22 far 0 98 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 10850 from cnoeabs.peaks (6.78, 0.64, 20.11 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 27 + QG1 VAL 22 OK 96 96 100 100 3.0-5.2 2.5/10868=89...(22) QD PHE 120 + QG1 VAL 22 OK 66 92 95 76 5.1-7.4 2.4/10563=32...(13) Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (6.57, 0.64, 20.11 ppm; 6.18 A): 1 out of 1 assignment used, quality = 0.87: QE TYR 27 + QG1 VAL 22 OK 87 87 100 100 3.8-6.2 4.4/10868=78...(16) Violated in 1 structures by 0.00 A. Peak 10852 from cnoeabs.peaks (6.78, 0.85, 19.94 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 27 + QG2 VAL 22 OK 96 96 100 100 2.6-5.4 2.5/10860=96...(21) QD PHE 120 - QG2 VAL 22 far 5 92 5 - 6.9-9.7 Violated in 0 structures by 0.00 A. Peak 10853 from cnoeabs.peaks (7.55, 4.13, 62.80 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.71: HE21 GLN 25 + HA VAL 22 OK 71 84 85 99 3.1-7.0 4.4/11450=69...(6) Violated in 12 structures by 0.60 A. Peak 10855 from cnoeabs.peaks (3.94, 0.64, 20.11 ppm; 6.05 A): 2 out of 2 assignments used, quality = 0.84: HA GLU 21 + QG1 VAL 22 OK 65 65 100 99 4.6-4.9 2.9/11314=81...(9) HA MET 121 + QG1 VAL 22 OK 55 81 95 71 4.9-7.6 5.4/10602=54...(3) Violated in 0 structures by 0.00 A. Peak 10856 from cnoeabs.peaks (3.67, 0.64, 20.11 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.87: HA LYS 19 + QG1 VAL 22 OK 87 87 100 100 3.4-4.6 10859/2.1=100, ~10871=41...(7) Violated in 0 structures by 0.00 A. Peak 10857 from cnoeabs.peaks (3.36, 0.64, 20.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.76: HA ILE 18 + QG1 VAL 22 OK 76 77 100 98 3.1-4.3 3.0/10865=46...(16) Violated in 0 structures by 0.00 A. Peak 10858 from cnoeabs.peaks (2.65, 0.64, 20.11 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.92: * HB2 TYR 27 + QG1 VAL 22 OK 92 92 100 100 3.8-5.3 1.8/10868=80...(15) Violated in 1 structures by 0.03 A. Peak 10859 from cnoeabs.peaks (3.67, 0.85, 19.94 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.75: HA LYS 19 + QG2 VAL 22 OK 75 87 100 86 2.3-2.6 9198=50, 3.0/10871=25...(10) Violated in 0 structures by 0.00 A. Peak 10860 from cnoeabs.peaks (2.66, 0.85, 19.94 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 27 + QG2 VAL 22 OK 100 100 100 100 3.1-4.2 9212/2.1=55, 9214/2.1=50...(16) Violated in 4 structures by 0.02 A. Peak 10861 from cnoeabs.peaks (1.82, 4.13, 62.80 ppm; 4.20 A): 1 out of 7 assignments used, quality = 0.92: QE MET 121 + HA VAL 22 OK 92 99 95 98 2.3-6.6 10586=55, 10602/3.2=49...(13) HG12 ILE 5 - HA VAL 22 far 0 65 0 - 6.7-9.4 HB ILE 18 - HA VAL 22 far 0 99 0 - 7.7-8.4 HB3 LYS 19 - HA VAL 22 far 0 94 0 - 8.5-8.7 HB2 LYS 77 - HB2 SER 72 far 0 47 0 - 9.1-11.1 HB ILE 97 - HB2 SER 72 far 0 50 0 - 9.4-10.7 HB3 LYS 77 - HB2 SER 72 far 0 54 0 - 9.4-11.8 Violated in 3 structures by 0.12 A. Peak 10862 from cnoeabs.peaks (2.36, 4.13, 62.80 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.94: HB3 TYR 27 + HA VAL 22 OK 94 94 100 100 4.4-6.3 2.5/11116=67...(18) HG3 GLN 100 - HB2 SER 72 lone 6 66 55 17 4.2-7.6 3.5/10968=16 HG3 GLN 100 - HB3 SER 72 lone 3 66 35 12 4.7-8.0 3.5/10968=11 Violated in 11 structures by 0.46 A. Peak 10863 from cnoeabs.peaks (2.51, 4.13, 62.80 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.93: HG3 GLN 25 + HA VAL 22 OK 93 98 95 100 1.9-6.7 3.0/11450=93...(6) HG3 GLN 122 - HA VAL 22 far 0 94 0 - 8.0-10.0 Violated in 7 structures by 0.26 A. Peak 10864 from cnoeabs.peaks (2.82, 4.13, 62.80 ppm; 5.75 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 25 + HA VAL 22 OK 100 100 100 100 3.8-5.5 1.8/11450=100...(8) HE2 LYS 77 - HB2 SER 72 far 0 77 0 - 8.9-14.4 Violated in 0 structures by 0.00 A. Peak 10865 from cnoeabs.peaks (1.82, 0.64, 20.11 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.97: QE MET 121 + QG1 VAL 22 OK 88 99 95 93 1.9-6.3 10602=66, 10861/3.2=46...(15) HB ILE 18 + QG1 VAL 22 OK 74 99 100 75 4.0-5.2 2.1/11117=26...(11) HG12 ILE 5 - QG1 VAL 22 poor 20 65 30 - 4.1-6.6 HB3 LYS 19 - QG1 VAL 22 far 0 94 0 - 5.7-6.7 HB ILE 57 - QG1 VAL 22 far 0 100 0 - 6.9-8.9 HB2 LEU 14 - QG1 VAL 22 far 0 100 0 - 7.3-9.9 HB ILE 3 - QG1 VAL 22 far 0 61 0 - 8.3-10.8 Violated in 4 structures by 0.09 A. Peak 10866 from cnoeabs.peaks (1.32, 0.64, 20.11 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.99: HB3 LEU 55 + QG1 VAL 22 OK 99 100 100 100 3.7-5.0 9503/2.1=62, ~11246=47...(14) Violated in 1 structures by 0.00 A. Peak 10867 from cnoeabs.peaks (2.10, 0.64, 20.11 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.96: HG3 GLU 21 + QG1 VAL 22 OK 73 97 100 76 3.7-5.5 3.0/3165=31...(8) HG2 GLU 21 + QG1 VAL 22 OK 71 94 100 75 2.4-5.6 3.0/3165=31...(8) HB2 GLU 21 + QG1 VAL 22 OK 53 61 100 86 2.7-3.8 1.8/3165=37...(7) HB3 GLU 119 - QG1 VAL 22 far 0 70 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 10868 from cnoeabs.peaks (2.36, 0.64, 20.11 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.81: * HB3 TYR 27 + QG1 VAL 22 OK 81 81 100 100 3.7-5.2 1.8/10858=78, ~10860=65...(17) HB3 PHE 120 - QG1 VAL 22 far 4 77 5 - 5.0-8.7 Violated in 6 structures by 0.06 A. Peak 10869 from cnoeabs.peaks (2.55, 0.85, 19.94 ppm; 4.51 A): 0 out of 0 assignments used, quality = 0.00: Peak 10870 from cnoeabs.peaks (2.34, 0.85, 19.94 ppm; 4.01 A): 0 out of 1 assignment used, quality = 0.00: HB3 PHE 120 - QG2 VAL 22 far 0 100 0 - 7.2-11.2 Violated in 20 structures by 5.35 A. Peak 10871 from cnoeabs.peaks (1.80, 0.85, 19.94 ppm; 4.09 A): 2 out of 5 assignments used, quality = 0.86: HB2 LYS 19 + QG2 VAL 22 OK 70 77 100 91 4.0-4.4 3.0/10859=71, ~10856=24...(8) HB ILE 18 + QG2 VAL 22 OK 54 65 100 82 4.1-5.4 2.1/11118=28...(9) HG12 ILE 5 - QG2 VAL 22 far 5 99 5 - 5.2-8.4 HB2 ARG 118 - QG2 VAL 22 far 0 99 0 - 7.1-9.6 HB ILE 3 - QG2 VAL 22 far 0 100 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 10872 from cnoeabs.peaks (1.58, 0.85, 19.94 ppm; 4.61 A): 4 out of 4 assignments used, quality = 0.98: HG LEU 55 + QG2 VAL 22 OK 73 73 100 99 1.9-5.5 3.0/10874=65...(11) HG3 LYS 19 + QG2 VAL 22 OK 72 81 100 89 4.1-5.1 3.8/10859=71...(4) HD2 LYS 19 + QG2 VAL 22 OK 48 87 75 73 4.6-6.2 5.4/10859=47...(5) HD3 LYS 19 + QG2 VAL 22 OK 41 87 65 73 3.6-6.3 5.4/10859=47...(4) Violated in 0 structures by 0.00 A. Peak 10874 from cnoeabs.peaks (1.30, 0.85, 19.94 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.72: HB3 LEU 55 + QG2 VAL 22 OK 72 73 100 98 3.1-5.1 3.1/11118=55, ~11246=40...(12) Violated in 2 structures by 0.03 A. Peak 10875 from cnoeabs.peaks (2.67, 1.98, 29.83 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 27 + HB VAL 22 OK 99 99 100 100 2.3-4.3 10860/2.1=87...(16) Violated in 0 structures by 0.00 A. Peak 10877 from cnoeabs.peaks (0.96, 2.43, 30.98 ppm; 4.80 A): 0 out of 2 assignments used, quality = 0.00: HD3 LYS 2 - HG2 MET 1 far 15 100 15 - 5.2-9.7 QD1 ILE 3 - HG2 MET 1 far 10 96 10 - 4.7-9.4 Violated in 18 structures by 1.83 A. Peak 10878 from cnoeabs.peaks (0.96, 2.60, 30.98 ppm; 4.78 A): 0 out of 2 assignments used, quality = 0.00: HD3 LYS 2 - HG3 MET 1 far 15 100 15 - 4.7-9.7 QD1 ILE 3 - HG3 MET 1 far 14 96 15 - 5.1-9.6 Violated in 19 structures by 1.66 A. Peak 10879 from cnoeabs.peaks (7.11, 2.01, 36.01 ppm; 5.11 A): 0 out of 4 assignments used, quality = 0.00: QE PHE 79 - HG2 GLU 128 far 9 94 10 - 6.3-9.9 QE PHE 79 - HG3 GLU 128 far 9 94 10 - 6.6-9.6 QD PHE 51 - HG2 GLU 128 far 7 65 10 - 5.5-11.8 QD PHE 51 - HG3 GLU 128 far 7 65 10 - 6.3-10.9 Violated in 20 structures by 1.04 A. Peak 10880 from cnoeabs.peaks (6.97, 2.01, 36.01 ppm; 5.26 A): 0 out of 0 assignments used, quality = 0.00: Peak 10881 from cnoeabs.peaks (4.02, 2.01, 36.01 ppm; 4.92 A): 0 out of 8 assignments used, quality = 0.00: HB3 SER 126 - HG3 GLU 128 poor 19 97 20 - 6.0-9.4 HB2 SER 126 - HG3 GLU 128 far 15 100 15 - 5.7-9.5 HB2 SER 126 - HG2 GLU 128 far 10 100 10 - 5.9-10.1 HB3 SER 126 - HG2 GLU 128 far 5 97 5 - 6.2-9.6 HA LYS 123 - HG3 GLU 128 far 0 100 0 - 7.4-11.3 HA LYS 123 - HG2 GLU 128 far 0 100 0 - 7.8-11.8 HA PHE 120 - HG3 GLU 128 far 0 100 0 - 9.2-13.2 HA PHE 120 - HG2 GLU 128 far 0 100 0 - 9.8-13.4 Violated in 18 structures by 1.12 A. Peak 10882 from cnoeabs.peaks (7.56, 2.97, 38.17 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.99: HE21 GLN 25 + HB3 ASN 24 OK 91 100 100 91 2.7-5.0 10887=42, 10887/1.8=35...(7) HE21 GLN 25 + HB2 ASN 24 OK 85 100 95 89 2.7-6.0 10887=41, 10887/1.8=35...(7) Violated in 1 structures by 0.00 A. Peak 10883 from cnoeabs.peaks (8.02, 2.97, 38.17 ppm; 4.64 A): 0 out of 4 assignments used, quality = 0.00: H GLY 26 - HB3 ASN 24 poor 14 99 60 23 4.2-7.1 9210/10882=23 H GLY 26 - HB2 ASN 24 poor 13 99 60 22 4.9-8.1 9210/10882=21 H ARG 118 - HB2 ASN 24 far 0 90 0 - 8.5-14.4 H ARG 118 - HB3 ASN 24 far 0 90 0 - 9.3-13.8 Violated in 13 structures by 0.64 A. Peak 10884 from cnoeabs.peaks (2.51, 2.97, 38.17 ppm; 5.34 A): 2 out of 4 assignments used, quality = 0.95: HG3 GLN 25 + HB3 ASN 24 OK 83 94 100 88 4.4-6.8 1.8/10885=49...(4) HG3 GLN 25 + HB2 ASN 24 OK 72 94 90 85 4.7-7.1 1.8/10885=44, ~10885=39...(4) HG3 GLN 122 - HB2 ASN 24 far 0 87 0 - 7.7-14.8 HG3 GLN 122 - HB3 ASN 24 far 0 87 0 - 7.9-13.4 Violated in 3 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (2.38, 2.97, 38.17 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.93: HG2 GLN 25 + HB3 ASN 24 OK 76 100 100 76 2.7-6.0 1.8/10884=34...(4) HG2 GLN 25 + HB2 ASN 24 OK 69 100 95 73 3.1-6.3 3.5/10882=31...(4) HB3 TYR 27 - HB2 ASN 24 far 0 96 0 - 7.1-10.3 HB3 TYR 27 - HB3 ASN 24 far 0 96 0 - 7.9-10.7 Violated in 2 structures by 0.00 A. Peak 10886 from cnoeabs.peaks (2.05, 2.97, 38.17 ppm; 5.35 A): 0 out of 2 assignments used, quality = 0.00: HB VAL 117 - HB2 ASN 24 far 0 99 0 - 8.9-13.6 HB VAL 117 - HB3 ASN 24 far 0 99 0 - 9.6-13.6 Violated in 20 structures by 4.18 A. Peak 10889 from cnoeabs.peaks (6.71, 2.21, 29.21 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 102 + HB2 GLN 100 OK 100 100 100 100 2.0-3.7 4620/1.8=95, ~4687=67...(6) QE TYR 102 - HB2 GLU 69 lone 5 84 65 8 4.7-6.6 10185=4, 10197/9780=3 Violated in 0 structures by 0.00 A. Peak 10890 from cnoeabs.peaks (6.71, 2.05, 29.21 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: QE TYR 102 + HB3 GLN 100 OK 100 100 100 100 1.8-3.5 4619/1.8=99, 4620=99...(6) QE TYR 102 - HB3 GLU 98 poor 18 72 25 - 6.4-9.1 QE TYR 102 - HB2 GLU 66 far 0 89 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 10891 from cnoeabs.peaks (6.97, 2.05, 29.21 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.87: QD TYR 102 + HB3 GLN 100 OK 87 87 100 100 2.2-4.6 2.2/4620=89, 4686/1.8=76...(9) QD TYR 102 - HB3 GLU 98 poor 14 56 25 - 5.6-7.5 Violated in 0 structures by 0.00 A. Peak 10892 from cnoeabs.peaks (6.98, 2.21, 29.21 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 102 + HB2 GLN 100 OK 100 100 100 100 2.2-4.2 4687/1.8=100...(8) QD TYR 102 - HB2 GLU 69 far 4 84 5 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 10893 from cnoeabs.peaks (3.96, 2.44, 34.18 ppm; 5.12 A): 0 out of 0 assignments used, quality = 0.00: Peak 10894 from cnoeabs.peaks (3.96, 2.35, 34.18 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.68: HA ILE 97 + HG3 GLN 100 OK 68 70 100 98 2.0-5.6 10164/3.5=71...(8) HA MET 67 - HG3 GLN 100 far 0 97 0 - 9.6-12.5 Violated in 1 structures by 0.00 A. Peak 10896 from cnoeabs.peaks (5.27, 1.86, 32.95 ppm; 5.76 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 81 + HB2 ARG 105 OK 100 100 100 100 2.6-5.4 10685/1694=94...(8) HA GLN 83 - HB2 ARG 105 lone 6 97 40 17 6.6-9.0 10473/11415=15 Violated in 0 structures by 0.00 A. Peak 10897 from cnoeabs.peaks (1.83, 2.12, 35.23 ppm; 3.72 A): 0 out of 10 assignments used, quality = 0.00: QE MET 121 - HG2 GLU 21 far 4 77 5 - 4.8-11.3 QE MET 121 - HG3 GLU 21 far 3 68 5 - 5.2-10.9 HB ILE 18 - HG3 GLU 21 far 0 52 0 - 5.2-8.0 HB3 ARG 105 - HB VAL 107 far 0 65 0 - 5.7-7.3 HB ILE 18 - HG2 GLU 21 far 0 60 0 - 6.0-8.2 HB3 LYS 19 - HG2 GLU 21 far 0 79 0 - 6.8-9.4 HB3 LYS 19 - HG3 GLU 21 far 0 70 0 - 7.4-9.4 HB2 LEU 14 - HG3 GLU 21 far 0 57 0 - 8.4-11.9 HB2 LEU 14 - HG2 GLU 21 far 0 65 0 - 8.9-11.2 HB2 LEU 14 - HB VAL 107 far 0 90 0 - 9.1-10.9 Violated in 20 structures by 1.27 A. Peak 10898 from cnoeabs.peaks (1.40, 0.87, 20.76 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.84: QB ALA 113 + QG2 VAL 107 OK 84 87 100 96 2.0-3.1 2.1/10307=54, ~10314=28...(30) HG3 LYS 106 - QG2 VAL 107 far 0 99 0 - 5.2-7.6 HB3 LEU 114 - QG2 VAL 107 far 0 100 0 - 6.3-7.9 Violated in 1 structures by 0.00 A. Peak 10899 from cnoeabs.peaks (1.41, 0.76, 21.72 ppm; 3.22 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 113 + QG1 VAL 107 OK 97 99 100 97 1.7-2.2 2.1/10314=54...(27) HB3 GLN 83 + QG1 VAL 107 OK 94 98 100 96 1.9-2.7 3.0/6552=25...(24) HG3 LYS 106 - QG1 VAL 107 far 0 87 0 - 5.3-7.1 HB3 LEU 114 - QG1 VAL 107 far 0 70 0 - 6.8-8.0 HG3 LYS 17 - QG1 VAL 107 far 0 77 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 10901 from cnoeabs.peaks (2.72, 2.08, 29.19 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.98: HB3 ASP 109 + HB3 GLU 112 OK 87 87 100 100 2.0-6.2 10402/4.0=71...(15) HB3 ASP 109 + HB2 GLU 112 OK 86 87 100 100 2.0-4.7 10402/4.0=71...(15) HB2 ASP 60 - HB3 GLU 66 far 0 46 0 - 6.8-9.0 HG3 GLU 37 - HB3 GLU 66 far 0 66 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 10902 from cnoeabs.peaks (2.82, 2.08, 29.19 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 109 + HB3 GLU 112 OK 99 99 100 99 2.0-6.0 10403/4.0=60...(13) HB2 ASP 109 + HB2 GLU 112 OK 98 99 100 99 1.9-4.7 10403/4.0=60...(13) Violated in 0 structures by 0.00 A. Peak 10903 from cnoeabs.peaks (2.82, 2.34, 36.01 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.94: HB2 ASP 109 + HG2 GLU 112 OK 79 97 85 96 1.9-7.2 10403/4.9=42...(11) HB2 ASP 109 + HG3 GLU 112 OK 70 97 75 97 2.0-6.7 10403/4.9=42...(11) HE2 LYS 77 - HG3 GLU 103 far 6 39 15 - 5.2-10.1 Violated in 7 structures by 0.34 A. Peak 10904 from cnoeabs.peaks (2.71, 2.34, 36.01 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.90: HB3 ASP 109 + HG3 GLU 112 OK 75 77 100 98 1.9-6.2 10402/4.9=54...(11) HB3 ASP 109 + HG2 GLU 112 OK 60 77 80 98 3.0-6.7 10402/4.9=54...(11) Violated in 7 structures by 0.14 A. Peak 10905 from cnoeabs.peaks (2.10, 0.97, 28.89 ppm; 6.20 A): 5 out of 13 assignments used, quality = 1.00: HB VAL 107 + HG13 ILE 116 OK 73 73 100 100 2.1-5.0 ~11417=94, ~11185=68...(11) HB2 GLU 112 + HG13 ILE 116 OK 73 73 100 99 4.9-7.0 ~11339=39, ~10497=37...(12) HB3 GLU 112 + HG13 ILE 116 OK 69 70 100 99 3.4-6.5 ~11339=39, ~10497=37...(12) HB2 GLU 119 + HG13 ILE 116 OK 68 70 100 98 5.3-7.2 ~11200=67, 11201/2.1=40...(8) HB3 GLU 119 + HG13 ILE 116 OK 39 81 50 98 6.5-8.5 ~11200=67, ~11201=48...(8) HG3 GLN 83 - HG13 ILE 116 poor 8 70 45 26 5.9-10.5 ~10486=21, ~10497=5 HB2 GLU 111 - HG13 ILE 116 far 5 100 5 - 7.6-10.9 HG2 GLU 52 - HD3 LYS 2 lone 0 78 30 2 5.6-10.5 HG3 GLU 21 - HG13 ILE 116 far 0 99 0 - 8.3-11.8 HB2 GLU 21 - HG13 ILE 116 far 0 73 0 - 9.2-13.1 HB3 GLU 47 - HD3 LYS 2 far 0 67 0 - 9.6-14.9 HG2 GLU 21 - HG13 ILE 116 far 0 98 0 - 9.9-13.5 HB2 GLU 103 - HG13 ILE 116 far 0 84 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (2.10, 1.58, 28.89 ppm; 4.86 A): 4 out of 10 assignments used, quality = 0.98: HB VAL 107 + HG12 ILE 116 OK 73 73 100 100 2.4-4.6 ~11417=71...(12) HB2 GLU 112 + HG12 ILE 116 OK 70 73 100 95 4.2-6.2 10498/2.1=30...(12) HB3 GLU 112 + HG12 ILE 116 OK 67 70 100 96 2.7-5.8 10498/2.1=33...(12) HB2 GLU 119 + HG12 ILE 116 OK 22 70 35 91 5.7-7.4 ~11200=42, 11201/2.1=34...(9) HG3 GLN 83 - HG12 ILE 116 poor 14 70 20 - 5.7-9.5 HB3 GLU 119 - HG12 ILE 116 far 0 81 0 - 7.0-8.7 HB2 GLU 111 - HG12 ILE 116 far 0 100 0 - 7.9-10.3 HG3 GLU 21 - HG12 ILE 116 far 0 99 0 - 8.8-12.0 HG2 GLU 21 - HG12 ILE 116 far 0 98 0 - 9.4-13.1 HB2 GLU 21 - HG12 ILE 116 far 0 73 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 10907 from cnoeabs.peaks (2.33, 1.58, 28.89 ppm; 5.37 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLU 112 + HG12 ILE 116 OK 94 100 100 94 2.9-6.1 11339/2.1=46, ~11339=38...(9) HG3 GLU 112 + HG12 ILE 116 OK 94 100 100 94 2.6-6.5 11339/2.1=48, ~11339=36...(10) HG2 GLN 83 - HG12 ILE 116 far 5 100 5 - 6.8-10.2 HB3 PHE 120 - HG12 ILE 116 far 0 96 0 - 8.9-10.6 HG3 GLU 103 - HG12 ILE 116 far 0 87 0 - 9.5-13.8 Violated in 0 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (2.62, 3.89, 60.17 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: HG3 MET 121 + HA ARG 118 OK 99 99 100 100 1.9-5.3 3.4/11516=100...(5) HE2 LYS 53 - HA ARG 118 far 0 96 0 - 9.7-15.5 Violated in 0 structures by 0.00 A. Peak 10909 from cnoeabs.peaks (0.74, 2.06, 28.71 ppm; 4.52 A): 0 out of 2 assignments used, quality = 0.00: HG13 ILE 18 - HB2 GLU 13 far 0 90 0 - 8.1-10.1 QG2 ILE 7 - HB2 GLU 13 far 0 99 0 - 8.7-9.9 Violated in 20 structures by 3.61 A. Peak 10910 from cnoeabs.peaks (2.42, 0.86, 22.48 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASP 110 + QD1 LEU 14 OK 100 100 100 100 2.8-3.9 10377=92, 1.8/11419=73...(15) HG3 GLN 85 - QD1 LEU 14 far 0 84 0 - 7.9-12.3 HG2 GLN 85 - QD1 LEU 14 far 0 90 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 10911 from cnoeabs.peaks (2.69, 0.86, 22.48 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.94: HB3 ASP 110 + QD1 LEU 14 OK 94 94 100 100 4.0-4.9 11419=91, 1.8/10910=90...(14) HE2 LYS 19 - QD1 LEU 14 far 0 94 0 - 6.7-10.8 HE3 LYS 19 - QD1 LEU 14 far 0 94 0 - 7.2-10.1 Violated in 4 structures by 0.05 A. Peak 10912 from cnoeabs.peaks (4.26, 1.73, 30.33 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.84: HA ASP 12 + HG12 ILE 15 OK 84 84 100 100 2.2-2.7 9178/3.2=87...(10) Violated in 0 structures by 0.00 A. Peak 10913 from cnoeabs.peaks (1.60, 0.85, 17.08 ppm; 3.28 A): 3 out of 11 assignments used, quality = 0.95: HD2 LYS 19 + QG2 ILE 15 OK 68 96 100 71 1.9-3.1 10786=24, 3.0/9180=22...(8) HD3 LYS 19 + QG2 ILE 15 OK 65 96 100 68 2.2-4.4 10786=24, 3.0/9180=22...(8) HG3 LYS 19 + QG2 ILE 15 OK 58 98 100 60 2.4-4.4 4.0/9180=17, 4.0/9180=17...(8) HD3 LYS 19 - QG2 ILE 5 far 0 88 0 - 7.4-12.3 HG LEU 68 - QG2 ILE 5 far 0 72 0 - 7.5-8.6 HD2 LYS 19 - QG2 ILE 5 far 0 88 0 - 7.6-12.1 HG12 ILE 116 - QG2 ILE 5 far 0 58 0 - 7.7-9.3 HG LEU 82 - QG2 ILE 5 far 0 93 0 - 7.9-10.0 HG3 LYS 19 - QG2 ILE 5 far 0 91 0 - 8.1-11.0 HB2 LEU 82 - QG2 ILE 5 far 0 54 0 - 8.2-9.9 HB3 LEU 127 - QG2 ILE 5 far 0 81 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 10914 from cnoeabs.peaks (0.67, 1.92, 33.06 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 114 + HB3 LYS 17 OK 100 100 100 100 2.0-4.9 10915/1.8=65...(16) QD1 LEU 55 - HB3 LYS 17 far 0 77 0 - 8.8-10.9 QD1 ILE 116 - HB3 LYS 17 far 0 90 0 - 9.7-11.6 Violated in 1 structures by 0.03 A. Peak 10915 from cnoeabs.peaks (0.66, 1.99, 33.06 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 114 + HB2 LYS 17 OK 96 96 100 100 1.9-4.4 10914/1.8=79...(15) QD1 ILE 116 - HB2 LYS 17 far 0 65 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 10917 from cnoeabs.peaks (0.68, 1.75, 25.82 ppm; 5.21 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 114 + HG2 LYS 17 OK 99 99 100 100 2.3-4.9 10914/3.0=80...(14) QD1 LEU 55 - HG2 LYS 17 far 0 94 0 - 9.3-12.4 QD1 ILE 116 - HG2 LYS 17 far 0 99 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 10918 from cnoeabs.peaks (0.66, 1.43, 25.82 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 114 + HG3 LYS 17 OK 94 96 100 99 2.2-5.0 10919/3.0=57...(12) QD1 ILE 116 - HG3 LYS 17 far 0 65 0 - 10.0-13.0 Violated in 9 structures by 0.18 A. Peak 10919 from cnoeabs.peaks (0.67, 1.68, 29.70 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 114 + HD2 LYS 17 OK 98 99 100 100 2.0-4.7 10918/3.0=65...(12) QD1 ILE 116 - HD2 LYS 17 far 0 77 0 - 9.4-12.0 Violated in 2 structures by 0.02 A. Peak 10920 from cnoeabs.peaks (0.65, 1.52, 29.70 ppm; 5.19 A): 1 out of 3 assignments used, quality = 0.69: QD2 LEU 114 + HD3 LYS 17 OK 69 70 100 100 1.8-5.6 10918/3.0=75...(13) QG1 VAL 22 - HD3 LYS 17 far 0 77 0 - 6.8-10.2 HG13 ILE 15 - HD3 LYS 17 far 0 70 0 - 8.3-9.8 Violated in 2 structures by 0.03 A. Peak 10921 from cnoeabs.peaks (3.70, 0.61, 13.41 ppm; 6.14 A): 1 out of 2 assignments used, quality = 0.87: HA LEU 114 + QD1 ILE 18 OK 87 87 100 100 2.3-3.7 10515/10524=81, 11126=80...(13) HA LEU 114 - QD1 ILE 5 far 0 62 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 10923 from cnoeabs.peaks (1.58, 0.90, 21.87 ppm; 4.00 A): 4 out of 10 assignments used, quality = 0.98: HD3 LYS 19 + QG2 VAL 29 OK 67 70 100 97 1.8-5.1 ~10926=35, ~10784=34...(12) HD2 LYS 19 + QG2 VAL 29 OK 67 70 100 97 3.0-5.3 ~10926=35, ~10784=34...(12) HG3 LYS 19 + QG2 VAL 29 OK 61 61 100 99 2.3-3.9 3.8/9247=50, ~10926=49...(13) HG LEU 55 + QG2 VAL 29 OK 58 90 75 87 2.8-6.1 3.0/9502=60...(7) HD3 LYS 106 - QG2 VAL 104 far 4 42 10 - 4.8-8.9 HD2 LYS 106 - QG2 VAL 104 far 4 40 10 - 4.1-8.7 HG3 LYS 96 - QG2 VAL 104 far 0 58 0 - 5.8-8.6 HG LEU 68 - QG2 VAL 104 far 0 51 0 - 6.5-7.8 HG12 ILE 116 - QG2 VAL 104 far 0 58 0 - 7.4-11.2 HG2 LYS 115 - QG2 VAL 104 far 0 40 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 10924 from cnoeabs.peaks (1.58, 0.80, 21.46 ppm; 3.47 A): 4 out of 4 assignments used, quality = 0.96: HD2 LYS 19 + QG1 VAL 29 OK 65 70 100 94 1.9-4.5 3.0/10926=46...(11) HD3 LYS 19 + QG1 VAL 29 OK 65 70 100 94 1.9-4.6 3.0/10926=46...(11) HG3 LYS 19 + QG1 VAL 29 OK 60 61 100 97 1.9-3.6 1.8/10926=58...(12) HG LEU 55 + QG1 VAL 29 OK 24 90 45 60 2.7-7.0 ~9502=26, ~9513=16...(6) Violated in 0 structures by 0.00 A. Peak 10926 from cnoeabs.peaks (1.09, 0.80, 21.46 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.99: HG2 LYS 19 + QG1 VAL 29 OK 99 100 100 99 1.8-2.4 10784=54, 3.0/11030=44...(13) QG2 ILE 3 - QG1 VAL 29 far 0 65 0 - 8.5-11.4 HG2 LYS 53 - QG1 VAL 29 far 0 96 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 10927 from cnoeabs.peaks (0.66, 1.50, 26.70 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.94: QD1 ILE 56 + HG2 ARG 30 OK 94 100 95 99 1.9-6.4 9550/2.8=78, 9259/2.8=58...(9) QD2 LEU 4 - HG2 ARG 30 lone 2 77 40 7 4.6-7.3 2400/11330=4, 9257/2.8=2 QD1 ILE 71 - HG2 ARG 30 far 0 94 0 - 7.8-10.3 Violated in 1 structures by 0.09 A. Peak 10928 from cnoeabs.peaks (1.89, 0.76, 21.14 ppm; 3.57 A): 1 out of 9 assignments used, quality = 0.75: QE MET 67 + QG2 VAL 32 OK 75 84 100 89 2.3-3.7 9724/2.1=62...(11) HB3 LYS 44 - QG2 VAL 32 far 0 84 0 - 7.1-8.5 HB2 LYS 44 - QG2 VAL 32 far 0 65 0 - 7.1-8.8 HG LEU 45 - QG2 VAL 32 far 0 90 0 - 7.7-9.1 HB2 LYS 43 - QG2 VAL 32 far 0 81 0 - 7.7-8.8 HB ILE 7 - QG2 VAL 32 far 0 100 0 - 8.5-9.5 HB3 LYS 43 - QG2 VAL 32 far 0 96 0 - 9.2-10.3 HB ILE 71 - QG2 VAL 32 far 0 100 0 - 9.4-11.4 HB2 LEU 45 - QG2 VAL 32 far 0 90 0 - 9.6-10.9 Violated in 1 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (1.89, 0.87, 21.73 ppm; 3.39 A): 2 out of 6 assignments used, quality = 0.97: QE MET 67 + QG1 VAL 32 OK 93 97 100 96 2.4-4.2 9724=62, 10928/2.1=59...(10) HB2 LEU 63 + QG1 VAL 32 OK 53 73 100 72 3.6-4.6 3.0/10931=38...(8) HB3 LYS 44 - QG1 VAL 32 far 0 61 0 - 8.6-10.4 HG LEU 45 - QG1 VAL 32 far 0 99 0 - 9.3-10.8 HB ILE 7 - QG1 VAL 32 far 0 99 0 - 9.4-10.4 HB ILE 71 - QG1 VAL 32 far 0 94 0 - 9.8-12.1 Violated in 2 structures by 0.01 A. Peak 10930 from cnoeabs.peaks (1.46, 0.87, 21.73 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.97: HB3 LEU 38 + QG1 VAL 32 OK 97 100 100 97 2.1-2.7 1.8/11525=56...(11) HG2 LYS 39 - QG1 VAL 32 far 0 100 0 - 5.4-8.5 HG3 ARG 30 - QG1 VAL 32 far 0 97 0 - 6.1-9.4 HG12 ILE 57 - QG1 VAL 32 far 0 100 0 - 6.6-9.0 HB3 LEU 6 - QG1 VAL 32 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (1.61, 0.87, 21.73 ppm; 4.34 A): 1 out of 3 assignments used, quality = 0.90: HG LEU 63 + QG1 VAL 32 OK 90 99 100 91 3.6-4.4 11254=48, ~11488=32...(8) HB3 LEU 64 - QG1 VAL 32 far 0 81 0 - 6.7-7.9 HG3 LYS 40 - QG1 VAL 32 far 0 99 0 - 7.0-8.7 Violated in 1 structures by 0.00 A. Peak 10932 from cnoeabs.peaks (2.41, 1.52, 27.18 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.61: HG3 MET 67 + HG LEU 38 OK 61 61 100 100 3.8-6.8 ~10991=94, 3.0/11231=82...(12) HG3 GLN 62 - HG LEU 38 poor 18 100 40 44 7.4-11.2 11406/2.1=25, ~11406=17...(4) HG2 GLN 62 - HG LEU 38 far 5 100 5 - 7.4-11.1 Violated in 4 structures by 0.06 A. Peak 10933 from cnoeabs.peaks (4.53, 1.70, 25.42 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.97: HA ASP 36 + HG3 LYS 39 OK 97 97 100 100 1.9-4.7 2035/3598=71...(12) Violated in 0 structures by 0.00 A. Peak 10934 from cnoeabs.peaks (4.52, 1.46, 25.42 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 36 + HG2 LYS 39 OK 100 100 100 100 1.8-4.9 10933/1.8=95...(13) Violated in 0 structures by 0.00 A. Peak 10935 from cnoeabs.peaks (4.11, 1.70, 25.42 ppm; 4.33 A): 0 out of 0 assignments used, quality = 0.00: Peak 10936 from cnoeabs.peaks (4.52, 1.71, 29.31 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: HA ASP 36 + HD2 LYS 39 OK 99 100 100 100 1.9-6.3 10933/3.0=60...(11) HA ASP 36 + HD3 LYS 39 OK 89 100 90 100 1.9-6.7 10933/3.0=60...(11) HA ASP 36 - HD2 LYS 44 far 0 82 0 - 8.3-13.4 HA ASP 36 - HD3 LYS 44 far 0 85 0 - 8.5-13.1 Violated in 5 structures by 0.12 A. Peak 10937 from cnoeabs.peaks (4.24, 1.71, 29.31 ppm; 4.16 A): 0 out of 14 assignments used, quality = 0.00: HA GLU 41 - HD2 LYS 44 poor 20 44 65 69 4.3-5.9 9397/2.9=19, 9396=19...(7) HA GLU 41 - HD3 LYS 44 poor 16 47 50 69 2.7-6.0 9396/1.8=20, 9397/2.9=19...(7) HA GLU 47 - HD3 LYS 44 far 0 82 0 - 6.5-9.8 HA GLU 47 - HD2 LYS 44 far 0 78 0 - 6.5-10.1 HA ALA 46 - HD3 LYS 44 far 0 79 0 - 6.9-10.9 HA ALA 46 - HD2 LYS 44 far 0 75 0 - 6.9-10.7 HA GLU 41 - HD2 LYS 39 far 0 61 0 - 7.7-10.4 HA GLU 41 - HD3 LYS 39 far 0 61 0 - 8.4-10.4 HA VAL 32 - HD3 LYS 44 far 0 84 0 - 9.2-13.4 HA GLU 52 - HD2 LYS 44 far 0 60 0 - 9.3-16.7 HA VAL 32 - HD2 LYS 44 far 0 81 0 - 9.5-13.2 HA GLU 52 - HD3 LYS 44 far 0 63 0 - 9.6-16.1 HA VAL 32 - HD2 LYS 39 far 0 99 0 - 9.8-12.3 HA VAL 32 - HD3 LYS 39 far 0 99 0 - 10.0-13.1 Violated in 19 structures by 0.38 A. Peak 10938 from cnoeabs.peaks (0.72, 1.65, 39.53 ppm; 3.59 A): 2 out of 10 assignments used, quality = 0.89: QD2 LEU 55 + HB ILE 5 OK 71 77 100 93 1.7-5.0 2.1/10939=69...(12) QG1 VAL 117 + HB ILE 5 OK 62 100 100 62 3.3-4.5 10510/2.9=17, ~10943=17...(13) QG2 ILE 18 - HB ILE 5 far 5 100 5 - 5.0-6.1 QD1 ILE 57 - HB ILE 5 far 4 81 5 - 5.0-7.6 QG2 VAL 78 - HB ILE 5 far 0 99 0 - 5.2-6.7 QD1 LEU 6 - HB ILE 5 far 0 98 0 - 5.8-6.5 QD2 LEU 6 - HB ILE 5 far 0 81 0 - 5.8-6.4 QD2 LEU 81 - HB ILE 5 far 0 77 0 - 5.8-7.1 HG13 ILE 18 - HB ILE 5 far 0 96 0 - 6.7-9.3 QD2 LEU 45 - HB ILE 5 far 0 99 0 - 9.5-10.8 Violated in 4 structures by 0.02 A. Peak 10939 from cnoeabs.peaks (0.68, 1.65, 39.53 ppm; 3.56 A): 1 out of 6 assignments used, quality = 0.88: QD1 LEU 55 + HB ILE 5 OK 88 99 100 89 1.8-3.8 2.1/10938=36...(11) QG2 ILE 56 - HB ILE 5 far 4 77 5 - 4.2-7.3 QD1 ILE 56 - HB ILE 5 far 0 65 0 - 5.5-7.1 QD2 LEU 4 - HB ILE 5 far 0 100 0 - 5.6-7.4 QD2 LEU 114 - HB ILE 5 far 0 94 0 - 8.3-11.6 QG2 ILE 97 - HB ILE 5 far 0 100 0 - 10.0-11.1 Violated in 1 structures by 0.01 A. Peak 10940 from cnoeabs.peaks (1.50, 0.62, 13.41 ppm; 3.63 A): 3 out of 18 assignments used, quality = 0.99: QB ALA 124 + QD1 ILE 5 OK 94 100 100 94 2.5-4.1 10620=61, 4646/9055=23...(10) HB3 LEU 14 + QD1 ILE 18 OK 72 74 100 98 2.3-4.6 3.1/11652=61...(13) HG2 ARG 30 + QD1 ILE 54 OK 53 72 100 74 2.4-3.8 3.0/9264=25, 3.9/9495=19...(7) HB3 ARG 30 - QD1 ILE 54 poor 20 66 50 60 3.4-5.7 3.0/9495=23, 3.6/9264=22...(5) HB3 LEU 45 - QD1 ILE 54 far 4 44 10 - 4.4-7.1 HD3 LYS 17 - QD1 ILE 18 far 3 59 5 - 4.6-7.4 HB2 LEU 6 - QD1 ILE 5 far 0 99 0 - 5.6-7.2 HG2 LYS 20 - QD1 ILE 18 far 0 78 0 - 7.3-9.3 HG LEU 6 - QD1 ILE 5 far 0 73 0 - 7.8-9.0 HG2 ARG 30 - QD1 ILE 5 far 0 97 0 - 8.4-11.6 QB ALA 124 - QD1 ILE 54 far 0 78 0 - 8.5-11.0 HB3 ARG 30 - QD1 ILE 5 far 0 92 0 - 8.6-10.4 HB2 LEU 6 - QD1 ILE 18 far 0 76 0 - 8.7-9.4 HG LEU 6 - QD1 ILE 18 far 0 50 0 - 9.0-9.7 HB3 ARG 30 - QD1 ILE 18 far 0 66 0 - 9.4-10.9 HB2 LEU 6 - QD1 ILE 54 far 0 76 0 - 9.6-11.2 HG2 LYS 43 - QD1 ILE 54 far 0 69 0 - 9.8-12.0 QB ALA 124 - QD1 ILE 18 far 0 78 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10941 from cnoeabs.peaks (1.25, 0.84, 17.12 ppm; 4.50 A): 1 out of 5 assignments used, quality = 0.90: HG13 ILE 7 + QG2 ILE 5 OK 90 100 100 90 2.1-4.0 ~9075=39, 1.8/10942=37...(9) HG13 ILE 7 - QG2 ILE 15 far 0 95 0 - 6.3-9.2 HD3 LYS 53 - QG2 ILE 5 far 0 81 0 - 7.3-10.7 HD2 LYS 2 - QG2 ILE 5 far 0 97 0 - 9.0-12.9 HG12 ILE 54 - QG2 ILE 5 far 0 99 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 10942 from cnoeabs.peaks (1.45, 0.84, 17.12 ppm; 3.72 A): 3 out of 16 assignments used, quality = 0.94: HG12 ILE 7 + QG2 ILE 5 OK 71 84 100 85 2.7-4.1 1.8/10941=53...(9) HB3 LEU 6 + QG2 ILE 5 OK 57 87 100 65 4.5-5.0 3.9/18=48, 4.6/10672=14...(8) HG12 ILE 57 + QG2 ILE 15 OK 53 72 85 86 3.6-5.5 ~9556=38, ~9559=25...(12) HG12 ILE 57 - QG2 ILE 5 far 0 81 0 - 5.3-8.8 HB3 LEU 4 - QG2 ILE 5 far 0 94 0 - 5.6-6.1 HG12 ILE 7 - QG2 ILE 15 far 0 75 0 - 5.8-8.9 HB2 LEU 4 - QG2 ILE 5 far 0 94 0 - 5.8-6.7 HG12 ILE 56 - QG2 ILE 5 far 0 61 0 - 6.2-8.1 HG LEU 80 - QG2 ILE 5 far 0 99 0 - 6.3-7.9 HG3 LYS 17 - QG2 ILE 15 far 0 62 0 - 6.9-8.5 HG LEU 4 - QG2 ILE 5 far 0 99 0 - 7.0-7.6 HG3 ARG 30 - QG2 ILE 15 far 0 91 0 - 7.6-10.2 HG3 ARG 30 - QG2 ILE 5 far 0 98 0 - 8.2-11.7 HG12 ILE 56 - QG2 ILE 15 far 0 54 0 - 9.2-10.8 HB3 LEU 6 - QG2 ILE 15 far 0 78 0 - 9.5-11.5 HB3 LEU 38 - QG2 ILE 15 far 0 69 0 - 10.0-11.7 Violated in 1 structures by 0.01 A. Peak 10943 from cnoeabs.peaks (2.06, 0.84, 17.12 ppm; 4.61 A): 2 out of 7 assignments used, quality = 0.91: HB VAL 117 + QG2 ILE 5 OK 77 94 100 82 4.1-5.4 ~10938=29, ~10511=22...(12) HB3 PHE 79 + QG2 ILE 5 OK 61 61 100 100 2.1-4.5 2.4/9050=62, ~10740=52...(29) HB2 GLU 13 - QG2 ILE 15 far 0 88 0 - 7.7-8.1 HB2 GLN 28 - QG2 ILE 5 far 0 98 0 - 8.2-10.7 HB VAL 117 - QG2 ILE 15 far 0 86 0 - 8.7-10.7 HB3 MET 67 - QG2 ILE 5 far 0 97 0 - 9.1-10.5 HB2 GLN 28 - QG2 ILE 15 far 0 91 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 10944 from cnoeabs.peaks (2.37, 1.76, 45.20 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: HB3 TYR 27 + HB2 LEU 55 OK 98 98 100 100 2.5-4.9 ~4583=89, 2.5/9515=87...(9) HG2 GLN 25 - HB2 LEU 55 far 0 70 0 - 8.6-11.6 Violated in 0 structures by 0.00 A. Peak 10945 from cnoeabs.peaks (2.37, 1.32, 45.20 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: HB3 TYR 27 + HB3 LEU 55 OK 98 98 100 100 1.9-4.0 2.5/4583=98...(11) HG2 GLN 25 - HB3 LEU 55 far 0 70 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. Peak 10946 from cnoeabs.peaks (1.87, 0.69, 17.09 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.95: QE MET 67 + QG2 ILE 56 OK 89 98 100 91 1.8-4.7 9726/4473=74...(11) QE MET 42 + QG2 ILE 56 OK 50 96 100 53 2.3-4.7 11532/3.2=30...(4) HB ILE 7 - QG2 ILE 56 far 0 65 0 - 5.2-6.1 HB2 LEU 63 - QG2 ILE 56 far 0 100 0 - 5.9-8.4 HG LEU 45 - QG2 ILE 56 far 0 96 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 10947 from cnoeabs.peaks (1.52, 0.69, 17.09 ppm; 3.91 A): 3 out of 6 assignments used, quality = 0.97: HB3 ARG 30 + QG2 ILE 56 OK 85 94 95 95 3.1-5.5 9550/4473=66, ~9259=30...(11) HG LEU 6 + QG2 ILE 56 OK 63 100 100 63 4.1-5.2 10948/2.1=32, ~11706=15...(7) HB2 LEU 6 + QG2 ILE 56 OK 47 77 85 72 3.6-5.7 ~9536=29, ~10950=27...(9) HG LEU 38 - QG2 ILE 56 far 0 100 0 - 5.5-8.2 QB ALA 124 - QG2 ILE 56 far 0 61 0 - 7.4-11.0 HG2 LYS 43 - QG2 ILE 56 far 0 92 0 - 8.8-10.8 Violated in 1 structures by 0.01 A. Peak 10948 from cnoeabs.peaks (1.53, 1.69, 39.82 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.91: HG LEU 6 + HB ILE 56 OK 79 94 95 88 4.6-7.4 3.6/9536=51...(9) HB3 ARG 30 + HB ILE 56 OK 59 77 80 96 3.1-6.5 9550/3.2=64, ~9259=36...(9) HG LEU 38 - HB ILE 56 far 0 96 0 - 8.3-9.8 Violated in 19 structures by 0.24 A. Peak 10949 from cnoeabs.peaks (1.87, 0.96, 27.65 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.99: QE MET 67 + HG13 ILE 56 OK 93 94 100 99 3.5-4.4 9726/2.1=91...(12) QE MET 42 + HG13 ILE 56 OK 90 99 100 91 1.8-5.8 9547/2.1=47, 11532=35...(12) HG LEU 45 - HG13 ILE 56 far 13 90 15 - 6.1-9.7 HB2 LEU 63 - HG13 ILE 56 far 0 100 0 - 7.8-10.5 Violated in 0 structures by 0.00 A. Peak 10950 from cnoeabs.peaks (1.68, 5.35, 53.00 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.86: HB ILE 56 + HA LEU 6 OK 86 87 100 99 2.7-5.6 9536=81, 11344/23=64...(5) HG12 ILE 71 - HA LEU 6 far 0 70 0 - 6.5-8.5 HB ILE 54 - HA LEU 6 far 0 99 0 - 8.7-9.6 Violated in 1 structures by 0.03 A. Peak 10951 from cnoeabs.peaks (1.90, 5.35, 53.00 ppm; 5.50 A): 2 out of 3 assignments used, quality = 0.98: HB ILE 7 + HA LEU 6 OK 98 99 100 99 4.4-4.8 1051/23=92, 3.2/11340=44...(8) QE MET 67 + HA LEU 6 OK 23 73 100 32 4.3-6.5 9725/3.9=20, ~9716=14 HB ILE 71 - HA LEU 6 far 0 100 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (0.77, 1.51, 44.53 ppm; 3.73 A): 3 out of 7 assignments used, quality = 0.90: QD1 LEU 80 + HB2 LEU 6 OK 63 98 85 76 3.6-6.4 5506/1.8=27, 9940/3.9=24...(10) QD1 ILE 7 + HB2 LEU 6 OK 50 100 70 72 4.6-6.3 1055/4.6=36...(7) QD2 LEU 64 + HB2 LEU 6 OK 48 81 75 79 3.5-7.1 ~11611=32, ~11537=32...(11) QD2 LEU 80 - HB2 LEU 6 poor 20 97 30 67 3.1-7.0 3.9/10670=23, ~5506=16...(8) QD1 LEU 82 - HB2 LEU 6 far 0 94 0 - 7.1-9.3 QD1 LEU 45 - HB2 LEU 6 far 0 77 0 - 7.7-9.4 QG2 VAL 32 - HB2 LEU 6 far 0 98 0 - 8.4-9.5 Violated in 5 structures by 0.12 A. Peak 10954 from cnoeabs.peaks (0.77, 1.46, 44.53 ppm; 3.51 A): 4 out of 9 assignments used, quality = 0.96: QD1 LEU 80 + HB3 LEU 6 OK 69 94 90 82 2.3-5.2 3.9/10671=24...(13) QD1 ILE 7 + HB3 LEU 6 OK 66 100 80 82 4.4-6.0 1055/4.6=31, 2525=25...(12) QD2 LEU 64 + HB3 LEU 6 OK 49 70 95 74 2.5-6.6 ~11537=27, ~11611=27...(11) QD2 LEU 80 + HB3 LEU 6 OK 33 92 50 71 1.9-5.9 3.9/10671=24...(12) QD1 LEU 82 - HB3 LEU 6 far 0 87 0 - 5.7-7.9 QG2 VAL 32 - HB3 LEU 6 far 0 100 0 - 9.0-10.0 QD1 LEU 45 - HB3 LEU 6 far 0 87 0 - 9.2-10.7 QG1 VAL 107 - HB3 LEU 6 far 0 100 0 - 9.4-11.1 QD1 ILE 15 - HB3 LEU 6 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 10957 from cnoeabs.peaks (8.20, 0.71, 22.93 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.97: H LEU 38 + QD2 LEU 63 OK 97 97 100 100 3.1-4.0 10986/2.1=92...(14) Violated in 0 structures by 0.00 A. Peak 10958 from cnoeabs.peaks (7.82, 0.71, 22.93 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.98: H LYS 39 + QD2 LEU 63 OK 97 97 100 100 4.3-5.0 217/10987=67...(10) H GLU 66 + QD2 LEU 63 OK 53 61 100 86 4.6-5.6 2092/4714=39...(9) Violated in 0 structures by 0.00 A. Peak 10959 from cnoeabs.peaks (7.83, 0.74, 25.21 ppm; 5.64 A): 3 out of 7 assignments used, quality = 1.00: H LYS 39 + QD1 LEU 63 OK 99 100 100 99 5.1-7.0 1883/10986=85...(8) H VAL 78 + QD2 LEU 6 OK 39 84 85 55 6.0-7.8 1518/5417=20...(5) HE21 GLN 62 + QD1 LEU 63 OK 38 65 85 69 4.7-7.6 6.6/9665=35...(3) H VAL 78 - QD1 LEU 45 far 0 36 0 - 7.8-9.6 H LYS 39 - QD2 LEU 6 far 0 84 0 - 8.7-9.5 H LYS 39 - QD1 LEU 45 far 0 36 0 - 8.7-10.7 H ILE 97 - QD2 LEU 6 far 0 83 0 - 9.6-11.0 Violated in 1 structures by 0.00 A. Peak 10960 from cnoeabs.peaks (7.83, 1.87, 40.89 ppm; 6.11 A): 0 out of 1 assignment used, quality = 0.00: H LYS 39 - HB2 LEU 63 far 0 100 0 - 8.2-9.6 Violated in 20 structures by 2.64 A. Peak 10961 from cnoeabs.peaks (0.72, 3.91, 57.78 ppm; 4.29 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 6 + HA LEU 64 OK 98 100 100 99 2.2-3.5 11564/8120=48...(15) QD2 LEU 63 + HA LEU 64 OK 91 94 100 97 5.1-5.7 ~390=42, ~387=31...(18) QD2 LEU 6 + HA LEU 64 OK 66 70 100 95 2.4-3.7 11611/3.7=42...(14) QG2 VAL 78 - HA LEU 64 far 0 97 0 - 7.7-8.5 QD2 LEU 55 - HA LEU 64 far 0 65 0 - 8.3-10.9 QD1 ILE 57 - HA LEU 64 far 0 90 0 - 8.4-9.8 QG2 VAL 78 - HA GLU 128 far 0 83 0 - 8.4-12.0 QD2 LEU 81 - HA LEU 64 far 0 87 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 10962 from cnoeabs.peaks (2.40, 3.91, 57.78 ppm; 5.78 A): 2 out of 4 assignments used, quality = 1.00: HG3 MET 67 + HA LEU 64 OK 100 100 100 100 2.1-4.9 3.0/8120=97, 3.0/8118=92...(14) HG2 GLU 66 + HA LEU 64 OK 28 99 30 92 6.3-8.5 5.0/2097=71...(6) HG3 GLN 62 - HA LEU 64 far 3 70 5 - 7.3-9.9 HG2 GLN 62 - HA LEU 64 far 3 65 5 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 10963 from cnoeabs.peaks (1.44, 3.91, 57.78 ppm; 5.70 A): 3 out of 12 assignments used, quality = 0.94: HB3 LEU 63 + HA LEU 64 OK 69 70 100 100 3.8-4.2 387/2.9=67, ~390=57...(13) HB3 LEU 6 + HA LEU 64 OK 69 77 100 89 5.2-6.3 3.1/10961=35, ~10965=32...(7) HB3 LEU 38 + HA LEU 64 OK 42 65 100 64 5.6-6.5 3.1/3552=33, ~11001=30...(5) HG LEU 80 - HA LEU 64 far 15 100 15 - 7.1-9.3 HG12 ILE 56 - HA LEU 64 far 4 73 5 - 5.9-8.7 HB3 LYS 61 - HA LEU 64 far 0 90 0 - 7.6-8.7 HG LEU 4 - HA GLU 128 far 0 81 0 - 8.3-14.7 HG12 ILE 57 - HA LEU 64 far 0 70 0 - 8.8-9.7 HB3 LEU 4 - HA LEU 64 far 0 98 0 - 8.9-10.5 HB2 LEU 4 - HA LEU 64 far 0 98 0 - 9.2-11.3 HG12 ILE 7 - HA LEU 64 far 0 73 0 - 9.7-10.9 HB2 LEU 4 - HA GLU 128 far 0 85 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 10964 from cnoeabs.peaks (0.72, 1.79, 41.35 ppm; 4.41 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 6 + HB2 LEU 64 OK 99 100 100 99 1.9-4.0 ~11611=50, 10965/1.8=47...(17) QD2 LEU 6 + HB2 LEU 64 OK 67 70 100 97 2.5-5.5 11611/3.0=51, ~11537=46...(13) QD2 LEU 63 - HB2 LEU 64 far 0 94 0 - 6.2-6.8 QG2 VAL 78 - HB2 LEU 64 far 0 97 0 - 7.8-9.8 QD1 ILE 57 - HB2 LEU 64 far 0 90 0 - 8.1-10.6 QD2 LEU 81 - HB2 LEU 64 far 0 87 0 - 8.1-9.5 QD2 LEU 55 - HB2 LEU 64 far 0 65 0 - 8.3-11.9 QG1 VAL 117 - HB2 LEU 64 far 0 100 0 - 9.2-10.9 QG2 ILE 18 - HB2 LEU 64 far 0 100 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (0.72, 1.63, 41.35 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 6 + HB3 LEU 64 OK 98 100 100 98 2.7-4.4 ~11611=49, 10964/1.8=46...(17) QD2 LEU 6 + HB3 LEU 64 OK 66 70 100 94 3.8-5.9 11611/3.0=50, ~11537=45...(11) QD2 LEU 63 - HB3 LEU 64 far 0 94 0 - 6.0-6.6 QD2 LEU 81 - HB3 LEU 64 far 0 87 0 - 8.5-9.9 QD1 ILE 57 - HB3 LEU 64 far 0 90 0 - 8.7-10.8 QG2 VAL 78 - HB3 LEU 64 far 0 97 0 - 9.2-10.3 QD2 LEU 55 - HB3 LEU 64 far 0 65 0 - 9.6-12.0 QG1 VAL 117 - HB3 LEU 64 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 10967 from cnoeabs.peaks (0.79, 0.38, 23.07 ppm; 3.31 A): 3 out of 5 assignments used, quality = 0.98: QD2 LEU 64 + QD2 LEU 68 OK 92 99 95 98 2.9-5.2 2.1/11073=49...(19) QD1 LEU 80 + QD2 LEU 68 OK 67 84 90 89 1.9-5.6 9925/2.1=36, ~9922=31...(15) QD2 LEU 80 + QD2 LEU 68 OK 38 87 50 87 1.8-5.3 9922/2.1=43, ~9925=29...(15) QD1 LEU 82 - QD2 LEU 68 far 0 92 0 - 5.8-7.4 QD1 LEU 81 - QD2 LEU 68 far 0 100 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 10968 from cnoeabs.peaks (6.74, 4.12, 62.78 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: HE22 GLN 100 - HB2 SER 72 lone 3 77 80 5 3.1-8.7 3.5/10862=3 HE22 GLN 100 - HB3 SER 72 lone 2 77 85 3 2.0-8.9 3.5/10862=2 Violated in 7 structures by 0.27 A. Peak 10969 from cnoeabs.peaks (1.95, 1.29, 45.67 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.80: HB VAL 104 + HB3 LEU 80 OK 80 100 80 100 3.3-6.6 2.1/11088=91, 10225=85...(22) HB2 LYS 65 - HB3 LEU 80 far 0 81 0 - 8.0-11.8 HB3 LYS 65 - HB3 LEU 80 far 0 77 0 - 8.9-11.2 Violated in 12 structures by 0.70 A. Peak 10970 from cnoeabs.peaks (1.74, 5.27, 53.06 ppm; 5.38 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 82 + HA LEU 81 OK 94 97 100 97 4.9-5.7 1544/511=92...(7) HB2 LEU 80 + HA LEU 81 OK 92 92 100 100 4.4-5.8 ~506=68, ~504=60...(18) HG3 ARG 105 + HA LEU 81 OK 89 94 95 99 3.9-7.2 4.9/10685=74...(6) HB3 LYS 94 - HA LEU 81 far 0 96 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 10971 from cnoeabs.peaks (1.83, 5.27, 53.06 ppm; 5.17 A): 1 out of 6 assignments used, quality = 0.92: HB3 ARG 105 + HA LEU 81 OK 92 92 100 100 2.6-4.7 11633/5538=92...(7) HB ILE 97 - HA LEU 81 far 0 65 0 - 7.7-8.8 QE MET 121 - HA LEU 81 far 0 99 0 - 7.9-12.6 HG12 ILE 5 - HA LEU 81 far 0 61 0 - 8.4-11.3 HB2 LEU 14 - HA LEU 81 far 0 100 0 - 9.0-11.0 HB ILE 18 - HA LEU 81 far 0 99 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10972 from cnoeabs.peaks (1.61, 5.27, 53.06 ppm; 5.78 A): 2 out of 2 assignments used, quality = 0.97: HB2 LEU 82 + HA LEU 81 OK 85 87 100 97 4.3-5.7 4.0/511=95, 1.8/10970=31...(6) HG LEU 82 + HA LEU 81 OK 84 90 100 93 3.7-5.8 1545/511=88...(6) Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (0.90, 1.60, 26.76 ppm; 3.31 A): 2 out of 2 assignments used, quality = 0.48: QG2 VAL 104 + HG LEU 82 OK 33 61 95 57 2.7-5.3 ~10231=16, 9968/1545=13...(9) QD1 LEU 90 + HG LEU 82 OK 22 100 45 49 3.8-7.6 ~9967=11, ~9965=8...(10) Violated in 12 structures by 0.37 A. Peak 10974 from cnoeabs.peaks (1.25, 2.29, 36.01 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.71: QG2 THR 108 + HG2 GLU 87 OK 53 100 60 88 4.1-10.0 10326=56, 11410/4.0=41...(4) QG2 THR 108 + HG3 GLU 87 OK 39 100 45 87 5.0-9.5 10326/1.8=46, 10326=44...(5) QG2 THR 108 - HG2 GLU 111 far 0 90 0 - 7.6-11.5 Violated in 13 structures by 1.05 A. Peak 10975 from cnoeabs.peaks (1.81, 0.86, 19.21 ppm; 4.92 A): 2 out of 8 assignments used, quality = 0.91: HB2 LEU 14 + QG2 THR 9 OK 73 73 100 100 1.9-2.8 3.0/10756=63...(19) HB ILE 18 + QG2 THR 9 OK 66 81 100 81 4.1-5.4 7985/11097=40...(9) HB ILE 57 - QG2 THR 9 lone 9 73 95 13 3.8-6.7 3.0/4500=12 HB2 LEU 64 - QG2 THR 9 far 0 65 0 - 6.7-8.4 HB2 LYS 19 - QG2 THR 9 far 0 61 0 - 8.1-9.3 HG2 ARG 105 - QG2 THR 9 far 0 100 0 - 9.3-12.6 HB3 ARG 105 - QG2 THR 9 far 0 94 0 - 9.4-11.8 HG12 ILE 5 - QG2 THR 9 far 0 100 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 10976 from cnoeabs.peaks (8.19, 0.88, 24.74 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.86: H ASP 84 + QD2 LEU 90 OK 86 87 100 99 2.1-2.7 2.9/10026=71...(12) Violated in 0 structures by 0.00 A. Peak 10977 from cnoeabs.peaks (0.90, 2.07, 32.47 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 90 + HB2 LYS 94 OK 88 100 90 98 2.6-7.3 10101/3.0=81...(14) QG2 VAL 104 + HB2 LYS 94 OK 72 73 100 99 3.5-5.5 ~10236=50, 10979/1.8=43...(15) QD2 LEU 90 + HB2 LYS 94 OK 53 65 90 90 4.5-6.5 ~10101=53, 4.6/1600=26...(13) Violated in 0 structures by 0.00 A. Peak 10978 from cnoeabs.peaks (0.78, 2.07, 32.47 ppm; 4.83 A): 2 out of 6 assignments used, quality = 0.97: QD1 LEU 82 + HB2 LYS 94 OK 95 100 95 100 3.0-6.5 11394/3.0=75...(9) QD2 LEU 80 + HB2 LYS 94 OK 47 100 70 67 5.2-9.8 10102/3.0=23...(7) QD1 LEU 80 - HB2 LYS 94 far 5 100 5 - 6.2-8.6 QG1 VAL 107 - HB2 LYS 94 far 0 77 0 - 7.3-10.2 QD2 LEU 64 - HB2 LYS 94 far 0 99 0 - 8.2-11.1 QD1 LEU 81 - HB2 LYS 94 far 0 90 0 - 9.2-11.2 Violated in 2 structures by 0.05 A. Peak 10979 from cnoeabs.peaks (0.89, 1.74, 32.47 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.97: QG2 VAL 104 + HB3 LYS 94 OK 92 94 100 98 3.2-5.3 ~10236=47, 11509/3.0=46...(14) QD1 LEU 90 + HB3 LYS 94 OK 43 92 50 94 3.0-7.2 10101/3.0=58...(15) QD2 LEU 90 + HB3 LYS 94 OK 31 90 40 87 4.5-6.9 ~10101=50, ~10977=22...(13) Violated in 2 structures by 0.02 A. Peak 10980 from cnoeabs.peaks (0.78, 1.74, 32.47 ppm; 4.31 A): 2 out of 6 assignments used, quality = 0.95: QD1 LEU 82 + HB3 LYS 94 OK 93 100 95 98 2.7-6.7 10100/1620=64...(9) QD2 LEU 80 + HB3 LYS 94 OK 23 100 35 66 4.3-9.5 11091/10979=29...(7) QD1 LEU 80 - HB3 LYS 94 far 5 100 5 - 5.5-8.7 QG1 VAL 107 - HB3 LYS 94 far 0 77 0 - 6.9-11.1 QD2 LEU 64 - HB3 LYS 94 far 0 99 0 - 7.5-11.2 QD1 LEU 81 - HB3 LYS 94 far 0 90 0 - 8.4-11.7 Violated in 15 structures by 0.47 A. Peak 10981 from cnoeabs.peaks (0.92, 1.34, 24.91 ppm; 4.01 A): 0 out of 5 assignments used, quality = 0.00: HG13 ILE 97 - HG3 LYS 65 poor 18 94 45 42 2.9-8.5 ~10129=21, 10143/4676=14...(4) QD1 LEU 70 - HG3 LYS 65 far 0 92 0 - 6.7-9.5 QD1 LEU 90 - HG3 LYS 65 far 0 84 0 - 8.5-15.3 QG1 VAL 104 - HG3 LYS 65 far 0 84 0 - 8.6-11.6 QD2 LEU 70 - HG3 LYS 65 far 0 84 0 - 9.1-11.6 Violated in 17 structures by 1.46 A. Peak 10982 from cnoeabs.peaks (0.91, 1.54, 30.10 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.89: QD1 LEU 90 + HD3 LYS 94 OK 71 100 90 80 3.5-7.6 10101/4.7=49...(11) QD1 LEU 90 + HD2 LYS 94 OK 60 100 75 80 2.9-8.0 10101/4.7=49...(12) HG13 ILE 97 - HD2 LYS 94 far 0 61 0 - 6.1-11.2 HG13 ILE 97 - HD3 LYS 94 far 0 61 0 - 7.4-11.3 Violated in 7 structures by 0.34 A. Peak 10984 from cnoeabs.peaks (4.02, 0.85, 17.08 ppm; 5.72 A): 2 out of 4 assignments used, quality = 0.99: HA PHE 120 + QG2 ILE 5 OK 95 95 100 100 4.5-6.0 4558/4707=98...(19) HA GLU 13 + QG2 ILE 15 OK 73 100 100 73 6.2-6.7 1983/78=60, ~10766=21...(4) HA GLU 119 - QG2 ILE 5 poor 17 94 25 73 7.1-8.2 3.6/10551=47...(4) HA LYS 123 - QG2 ILE 5 far 0 95 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 10985 from cnoeabs.peaks (0.72, 2.11, 41.07 ppm; 4.96 A): 2 out of 6 assignments used, quality = 0.93: QD2 LEU 63 + HB2 LEU 38 OK 81 81 100 100 1.8-2.5 10988/3.1=94...(19) QD1 LEU 63 + HB2 LEU 38 OK 65 65 100 100 2.4-4.5 2.1/9684=70, ~10988=62...(17) QD2 LEU 6 - HB2 LEU 38 far 0 87 0 - 7.2-8.1 QD1 LEU 6 - HB2 LEU 38 far 0 96 0 - 7.7-9.3 QD1 ILE 57 - HB2 LEU 38 far 0 73 0 - 9.4-11.7 QD2 LEU 45 - HB2 LEU 38 far 0 100 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 10987 from cnoeabs.peaks (0.71, 0.96, 25.76 ppm; 3.37 A): 1 out of 5 assignments used, quality = 0.97: QD2 LEU 63 + QD1 LEU 38 OK 97 98 100 99 1.8-2.7 10988/2.1=70...(25) QD1 LEU 6 - QD1 LEU 38 far 5 100 5 - 4.8-6.4 QD2 LEU 45 - QD1 LEU 38 far 0 92 0 - 7.7-9.1 QG2 VAL 78 - QD1 LEU 38 far 0 92 0 - 7.7-8.5 QD1 ILE 57 - QD1 LEU 38 far 0 96 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 10988 from cnoeabs.peaks (0.72, 0.89, 25.56 ppm; 3.06 A): 1 out of 6 assignments used, quality = 0.85: QD2 LEU 63 + QD2 LEU 38 OK 85 87 100 98 1.8-3.0 10987/2.1=53...(24) QD2 LEU 6 - QD2 LEU 38 far 0 81 0 - 6.6-7.3 QD1 LEU 6 - QD2 LEU 38 far 0 98 0 - 7.1-8.5 QD2 LEU 45 - QD2 LEU 38 far 0 99 0 - 8.5-9.9 QG2 VAL 78 - QD2 LEU 38 far 0 99 0 - 9.3-10.2 QD1 ILE 57 - QD2 LEU 38 far 0 81 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10989 from cnoeabs.peaks (2.18, 0.96, 25.76 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.96: HG3 GLU 66 + QD1 LEU 38 OK 96 97 100 99 1.9-3.8 9385/2.1=76, ~11064=47...(11) HB2 MET 42 - QD1 LEU 38 far 4 90 5 - 4.9-6.4 HB2 GLN 62 - QD1 LEU 38 far 0 84 0 - 5.3-6.9 HB3 GLN 62 - QD1 LEU 38 far 0 84 0 - 6.0-7.4 HB3 GLU 37 - QD1 LEU 38 far 0 99 0 - 6.1-7.5 Violated in 2 structures by 0.00 A. Peak 10990 from cnoeabs.peaks (2.40, 0.96, 25.76 ppm; 4.03 A): 3 out of 4 assignments used, quality = 1.00: HG3 MET 67 + QD1 LEU 38 OK 99 100 100 99 2.8-4.5 1.8/10991=82...(16) HG2 GLU 66 + QD1 LEU 38 OK 97 97 100 100 2.1-4.4 1.8/10989=83...(12) HG3 GLN 62 + QD1 LEU 38 OK 24 81 90 32 4.4-7.6 11406/2.1=12...(5) HG2 GLN 62 - QD1 LEU 38 poor 9 77 35 33 4.5-7.4 ~11406=10, 7052/11253=9...(5) Violated in 0 structures by 0.00 A. Peak 10991 from cnoeabs.peaks (2.57, 0.96, 25.76 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.98: HG2 MET 67 + QD1 LEU 38 OK 98 99 100 99 1.8-4.3 9711=78, 1442/9699=39...(16) HB3 ASP 60 - QD1 LEU 38 far 5 100 5 - 5.2-6.9 Violated in 11 structures by 0.18 A. Peak 10992 from cnoeabs.peaks (2.66, 0.96, 25.76 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.95: HG2 MET 42 + QD1 LEU 38 OK 95 96 100 99 3.5-4.2 1.8/10993=79...(14) HB3 ASP 36 - QD1 LEU 38 far 0 100 0 - 8.0-8.6 HE3 LYS 61 - QD1 LEU 38 far 0 92 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 10993 from cnoeabs.peaks (2.75, 0.96, 25.76 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.93: HG3 MET 42 + QD1 LEU 38 OK 93 94 100 99 3.8-4.5 1.8/10992=74...(15) HB2 ASP 60 - QD1 LEU 38 far 10 70 15 - 5.5-7.5 Violated in 13 structures by 0.10 A. Peak 10994 from cnoeabs.peaks (2.59, 0.89, 25.56 ppm; 5.32 A): 0 out of 0 assignments used, quality = 0.00: Peak 10995 from cnoeabs.peaks (1.89, 0.96, 25.76 ppm; 3.34 A): 2 out of 10 assignments used, quality = 0.99: QE MET 67 + QD1 LEU 38 OK 95 98 100 97 1.8-3.7 9723=50, 3.3/10991=41...(20) HB2 LEU 63 + QD1 LEU 38 OK 71 77 95 97 3.6-5.2 3.1/10987=49...(17) QE MET 42 - QD1 LEU 38 poor 17 57 30 - 3.1-5.8 HB ILE 71 - QD1 LEU 38 far 0 92 0 - 6.6-9.0 HG LEU 45 - QD1 LEU 38 far 0 99 0 - 8.1-10.1 HB3 LYS 43 - QD1 LEU 38 far 0 77 0 - 8.8-9.4 HB2 LYS 73 - QD1 LEU 38 far 0 94 0 - 8.9-12.1 HB2 LEU 45 - QD1 LEU 38 far 0 65 0 - 9.5-11.0 HB3 LYS 73 - QD1 LEU 38 far 0 96 0 - 9.5-11.7 HB ILE 7 - QD1 LEU 38 far 0 98 0 - 9.7-11.2 Violated in 1 structures by 0.01 A. Peak 10996 from cnoeabs.peaks (4.04, 0.89, 25.56 ppm; 3.88 A): 2 out of 6 assignments used, quality = 0.99: HA SER 35 + QD2 LEU 38 OK 98 99 100 99 1.7-2.0 8029/3.1=57...(17) HA GLU 66 + QD2 LEU 38 OK 60 77 80 98 4.8-6.0 3.7/9385=55...(9) HA GLU 37 - QD2 LEU 38 far 3 65 5 - 5.3-5.8 HA LYS 40 - QD2 LEU 38 far 0 61 0 - 6.3-6.7 HA GLU 69 - QD2 LEU 38 far 0 81 0 - 8.7-10.0 HA LYS 44 - QD2 LEU 38 far 0 57 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10997 from cnoeabs.peaks (4.13, 0.96, 25.76 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.94: HA LEU 63 + QD1 LEU 38 OK 94 94 100 100 1.9-3.0 11527/2.1=74, 11253=72...(16) HA GLN 62 - QD1 LEU 38 poor 9 57 75 22 5.7-6.4 2093/11002=14...(3) HB2 SER 72 - QD1 LEU 38 far 0 100 0 - 8.8-10.7 HB3 SER 72 - QD1 LEU 38 far 0 100 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 10998 from cnoeabs.peaks (8.40, 0.96, 25.76 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.97: H MET 67 + QD1 LEU 38 OK 97 97 100 100 2.0-2.9 9699=95, 1442/10991=60...(16) H ASP 36 - QD1 LEU 38 far 0 84 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 10999 from cnoeabs.peaks (8.76, 0.96, 25.76 ppm; 5.08 A): 0 out of 1 assignment used, quality = 0.00: H ILE 5 - QD1 LEU 38 far 0 96 0 - 10.0-11.7 Violated in 20 structures by 5.90 A. Peak 11001 from cnoeabs.peaks (7.63, 0.89, 25.56 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.90: H LEU 64 + QD2 LEU 38 OK 80 94 85 100 6.1-7.0 3.6/11527=78...(15) H ASP 34 + QD2 LEU 38 OK 49 61 100 80 5.2-6.1 11315/1237=67...(3) H GLU 69 - QD2 LEU 38 far 0 96 0 - 7.0-8.1 Violated in 19 structures by 0.27 A. Peak 11002 from cnoeabs.peaks (7.81, 0.96, 25.76 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.98: H GLU 66 + QD1 LEU 38 OK 89 90 100 100 3.5-4.3 9696/2.1=74, 408/9699=64...(13) H LYS 39 + QD1 LEU 38 OK 77 77 100 100 4.3-4.5 4.8=100 Violated in 0 structures by 0.00 A. Peak 11003 from cnoeabs.peaks (0.86, 3.91, 59.13 ppm; 3.26 A): 1 out of 2 assignments used, quality = 0.98: QG1 VAL 32 + HA LEU 38 OK 98 98 100 100 2.6-3.2 9288=97, 11505/3.0=49...(13) HG13 ILE 57 - HA LEU 38 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 11004 from cnoeabs.peaks (7.34, 0.76, 24.53 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.99: HD22 ASN 11 + QD2 LEU 14 OK 92 92 100 100 3.2-4.5 3.5/9170=52, 1.7/9152=34...(25) HD21 ASN 11 + QD2 LEU 14 OK 89 90 100 100 1.9-3.9 3.5/9170=52, 1.7/9152=34...(27) Violated in 0 structures by 0.00 A. Peak 11005 from cnoeabs.peaks (7.19, 0.76, 24.53 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.98: HE22 GLN 83 + QD2 LEU 14 OK 88 92 100 96 1.8-4.5 3.5/11007=58...(14) HE21 GLN 83 + QD2 LEU 14 OK 86 90 100 96 3.0-5.0 3.5/11007=58...(13) Violated in 3 structures by 0.01 A. Peak 11006 from cnoeabs.peaks (6.18, 0.76, 24.53 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.95: HG1 THR 9 + QD2 LEU 14 OK 95 100 100 95 2.3-5.3 9132/9144=34, ~10756=33...(13) Violated in 1 structures by 0.04 A. Peak 11007 from cnoeabs.peaks (2.12, 0.76, 24.53 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.95: HG3 GLN 83 + QD2 LEU 14 OK 95 100 100 95 2.8-4.6 1.8/11008=48...(12) HB VAL 107 - QD2 LEU 14 far 0 100 0 - 7.0-7.8 HG3 GLU 21 - QD2 LEU 14 far 0 77 0 - 7.7-10.1 HG2 GLU 21 - QD2 LEU 14 far 0 84 0 - 7.9-9.9 HB2 GLU 21 - QD2 LEU 14 far 0 100 0 - 8.3-9.7 Violated in 11 structures by 0.16 A. Peak 11008 from cnoeabs.peaks (2.33, 0.76, 24.53 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: HG2 GLN 83 + QD2 LEU 14 OK 100 100 100 100 4.0-4.8 1.8/11007=97...(11) HG3 GLU 112 - QD2 LEU 14 far 0 100 0 - 7.3-9.7 HG2 GLU 112 - QD2 LEU 14 far 0 100 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 11010 from cnoeabs.peaks (1.77, 1.41, 18.60 ppm; 5.05 A): 1 out of 5 assignments used, quality = 0.98: HG12 ILE 18 + QB ALA 113 OK 98 99 100 99 3.9-5.7 2.1/10421=93...(10) HG3 ARG 105 - QB ALA 113 poor 13 65 20 - 5.3-8.7 HG2 LYS 17 - QB ALA 113 far 4 77 5 - 6.1-8.4 HB2 LEU 90 - QB ALA 113 far 0 98 0 - 9.2-10.6 HB2 LEU 80 - QB ALA 113 far 0 70 0 - 9.5-10.6 Violated in 4 structures by 0.05 A. Peak 11014 from cnoeabs.peaks (4.55, 2.09, 30.37 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.55: HA PHE 79 + HB2 GLU 103 OK 55 70 100 80 3.0-5.5 3.7/10206=45...(6) HA LYS 77 - HB2 GLU 103 far 0 100 0 - 7.0-9.1 Violated in 7 structures by 0.25 A. Peak 11015 from cnoeabs.peaks (0.68, 1.86, 32.95 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 116 + HB2 ARG 105 OK 100 100 100 100 2.0-4.9 11512/3.0=72...(11) QG2 ILE 97 - HB2 ARG 105 far 10 100 10 - 6.5-9.2 QD2 LEU 114 - HB2 ARG 105 far 0 87 0 - 9.1-11.6 QD1 LEU 55 - HB2 ARG 105 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 11016 from cnoeabs.peaks (0.69, 1.80, 26.58 ppm; 4.96 A): 2 out of 5 assignments used, quality = 0.97: QD1 ILE 116 + HG2 ARG 105 OK 96 96 100 100 2.1-3.8 11512/1.8=82...(15) QD2 LEU 81 + HG2 ARG 105 OK 22 65 35 98 5.2-7.5 2.1/11019=85, ~11633=64...(5) QG2 ILE 97 - HG2 ARG 105 far 0 98 0 - 8.0-10.5 QD2 LEU 114 - HG2 ARG 105 far 0 65 0 - 9.0-11.5 QD1 LEU 55 - HG2 ARG 105 far 0 99 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 11018 from cnoeabs.peaks (0.79, 1.86, 32.95 ppm; 5.08 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 81 + HB2 ARG 105 OK 100 100 100 100 3.0-4.8 11633/1.8=100...(10) QD1 LEU 82 + HB2 ARG 105 OK 58 90 90 73 4.6-6.9 5587/3.0=25...(7) QD2 LEU 80 + HB2 ARG 105 OK 23 84 75 37 4.7-8.7 10267/1694=18...(4) QD1 LEU 80 - HB2 ARG 105 poor 7 81 25 33 4.0-7.7 10267/1694=17, ~6394=9...(4) QD2 LEU 64 - HB2 ARG 105 far 0 98 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 11019 from cnoeabs.peaks (0.80, 1.80, 26.58 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.90: QD1 LEU 81 + HG2 ARG 105 OK 90 92 100 98 2.6-4.9 11633/3.0=77...(9) QD1 LEU 64 - HG2 ARG 105 far 0 77 0 - 8.7-13.0 QD1 LEU 114 - HG2 ARG 105 far 0 98 0 - 8.9-12.1 QD2 LEU 64 - HG2 ARG 105 far 0 73 0 - 9.8-13.2 Violated in 2 structures by 0.02 A. Peak 11020 from cnoeabs.peaks (2.34, 0.76, 21.72 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.99: HG2 GLN 83 + QG1 VAL 107 OK 96 97 100 99 1.9-4.2 1.8/6552=44...(19) HG2 GLU 112 + QG1 VAL 107 OK 68 98 75 92 3.4-6.4 11464=38, 11465/2.1=32...(12) HG3 GLU 112 + QG1 VAL 107 OK 32 99 35 92 3.3-6.2 1.8/11464=32...(12) HB3 PHE 120 - QG1 VAL 107 far 0 100 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 11021 from cnoeabs.peaks (2.35, 0.87, 20.76 ppm; 3.84 A): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 112 + QG2 VAL 107 OK 93 97 100 96 1.9-4.4 11465=39, 1.8/11465=34...(16) HG2 GLN 83 + QG2 VAL 107 OK 92 94 100 98 2.2-5.2 1.8/6547=44...(20) HG2 GLU 112 + QG2 VAL 107 OK 91 96 100 95 1.9-4.3 11465=39, 11464/2.1=36...(16) Violated in 0 structures by 0.00 A. Peak 11022 from cnoeabs.peaks (0.62, 1.74, 40.94 ppm; 5.15 A): 2 out of 5 assignments used, quality = 0.98: QD1 ILE 18 + HB2 LEU 114 OK 94 94 100 100 3.3-6.1 11023/1.8=67, ~11629=62...(13) QG1 VAL 78 + HB2 LEU 68 OK 64 66 100 97 5.1-6.5 9865/3.1=86, 9867/2.9=60...(5) QG1 VAL 22 - HB2 LEU 114 lone 5 73 40 16 5.5-8.0 11023/1.8=15 QD1 ILE 5 - HB2 LEU 114 far 0 100 0 - 8.6-12.6 HG13 ILE 15 - HB2 LEU 114 far 0 81 0 - 8.6-13.6 Violated in 4 structures by 0.03 A. Peak 11023 from cnoeabs.peaks (0.63, 1.40, 40.94 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.87: QD1 ILE 18 + HB3 LEU 114 OK 87 87 100 100 3.5-5.8 2.1/11628=70, ~11629=60...(15) QG1 VAL 22 - HB3 LEU 114 poor 19 84 60 39 5.4-7.5 3165/11224=13...(7) HG13 ILE 15 - HB3 LEU 114 far 0 90 0 - 8.1-12.3 QD1 ILE 5 - HB3 LEU 114 far 0 100 0 - 9.1-12.5 Violated in 8 structures by 0.08 A. Peak 11024 from cnoeabs.peaks (3.79, 1.73, 28.01 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 115 + HG2 ARG 118 OK 99 99 100 100 2.0-3.6 8264/3.0=96, 8262/3.0=92...(15) HA ALA 113 - HG2 ARG 118 far 0 99 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 11025 from cnoeabs.peaks (0.96, 3.91, 57.61 ppm; 5.63 A): 3 out of 4 assignments used, quality = 0.98: QD1 LEU 38 + HA LEU 64 OK 84 86 100 98 3.7-5.0 9699/2097=73, ~11001=35...(11) QD1 ILE 3 + HA GLU 128 OK 82 87 100 95 3.6-6.2 11026/3.0=59...(6) HG13 ILE 56 + HA LEU 64 OK 25 89 60 47 6.4-7.7 9704/8118=20...(5) HD3 LYS 2 - HA GLU 128 far 5 100 5 - 6.9-11.6 Violated in 0 structures by 0.00 A. Peak 11026 from cnoeabs.peaks (0.96, 1.90, 29.83 ppm; 6.08 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 3 + HB2 GLU 128 OK 98 99 100 100 3.6-6.4 9016/10630=80...(8) HD3 LYS 2 - HB2 GLU 128 far 0 99 0 - 9.4-12.6 Violated in 1 structures by 0.02 A. Peak 11027 from cnoeabs.peaks (0.66, 3.37, 65.47 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 114 + HA ILE 18 OK 95 96 100 99 1.9-4.7 10439=80, 2.1/11028=52...(17) QD1 ILE 116 - HA ILE 18 far 0 65 0 - 9.0-10.4 Violated in 7 structures by 0.22 A. Peak 11028 from cnoeabs.peaks (0.79, 3.37, 65.47 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.87: QD1 LEU 114 + HA ILE 18 OK 87 90 100 97 3.9-4.8 2.1/11027=85...(9) QG1 VAL 29 - HA ILE 18 far 0 98 0 - 5.9-8.0 QD1 LEU 81 - HA ILE 18 far 0 99 0 - 6.6-7.7 Violated in 18 structures by 0.37 A. Peak 11029 from cnoeabs.peaks (0.79, 1.79, 32.33 ppm; 4.95 A): 1 out of 2 assignments used, quality = 0.98: QG1 VAL 29 + HB2 LYS 19 OK 98 98 100 100 2.5-3.9 2.1/11031=83...(15) QD1 LEU 114 - HB2 LYS 19 far 0 90 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 11030 from cnoeabs.peaks (0.80, 1.83, 32.33 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 29 + HB3 LYS 19 OK 99 99 100 100 3.9-4.6 10926/3.0=80...(15) QD1 LEU 114 - HB3 LYS 19 far 0 94 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 11031 from cnoeabs.peaks (0.88, 1.79, 32.33 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.84: QG2 VAL 29 + HB2 LYS 19 OK 84 84 100 100 2.0-3.6 10783/1.8=73...(17) QG2 VAL 117 - HB2 LYS 19 far 0 65 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 11032 from cnoeabs.peaks (0.83, 2.70, 41.78 ppm; 3.41 A): 4 out of 11 assignments used, quality = 0.84: QG2 ILE 57 + HE3 LYS 19 OK 43 87 80 62 3.1-6.0 3.0/9558=21, ~9558=14...(11) QG2 ILE 57 + HE2 LYS 19 OK 38 87 70 62 3.4-6.5 3.0/9558=21, ~9558=14...(11) QG2 ILE 15 + HE3 LYS 19 OK 33 61 100 53 1.9-4.3 9180/1.8=16...(8) QG2 ILE 15 + HE2 LYS 19 OK 33 61 100 53 2.3-4.6 9180/1.8=16...(8) QD2 LEU 82 - HE2 LYS 61 far 0 67 0 - 5.0-9.0 QG2 ILE 5 - HE2 LYS 19 far 0 84 0 - 5.6-12.4 QD1 LEU 64 - HE2 LYS 61 far 0 48 0 - 5.6-9.7 QG2 ILE 5 - HE3 LYS 19 far 0 84 0 - 6.0-12.1 QG2 ILE 57 - HE2 LYS 61 far 0 53 0 - 9.3-14.7 HG13 ILE 5 - HE2 LYS 19 far 0 65 0 - 9.3-16.1 HG13 ILE 5 - HE3 LYS 19 far 0 65 0 - 9.8-15.9 Violated in 2 structures by 0.03 A. Peak 11033 from cnoeabs.peaks (0.71, 2.70, 41.78 ppm; 3.95 A): 2 out of 14 assignments used, quality = 1.00: QD1 ILE 57 + HE3 LYS 19 OK 94 100 100 94 2.0-4.1 9558=47, 9558/1.8=39...(17) QD1 ILE 57 + HE2 LYS 19 OK 94 100 100 94 2.0-4.7 9558=47, 9558/1.8=39...(17) QG2 ILE 18 - HE2 LYS 19 poor 12 90 25 53 2.0-7.6 9191/6.3=18, 3.7/1137=13...(9) QG2 ILE 18 - HE3 LYS 19 poor 12 90 25 53 2.8-7.5 9191/6.3=18, 3.7/1137=13...(8) QG1 VAL 117 - HE3 LYS 19 far 4 81 5 - 5.3-11.4 QG1 VAL 117 - HE2 LYS 19 far 0 81 0 - 5.7-11.6 QD2 LEU 81 - HE3 LYS 19 far 0 100 0 - 6.7-11.4 QG2 ILE 56 - HE2 LYS 19 far 0 84 0 - 7.0-10.7 QD2 LEU 81 - HE2 LYS 19 far 0 100 0 - 7.0-11.3 QG2 ILE 56 - HE3 LYS 19 far 0 84 0 - 7.1-9.8 QD1 LEU 6 - HE2 LYS 19 far 0 96 0 - 7.5-11.9 QD1 LEU 6 - HE3 LYS 19 far 0 96 0 - 8.0-11.2 QD1 LEU 6 - HE2 LYS 61 far 0 61 0 - 8.5-12.1 QD2 LEU 63 - HE2 LYS 61 far 0 68 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 11035 from cnoeabs.peaks (4.04, 0.96, 25.76 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: HA SER 35 + QD1 LEU 38 OK 100 100 100 100 3.4-3.8 8029/3.1=80...(16) HA GLU 66 + QD1 LEU 38 OK 69 70 100 99 3.8-5.0 3.7/10989=73...(9) HA GLU 37 - QD1 LEU 38 far 0 73 0 - 7.1-7.1 HA GLU 69 - QD1 LEU 38 far 0 87 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 11036 from cnoeabs.peaks (2.67, 3.84, 59.87 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.65: HG2 MET 42 + HA LYS 39 OK 65 65 100 99 4.1-5.8 1.8/11037=59...(9) HB3 ASP 36 - HA LYS 39 far 0 87 0 - 7.1-8.2 Violated in 6 structures by 0.11 A. Peak 11037 from cnoeabs.peaks (2.75, 3.84, 59.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: HG3 MET 42 + HA LYS 39 OK 92 92 100 100 3.7-6.4 1.8/11036=98, 11043=85...(9) Violated in 1 structures by 0.01 A. Peak 11038 from cnoeabs.peaks (0.89, 1.46, 25.42 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 38 + HG2 LYS 39 OK 99 99 100 99 2.0-4.9 9380/3562=70...(9) QG1 VAL 32 - HG2 LYS 39 poor 16 65 55 45 5.4-8.5 9279/4.9=20...(5) QD2 LEU 70 - HG2 LYS 39 lone 0 65 50 1 5.1-7.9 Violated in 1 structures by 0.00 A. Peak 11039 from cnoeabs.peaks (0.77, 1.46, 25.42 ppm; 4.27 A): 0 out of 2 assignments used, quality = 0.00: QG2 VAL 32 - HG2 LYS 39 far 0 92 0 - 5.8-8.9 QD1 LEU 45 - HG2 LYS 39 far 0 61 0 - 9.3-12.4 Violated in 20 structures by 2.90 A. Peak 11042 from cnoeabs.peaks (2.84, 1.44, 45.31 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 76 + HB2 LEU 4 OK 99 99 100 100 3.5-5.5 ~9037=75, 9045/3.1=74...(19) HB3 TYR 76 + HB3 LEU 4 OK 99 99 100 100 5.1-7.0 ~9037=75, 9045/3.1=74...(19) HE2 LYS 77 - HB2 LEU 4 far 0 61 0 - 8.2-10.5 HE2 LYS 77 - HB3 LEU 4 far 0 61 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11043 from cnoeabs.peaks (3.83, 2.76, 32.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 39 + HG3 MET 42 OK 97 97 100 100 3.7-6.4 11036/1.8=93...(9) Violated in 1 structures by 0.01 A. Peak 11044 from cnoeabs.peaks (3.83, 2.66, 32.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: HA LYS 39 + HG2 MET 42 OK 96 96 100 100 4.1-5.8 2050/1269=88...(9) Violated in 0 structures by 0.00 A. Peak 11045 from cnoeabs.peaks (2.18, 4.13, 56.64 ppm; 4.31 A): 3 out of 6 assignments used, quality = 1.00: HG3 GLU 66 + HA LEU 63 OK 99 99 100 100 2.4-4.4 11069=88, 4910/8113=77...(10) HB2 GLN 62 + HA LEU 63 OK 73 77 100 94 4.1-5.6 ~377=35, 378/2.9=29...(12) HB3 GLN 62 + HA LEU 63 OK 73 77 100 94 4.7-5.7 ~377=35, 378/2.9=29...(12) HB3 GLU 37 - HA LEU 63 far 0 97 0 - 8.0-10.0 HB2 GLU 69 - HA LEU 63 far 0 61 0 - 8.1-9.5 HB2 MET 42 - HA LEU 63 far 0 94 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 11046 from cnoeabs.peaks (2.40, 4.13, 56.64 ppm; 4.66 A): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 62 + HA LEU 63 OK 90 92 100 98 3.3-6.1 7609/2.9=32, 1.8/7052=28...(18) HG3 GLN 62 + HA LEU 63 OK 87 94 95 98 3.2-6.5 7609/2.9=32, 7052=28...(18) HG2 GLU 66 + HA LEU 63 OK 87 87 100 100 3.8-5.3 1.8/11069=82...(10) HG3 MET 67 + HA LEU 63 OK 41 96 45 96 4.3-7.7 ~9721=36, 3.3/4711=35...(17) Violated in 0 structures by 0.00 A. Peak 11047 from cnoeabs.peaks (2.70, 4.13, 56.64 ppm; 5.42 A): 0 out of 2 assignments used, quality = 0.00: HE2 LYS 61 - HA LEU 63 far 0 90 0 - 9.0-11.8 HB3 ASN 33 - HA LEU 63 far 0 96 0 - 9.8-11.1 Violated in 20 structures by 3.73 A. Peak 11048 from cnoeabs.peaks (4.04, 0.71, 22.93 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.94: HA SER 35 + QD2 LEU 63 OK 94 94 100 100 1.8-2.6 9338=85, 11049/2.1=50...(16) HA GLU 66 - QD2 LEU 63 far 0 90 0 - 5.8-6.8 HA LYS 40 - QD2 LEU 63 far 0 77 0 - 8.5-9.3 HA GLU 69 - QD2 LEU 63 far 0 65 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 11049 from cnoeabs.peaks (4.04, 0.74, 25.21 ppm; 4.50 A): 1 out of 8 assignments used, quality = 0.89: HA SER 35 + QD1 LEU 63 OK 89 90 100 100 2.6-4.7 11048/2.1=90...(16) HA LYS 40 - QD1 LEU 45 far 1 25 5 - 6.0-8.1 HA GLU 69 - QD2 LEU 6 far 0 41 0 - 6.8-8.2 HA GLU 66 - QD2 LEU 6 far 0 74 0 - 7.0-8.0 HA GLU 66 - QD1 LEU 63 far 0 94 0 - 7.9-8.8 HA SER 35 - QD2 LEU 6 far 0 69 0 - 8.8-9.8 HA LYS 40 - QD1 LEU 63 far 0 84 0 - 9.4-11.0 HA GLU 66 - QD1 LEU 45 far 0 30 0 - 9.9-12.5 Violated in 1 structures by 0.01 A. Peak 11050 from cnoeabs.peaks (0.51, 1.79, 41.35 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 68 + HB2 LEU 64 OK 100 100 100 100 3.4-5.3 11071=100, 2.1/11074=98...(20) Violated in 0 structures by 0.00 A. Peak 11051 from cnoeabs.peaks (0.51, 1.63, 41.35 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 68 + HB3 LEU 64 OK 100 100 100 100 4.2-5.1 11071/1.8=100, ~11074=84...(21) Violated in 0 structures by 0.00 A. Peak 11052 from cnoeabs.peaks (0.37, 1.79, 41.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 97 + HB2 LEU 64 OK 88 94 100 94 4.2-6.4 11270/3.1=49...(11) QD2 LEU 68 + HB2 LEU 64 OK 87 87 100 100 4.6-6.3 2.1/11071=100, 11074=82...(22) Violated in 0 structures by 0.00 A. Peak 11053 from cnoeabs.peaks (0.50, 3.91, 57.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 68 + HA LEU 64 OK 99 99 100 100 4.2-5.0 11071/3.0=95...(13) Violated in 0 structures by 0.00 A. Peak 11054 from cnoeabs.peaks (7.10, 3.79, 60.23 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.83: HZ PHE 93 + HA LYS 65 OK 83 84 100 99 3.7-5.4 10463/3.9=76...(8) Violated in 0 structures by 0.00 A. Peak 11055 from cnoeabs.peaks (7.10, 1.93, 32.27 ppm; 4.37 A): 3 out of 3 assignments used, quality = 1.00: QE PHE 79 + HB2 LYS 123 OK 99 99 100 100 2.9-3.7 4651=99, 11210/7083=62...(8) HZ PHE 93 + HB2 LYS 65 OK 63 65 100 97 2.9-5.7 10463/2.9=50, ~4676=38...(10) HZ PHE 93 + HB3 LYS 65 OK 60 65 95 97 3.0-6.0 10463/2.9=50, ~4676=38...(10) Violated in 0 structures by 0.00 A. Peak 11056 from cnoeabs.peaks (6.98, 1.93, 32.27 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.82: HZ PHE 79 + HB2 LYS 123 OK 82 83 100 100 2.8-4.5 2.2/4651=96...(6) QD TYR 102 - HB3 LYS 65 far 0 97 0 - 7.3-9.6 QD TYR 102 - HB2 LYS 65 far 0 97 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 11057 from cnoeabs.peaks (6.79, 1.93, 32.27 ppm; 6.03 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 120 + HB2 LYS 123 OK 99 99 100 100 3.7-5.5 4558/8297=93...(6) QD PHE 120 - HB2 LYS 115 far 0 92 0 - 8.2-9.8 QD PHE 120 - HB3 LYS 115 far 0 97 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 11059 from cnoeabs.peaks (6.79, 2.04, 29.26 ppm; 5.32 A): 0 out of 0 assignments used, quality = 0.00: Peak 11060 from cnoeabs.peaks (0.88, 2.04, 29.26 ppm; 3.39 A): 3 out of 17 assignments used, quality = 0.98: QD2 LEU 38 + HB2 GLU 66 OK 96 99 100 97 2.7-4.6 11067/4909=55...(13) QG2 VAL 104 + HB3 GLU 98 OK 44 54 85 95 3.0-5.6 11404/1.8=55...(9) QD2 LEU 90 + HB2 GLU 89 OK 21 100 60 35 3.2-7.2 1596/4.7=27, 572/7820=8 QD2 LEU 90 - HB3 GLU 89 poor 9 100 35 27 3.9-7.5 1596/4.7=27 QG2 VAL 104 - HB3 GLN 100 far 9 89 10 - 4.6-9.3 QD2 LEU 70 - HB2 GLU 66 far 6 61 10 - 4.4-7.5 QD1 LEU 90 - HB2 GLU 89 far 0 61 0 - 4.9-6.3 QD1 LEU 90 - HB3 GLU 89 far 0 61 0 - 5.6-7.1 QG1 VAL 32 - HB2 GLU 66 far 0 70 0 - 5.8-8.7 QD1 LEU 90 - HB3 GLN 85 far 0 59 0 - 5.9-9.1 QD2 LEU 90 - HB3 GLN 85 far 0 99 0 - 6.2-7.5 QG2 VAL 107 - HB3 GLN 85 far 0 71 0 - 6.7-9.3 QD1 LEU 90 - HB3 GLU 98 far 0 26 0 - 7.2-10.7 QG2 VAL 104 - HB2 GLU 89 far 0 100 0 - 8.4-11.6 QG2 VAL 104 - HB3 GLU 89 far 0 100 0 - 8.4-12.6 QD2 LEU 90 - HB3 GLU 98 far 0 53 0 - 8.5-10.4 QG2 VAL 107 - HB2 GLU 89 far 0 73 0 - 9.7-13.2 Violated in 2 structures by 0.01 A. Peak 11062 from cnoeabs.peaks (0.88, 2.09, 29.26 ppm; 3.39 A): 3 out of 12 assignments used, quality = 0.99: QD2 LEU 38 + HB3 GLU 66 OK 95 97 100 98 2.5-4.8 11067/4910=59...(11) QG2 VAL 107 + HB2 GLU 112 OK 52 61 100 84 1.8-3.6 2.1/11063=25...(16) QG2 VAL 107 + HB3 GLU 112 OK 49 58 100 84 1.8-2.8 2.1/11063=25...(17) QG1 VAL 32 - HB3 GLU 66 far 0 77 0 - 5.9-8.0 QG2 VAL 117 - HB3 GLU 112 far 0 49 0 - 6.7-7.8 QG2 VAL 117 - HB2 GLU 112 far 0 52 0 - 7.1-8.4 QD2 LEU 90 - HB3 GLU 112 far 0 80 0 - 7.3-8.9 QD2 LEU 38 - HB3 GLU 69 far 0 87 0 - 7.3-9.4 QD2 LEU 90 - HB2 GLU 112 far 0 84 0 - 7.5-10.1 QG2 THR 9 - HB3 GLU 112 far 0 42 0 - 9.5-11.0 QG2 VAL 104 - HB3 GLU 112 far 0 80 0 - 9.5-13.5 QG2 THR 9 - HB2 GLU 112 far 0 45 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (0.77, 2.09, 29.26 ppm; 4.05 A): 2 out of 16 assignments used, quality = 0.92: QG1 VAL 107 + HB3 GLU 112 OK 71 79 100 90 3.2-4.7 11464/3.0=30...(14) QG1 VAL 107 + HB2 GLU 112 OK 71 83 95 90 3.3-5.7 11464/3.0=30...(13) QD2 LEU 64 - HB3 GLU 66 far 0 70 0 - 5.9-7.6 QD2 LEU 14 - HB2 GLU 112 far 0 83 0 - 6.3-8.2 QD2 LEU 14 - HB3 GLU 112 far 0 79 0 - 6.4-7.9 QG2 VAL 32 - HB3 GLU 66 far 0 100 0 - 7.2-9.3 QD2 LEU 64 - HB3 GLU 69 far 0 59 0 - 7.3-8.9 QD1 LEU 82 - HB3 GLU 112 far 0 63 0 - 7.9-11.3 QD1 LEU 80 - HB3 GLU 66 far 0 94 0 - 8.8-12.7 QD2 LEU 80 - HB3 GLU 66 far 0 92 0 - 8.8-12.2 QD1 LEU 80 - HB3 GLU 69 far 0 83 0 - 8.9-12.2 QD2 LEU 80 - HB3 GLU 69 far 0 81 0 - 9.2-11.8 QD1 LEU 82 - HB2 GLU 112 far 0 67 0 - 9.3-12.5 QD1 LEU 45 - HB3 GLU 66 far 0 87 0 - 9.6-12.9 QD1 ILE 7 - HB3 GLU 112 far 0 80 0 - 9.7-11.9 QD1 ILE 7 - HB2 GLU 112 far 0 84 0 - 10.0-12.7 Violated in 3 structures by 0.03 A. Peak 11064 from cnoeabs.peaks (0.88, 2.39, 36.01 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 38 + HG2 GLU 66 OK 96 97 100 99 3.1-4.9 11067/1.8=78, ~10989=42...(11) QG1 VAL 32 - HG2 GLU 66 far 0 77 0 - 6.7-8.4 Violated in 18 structures by 0.83 A. Peak 11065 from cnoeabs.peaks (0.77, 2.39, 36.01 ppm; 4.33 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 64 - HG2 GLU 66 far 0 92 0 - 6.6-8.2 QG2 VAL 32 - HG2 GLU 66 far 0 92 0 - 7.5-10.1 QD1 LEU 80 - HG2 GLU 66 far 0 100 0 - 9.1-13.4 QD2 LEU 80 - HG2 GLU 66 far 0 100 0 - 9.6-12.3 Violated in 20 structures by 2.45 A. Peak 11066 from cnoeabs.peaks (0.69, 2.39, 36.01 ppm; 4.22 A): 0 out of 2 assignments used, quality = 0.00: QG2 ILE 56 - HG2 GLU 66 far 0 98 0 - 7.6-10.9 QG2 ILE 97 - HG2 GLU 66 far 0 98 0 - 9.3-12.1 Violated in 20 structures by 4.43 A. Peak 11067 from cnoeabs.peaks (0.88, 2.19, 36.01 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 38 + HG3 GLU 66 OK 97 97 100 100 2.9-3.6 9385=93, 11064/1.8=66...(11) QG1 VAL 32 - HG3 GLU 66 far 0 77 0 - 6.0-7.8 Violated in 10 structures by 0.04 A. Peak 11068 from cnoeabs.peaks (0.72, 2.19, 36.01 ppm; 5.09 A): 2 out of 4 assignments used, quality = 0.79: QD2 LEU 63 + HG3 GLU 66 OK 73 73 100 99 3.5-4.8 10988/9385=89...(7) QD1 LEU 63 + HG3 GLU 66 OK 21 73 35 83 5.6-7.1 4.0/11069=65, ~9683=24...(5) QD2 LEU 6 - HG3 GLU 66 far 5 92 5 - 6.2-9.7 QD1 LEU 6 - HG3 GLU 66 far 0 92 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 11069 from cnoeabs.peaks (4.14, 2.19, 36.01 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 63 + HG3 GLU 66 OK 99 99 100 100 2.4-4.4 8113/4910=82...(10) Violated in 0 structures by 0.00 A. Peak 11070 from cnoeabs.peaks (4.14, 2.39, 36.01 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.97: HA LEU 63 + HG2 GLU 66 OK 97 97 100 100 3.8-5.3 11069/1.8=89...(10) HA LEU 70 - HG2 GLU 66 far 0 57 0 - 6.6-10.1 HB3 SER 72 - HG2 GLU 66 far 0 61 0 - 9.6-12.1 Violated in 3 structures by 0.04 A. Peak 11071 from cnoeabs.peaks (1.79, 0.51, 25.27 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 64 + QD1 LEU 68 OK 100 100 100 100 3.4-5.3 11074/2.1=64...(20) HG12 ILE 5 - QD1 LEU 68 far 0 61 0 - 8.6-11.1 HB VAL 32 - QD1 LEU 68 far 0 87 0 - 9.3-10.4 HG2 ARG 105 - QD1 LEU 68 far 0 70 0 - 9.8-11.6 Violated in 18 structures by 0.49 A. Peak 11072 from cnoeabs.peaks (1.62, 0.51, 25.27 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.99: HB3 LEU 64 + QD1 LEU 68 OK 97 99 100 98 4.2-5.1 1.8/11071=59, ~11074=35...(19) HG LEU 64 + QD1 LEU 68 OK 65 65 100 99 2.0-3.9 11073/2.1=66...(16) HB2 LEU 82 - QD1 LEU 68 far 0 100 0 - 6.0-8.4 HD3 LYS 77 - QD1 LEU 68 far 0 100 0 - 8.0-10.7 HD2 LYS 77 - QD1 LEU 68 far 0 100 0 - 8.5-10.6 HG LEU 63 - QD1 LEU 68 far 0 99 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 11073 from cnoeabs.peaks (1.63, 0.38, 23.07 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.72: HG LEU 64 + QD2 LEU 68 OK 72 77 95 98 3.6-5.5 2.1/11269=55...(16) HB3 LEU 64 - QD2 LEU 68 far 0 100 0 - 5.9-6.8 HD3 LYS 77 - QD2 LEU 68 far 0 99 0 - 6.3-9.1 HD2 LYS 77 - QD2 LEU 68 far 0 100 0 - 7.0-8.9 HB ILE 5 - QD2 LEU 68 far 0 61 0 - 7.0-8.1 HB2 LEU 82 - QD2 LEU 68 far 0 98 0 - 7.6-10.0 Violated in 14 structures by 0.89 A. Peak 11074 from cnoeabs.peaks (1.79, 0.38, 23.07 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 64 + QD2 LEU 68 OK 100 100 100 100 4.6-6.3 11071/2.1=84...(22) HB VAL 32 - QD2 LEU 68 far 0 92 0 - 8.9-10.0 Violated in 19 structures by 1.10 A. Peak 11075 from cnoeabs.peaks (1.69, 0.51, 25.27 ppm; 4.81 A): 1 out of 8 assignments used, quality = 0.92: HG12 ILE 71 + QD1 LEU 68 OK 92 100 95 97 4.9-7.1 11370/4.0=57, ~9775=43...(10) HB ILE 56 - QD1 LEU 68 far 0 99 0 - 7.1-9.4 HD2 LYS 96 - QD1 LEU 68 far 0 87 0 - 8.2-9.9 HD3 LYS 96 - QD1 LEU 68 far 0 92 0 - 8.4-9.8 HD3 LYS 73 - QD1 LEU 68 far 0 94 0 - 8.6-12.2 HG LEU 74 - QD1 LEU 68 far 0 90 0 - 9.5-11.4 HG3 ARG 95 - QD1 LEU 68 far 0 70 0 - 9.7-11.8 HD2 LYS 73 - QD1 LEU 68 far 0 96 0 - 9.7-12.9 Violated in 20 structures by 0.51 A. Peak 11076 from cnoeabs.peaks (1.77, 0.74, 16.61 ppm; 4.57 A): 1 out of 6 assignments used, quality = 0.95: HG12 ILE 18 + QG2 ILE 7 OK 95 96 100 99 4.1-4.8 2.1/11582=96, ~11580=45...(10) HB2 LEU 64 - QG2 ILE 7 far 0 73 0 - 6.1-7.6 HG2 LYS 17 - QG2 ILE 7 far 0 65 0 - 6.6-9.8 HB2 LEU 55 - QG2 ILE 7 far 0 87 0 - 7.2-8.5 HB2 LYS 19 - QG2 ILE 7 far 0 77 0 - 8.2-9.7 HB VAL 32 - QG2 ILE 7 far 0 100 0 - 8.8-9.7 Violated in 3 structures by 0.01 A. Peak 11077 from cnoeabs.peaks (1.69, 4.16, 57.77 ppm; 4.22 A): 3 out of 9 assignments used, quality = 1.00: HD3 LYS 73 + HA LEU 70 OK 94 99 100 95 3.5-5.4 3.0/11081=47...(9) HD2 LYS 73 + HA LEU 70 OK 85 100 90 94 2.4-6.1 3.0/11081=47...(9) HG12 ILE 71 + HA LEU 70 OK 76 98 95 81 4.9-6.9 1469/3.6=44, 11661=21...(9) HG LEU 74 - HA LEU 70 poor 15 73 75 28 4.1-6.6 1469/3.6=16, 1482/2126=7 HD2 LYS 43 - HA LEU 70 far 5 94 5 - 5.0-9.9 HD3 LYS 43 - HA LEU 70 lone 0 99 35 1 5.3-8.3 HD2 LYS 39 - HA LEU 70 far 0 65 0 - 7.7-13.9 HD3 LYS 39 - HA LEU 70 far 0 70 0 - 7.9-14.8 HG3 LYS 39 - HA LEU 70 far 0 90 0 - 9.3-13.1 Violated in 10 structures by 0.03 A. Peak 11078 from cnoeabs.peaks (2.56, 0.82, 18.37 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.74: HG2 MET 67 + QG2 ILE 71 OK 74 99 75 100 4.3-7.5 9714/3.3=77, ~9720=59...(12) HE3 LYS 77 - QG2 ILE 71 far 0 84 0 - 7.2-10.6 Violated in 14 structures by 0.81 A. Peak 11079 from cnoeabs.peaks (2.41, 0.82, 18.37 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.83: HG3 MET 67 + QG2 ILE 71 OK 83 87 95 100 3.8-7.7 1.8/11078=98...(12) HG2 GLU 66 - QG2 ILE 71 far 0 73 0 - 7.8-11.5 Violated in 8 structures by 0.26 A. Peak 11080 from cnoeabs.peaks (4.16, 1.60, 24.91 ppm; 4.99 A): 2 out of 2 assignments used, quality = 1.00: HA LEU 70 + HG2 LYS 73 OK 99 100 100 99 2.3-5.4 11081/1.8=79...(9) HA LEU 45 + HG2 LYS 44 OK 34 35 100 97 3.3-6.5 ~266=56, 3.0/265=53...(12) Violated in 1 structures by 0.00 A. Peak 11081 from cnoeabs.peaks (4.17, 1.48, 24.91 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.77: HA LEU 70 + HG3 LYS 73 OK 77 90 90 95 2.9-6.4 11080/1.8=47...(8) Violated in 4 structures by 0.19 A. Peak 11082 from cnoeabs.peaks (2.28, 2.85, 38.17 ppm; 5.72 A): 3 out of 5 assignments used, quality = 1.00: HG3 GLU 91 + HB2 ASN 88 OK 89 99 90 99 5.6-9.3 11104/3.0=62, ~8174=62...(7) HG3 GLU 87 + HB2 ASN 88 OK 84 87 100 97 3.1-6.4 5.0/1580=79, 11462=50...(6) HG2 GLU 87 + HB2 ASN 88 OK 84 87 100 97 3.4-6.1 5.0/1580=79...(6) HG3 GLU 92 - HB2 ASN 88 poor 18 65 90 31 5.4-10.7 1588/556=19...(3) HG2 GLU 69 - HB3 TYR 76 far 0 69 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 11083 from cnoeabs.peaks (2.03, 2.85, 38.17 ppm; 5.46 A): 3 out of 8 assignments used, quality = 0.99: HB2 GLU 89 + HB2 ASN 88 OK 94 97 100 97 5.2-6.6 4.0/556=78, 11085/1.8=36...(7) HB3 GLU 87 + HB2 ASN 88 OK 78 97 85 94 3.9-7.2 7746/1580=81...(4) HB3 GLU 89 + HB2 ASN 88 OK 47 97 50 97 5.2-7.3 4.0/556=78, 11085/1.8=36...(7) HB2 MET 1 - HB3 TYR 76 far 0 80 0 - 7.0-11.1 HG2 GLU 128 - HB3 TYR 76 far 0 43 0 - 7.7-13.2 HG3 GLU 128 - HB3 TYR 76 far 0 43 0 - 8.1-14.6 HB3 MET 67 - HB3 TYR 76 far 0 52 0 - 8.8-11.8 HB3 GLN 85 - HB2 ASN 88 far 0 97 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 11084 from cnoeabs.peaks (2.27, 2.90, 38.17 ppm; 5.33 A): 3 out of 3 assignments used, quality = 0.94: HG2 GLU 89 + HB3 ASN 88 OK 80 87 100 92 3.0-5.2 5.2/557=62, 1.8/11303=35...(6) HG3 GLU 91 + HB3 ASN 88 OK 59 87 70 97 6.0-9.4 ~8174=54, ~8172=53...(7) HG3 GLU 92 + HB3 ASN 88 OK 26 92 85 33 4.6-10.0 1588/557=27, 11082/1.8=4...(4) Violated in 0 structures by 0.00 A. Peak 11085 from cnoeabs.peaks (2.04, 2.90, 38.17 ppm; 5.09 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + HB3 ASN 88 OK 96 100 100 96 4.5-5.2 4.0/557=73, 11301=34...(7) HB3 GLU 89 + HB3 ASN 88 OK 94 100 100 95 3.7-6.0 4.0/557=73, 1.8/11301=34...(6) HB3 GLU 87 + HB3 ASN 88 OK 36 100 40 90 5.1-7.0 7746/1581=79, ~11462=29...(4) HB2 GLU 92 - HB3 ASN 88 lone 4 77 40 13 5.2-9.5 3.0/11084=10, ~11082=3 HB3 GLN 85 - HB3 ASN 88 far 0 100 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 11086 from cnoeabs.peaks (0.97, 1.84, 32.22 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 3 + HB3 LYS 77 OK 97 100 100 97 1.9-2.8 2.1/11691=56...(10) QD1 ILE 3 + HB2 LYS 77 OK 95 100 100 95 2.9-4.2 9013/4.7=43, ~11691=40...(10) HD3 LYS 2 - HB3 LYS 77 far 5 96 5 - 5.2-11.2 HD3 LYS 2 - HB2 LYS 77 far 0 95 0 - 6.1-11.9 Violated in 0 structures by 0.00 A. Peak 11088 from cnoeabs.peaks (0.88, 1.29, 45.67 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 104 + HB3 LEU 80 OK 100 100 100 100 1.9-4.2 11383/1.8=82...(19) QD2 LEU 90 - HB3 LEU 80 far 0 100 0 - 7.7-10.4 QG2 VAL 117 - HB3 LEU 80 far 0 65 0 - 8.2-9.3 QG2 VAL 107 - HB3 LEU 80 far 0 77 0 - 9.4-11.9 Violated in 3 structures by 0.01 A. Peak 11089 from cnoeabs.peaks (0.88, 1.44, 28.31 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 104 + HG LEU 80 OK 100 100 100 100 1.9-4.1 11092/2.1=90...(21) QD2 LEU 90 - HG LEU 80 far 0 100 0 - 6.7-9.4 QG2 VAL 117 - HG LEU 80 far 0 65 0 - 7.6-10.0 QG2 VAL 29 - HG LEU 4 far 0 57 0 - 8.7-12.0 QG2 VAL 107 - HG LEU 80 far 0 77 0 - 9.2-11.5 Violated in 9 structures by 0.07 A. Peak 11090 from cnoeabs.peaks (0.94, 1.44, 28.31 ppm; 3.50 A): 1 out of 8 assignments used, quality = 0.38: QG1 VAL 104 + HG LEU 80 OK 38 77 50 99 4.0-5.6 2.1/11089=59, ~11092=43...(22) HG13 ILE 97 - HG LEU 80 poor 19 61 40 79 1.9-7.0 ~9924=34, ~9923=27...(10) HD3 LYS 2 - HG LEU 4 poor 19 48 40 - 3.3-7.9 HG13 ILE 56 - HG LEU 4 poor 16 54 30 - 4.2-8.9 HG3 LYS 53 - HG LEU 4 far 0 66 0 - 5.3-9.8 QD1 LEU 38 - HG LEU 4 far 0 42 0 - 9.6-11.7 QD2 LEU 127 - HG LEU 4 far 0 57 0 - 9.8-13.1 QD1 LEU 38 - HG LEU 80 far 0 65 0 - 9.8-11.7 Violated in 20 structures by 1.46 A. Peak 11091 from cnoeabs.peaks (0.89, 0.78, 27.66 ppm; 3.31 A): 1 out of 6 assignments used, quality = 0.94: QG2 VAL 104 + QD2 LEU 80 OK 94 94 100 100 1.6-4.0 11092/2.1=63...(36) QD1 LEU 90 - QD2 LEU 80 poor 18 92 20 - 4.3-10.3 QD2 LEU 90 - QD2 LEU 80 far 0 90 0 - 5.3-9.0 QD1 LEU 70 - QD2 LEU 80 far 0 84 0 - 8.4-11.1 QD2 LEU 38 - QD2 LEU 80 far 0 99 0 - 9.5-12.2 QD2 LEU 70 - QD2 LEU 80 far 0 92 0 - 9.7-12.6 Violated in 5 structures by 0.12 A. Peak 11092 from cnoeabs.peaks (0.88, 0.78, 25.50 ppm; 2.87 A): 1 out of 6 assignments used, quality = 0.98: QG2 VAL 104 + QD1 LEU 80 OK 98 100 100 98 1.8-3.7 11091/2.1=41...(28) QD2 LEU 90 - QD1 LEU 80 far 0 100 0 - 5.4-8.1 QG2 VAL 117 - QD1 LEU 80 far 0 65 0 - 6.4-8.4 QG2 VAL 107 - QD1 LEU 80 far 0 77 0 - 7.5-10.6 QG1 VAL 32 - QD1 LEU 80 far 0 73 0 - 9.0-11.9 QD2 LEU 38 - QD1 LEU 80 far 0 98 0 - 9.4-12.3 Violated in 14 structures by 0.23 A. Peak 11093 from cnoeabs.peaks (1.61, 0.78, 27.66 ppm; 4.23 A): 3 out of 5 assignments used, quality = 0.98: HG LEU 82 + QD2 LEU 80 OK 92 94 100 98 1.7-5.6 ~11395=50...(24) HB2 LEU 82 + QD2 LEU 80 OK 70 81 90 97 2.9-7.8 ~11395=38, 1.8/5497=26...(24) HG LEU 68 + QD2 LEU 80 OK 30 61 50 98 2.9-6.3 2.1/9922=81, ~9925=48...(11) HD3 LYS 77 - QD2 LEU 80 far 0 73 0 - 6.9-11.7 HD2 LYS 77 - QD2 LEU 80 far 0 70 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 11094 from cnoeabs.peaks (1.88, 0.78, 27.66 ppm; 4.90 A): 0 out of 8 assignments used, quality = 0.00: HB ILE 7 - QD2 LEU 80 poor 19 94 20 - 5.7-8.9 QE MET 67 - QD2 LEU 80 far 5 100 5 - 4.6-9.2 HB ILE 71 - QD2 LEU 80 far 4 84 5 - 6.2-10.7 HB2 LYS 96 - QD2 LEU 80 lone 3 65 65 7 5.0-8.2 8208/10091=4, 9764/9922=2 QE MET 42 - QD2 LEU 80 far 0 70 0 - 6.9-10.9 HG2 ARG 95 - QD2 LEU 80 far 0 97 0 - 7.8-11.4 HB2 ARG 95 - QD2 LEU 80 far 0 81 0 - 7.9-11.1 HB2 LEU 63 - QD2 LEU 80 far 0 87 0 - 8.2-10.9 Violated in 18 structures by 0.39 A. Peak 11095 from cnoeabs.peaks (8.05, 2.12, 33.72 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.75: H ASP 109 + HG3 GLN 83 OK 75 77 100 98 4.5-6.7 3.6/10001=83...(8) H THR 9 - HG3 GLN 83 far 10 97 10 - 7.6-9.4 H LEU 90 - HG3 GLN 83 far 0 99 0 - 9.4-11.8 Violated in 3 structures by 0.06 A. Peak 11096 from cnoeabs.peaks (7.18, 5.26, 54.59 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 11097 from cnoeabs.peaks (3.22, 0.86, 19.21 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.99: HA ILE 15 + QG2 THR 9 OK 99 100 100 99 2.9-3.6 2.9/9125=74, 3.9/9116=73...(12) HB2 PHE 120 - QG2 THR 9 far 0 100 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 11098 from cnoeabs.peaks (3.03, 0.86, 19.21 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 11 + QG2 THR 9 OK 100 100 100 100 4.1-5.8 1074/9143=95...(13) HB3 PHE 93 - QG2 THR 9 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11099 from cnoeabs.peaks (4.50, 0.88, 24.74 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 84 + QD2 LEU 90 OK 100 100 100 100 3.7-4.0 10026=100, 3.0/10025=88...(15) Violated in 0 structures by 0.00 A. Peak 11100 from cnoeabs.peaks (4.92, 0.88, 24.74 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.96: HA LEU 82 + QD2 LEU 90 OK 86 97 100 88 4.3-5.9 3.0/9967=48, 3.0/9965=37...(7) HA ARG 105 + QD2 LEU 90 OK 69 100 100 69 5.7-7.1 669/10279=59...(3) Violated in 0 structures by 0.00 A. Peak 11104 from cnoeabs.peaks (4.57, 2.29, 35.05 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 88 + HG3 GLU 91 OK 99 99 100 100 3.1-6.8 8174/5834=98...(7) Violated in 1 structures by 0.03 A. Peak 11105 from cnoeabs.peaks (4.08, 1.32, 24.71 ppm; 5.74 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 91 + HG3 LYS 94 OK 100 100 100 100 2.8-4.8 8194/3.0=91, 8196/3.0=86...(15) HA LYS 96 - HG3 LYS 94 far 13 90 15 - 7.1-9.2 Violated in 0 structures by 0.00 A. Peak 11106 from cnoeabs.peaks (4.09, 1.54, 30.10 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.95: HA GLU 91 + HD2 LYS 94 OK 79 81 100 97 2.0-5.1 11105/3.0=49...(13) HA GLU 91 + HD3 LYS 94 OK 78 81 100 97 2.0-5.5 11105/3.0=49...(14) Violated in 0 structures by 0.00 A. Peak 11107 from cnoeabs.peaks (1.76, 0.68, 18.75 ppm; 4.04 A): 2 out of 4 assignments used, quality = 0.98: HB2 LEU 80 + QG2 ILE 97 OK 92 99 100 93 2.1-4.0 9918/10223=27, ~9924=26...(15) HB2 LEU 68 + QG2 ILE 97 OK 69 90 90 86 4.0-6.0 3.1/11496=62, ~11641=27...(8) HG3 ARG 105 - QG2 ILE 97 far 0 98 0 - 7.7-10.2 HB2 LEU 90 - QG2 ILE 97 far 0 65 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 11108 from cnoeabs.peaks (1.59, 0.68, 18.75 ppm; 5.67 A): 3 out of 5 assignments used, quality = 1.00: HG LEU 68 + QG2 ILE 97 OK 100 100 100 100 4.1-5.6 2.1/11496=100, ~11641=74...(6) HG LEU 82 + QG2 ILE 97 OK 88 92 100 96 4.3-6.3 ~11397=67, ~11396=65...(7) HG3 LYS 96 + QG2 ILE 97 OK 39 65 75 80 6.8-7.3 7799/4.0=44, ~10130=26...(6) HB3 LEU 70 - QG2 ILE 97 far 0 65 0 - 9.2-11.4 HG2 LYS 73 - QG2 ILE 97 far 0 94 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 11109 from cnoeabs.peaks (6.63, 7.57, 33.72 ppm; 4.82 A): 0 out of 0 assignments used, quality = 0.00: Peak 11115 from cnoeabs.peaks (8.05, 4.13, 62.80 ppm; 3.72 A): 1 out of 3 assignments used, quality = 0.70: H VAL 22 + HA VAL 22 OK 70 70 100 100 2.8-2.9 3.0=100 H GLN 122 - HA VAL 22 far 0 100 0 - 7.6-10.2 H LYS 65 - HB2 SER 72 far 0 54 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 11116 from cnoeabs.peaks (6.78, 4.13, 62.80 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 27 + HA VAL 22 OK 99 99 100 100 3.8-6.1 4571/11450=84...(24) QD PHE 120 - HA VAL 22 far 0 97 0 - 8.5-10.0 Violated in 6 structures by 0.15 A. Peak 11117 from cnoeabs.peaks (0.72, 0.64, 20.11 ppm; 2.95 A): 4 out of 9 assignments used, quality = 0.94: QG2 ILE 18 + QG1 VAL 22 OK 60 100 100 61 1.9-2.6 2.1/10865=20...(10) QD2 LEU 55 + QG1 VAL 22 OK 59 73 100 80 1.7-3.5 3.1/10866=20...(14) QG1 VAL 117 + QG1 VAL 22 OK 52 100 100 52 2.5-4.0 2.1/3166=13...(13) HG13 ILE 18 + QG1 VAL 22 OK 27 94 65 45 3.2-5.4 2.9/10865=16...(7) QD1 ILE 57 - QG1 VAL 22 lone 2 84 30 8 4.1-6.5 9199/10856=3...(3) QD2 LEU 81 - QG1 VAL 22 far 0 81 0 - 4.7-5.8 QD1 LEU 6 - QG1 VAL 22 far 0 99 0 - 7.2-8.5 QD2 LEU 6 - QG1 VAL 22 far 0 77 0 - 8.0-9.0 QG2 VAL 78 - QG1 VAL 22 far 0 99 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 11118 from cnoeabs.peaks (0.74, 0.85, 19.94 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.95: QD2 LEU 55 + QG2 VAL 22 OK 91 100 100 91 1.7-3.7 11138=38, 3.1/10874=27...(13) QG2 ILE 18 + QG2 VAL 22 OK 44 65 100 67 2.3-3.4 2.1/10871=17...(10) QG1 VAL 117 - QG2 VAL 22 poor 9 77 35 34 4.0-6.1 11117/2.1=9, ~3166=7...(8) HG13 ILE 18 - QG2 VAL 22 far 5 97 5 - 4.5-6.2 QG2 ILE 7 - QG2 VAL 22 far 0 96 0 - 5.7-7.3 QG2 ILE 54 - QG2 VAL 22 far 0 92 0 - 6.0-8.0 QD2 LEU 6 - QG2 VAL 22 far 0 100 0 - 8.5-9.8 QG2 VAL 78 - QG2 VAL 22 far 0 90 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 11119 from cnoeabs.peaks (0.72, 4.13, 62.80 ppm; 4.74 A): 2 out of 11 assignments used, quality = 0.95: QG2 ILE 18 + HA VAL 22 OK 81 100 100 81 4.8-5.4 11117/3.2=27, ~10857=25...(9) QG1 VAL 117 + HA VAL 22 OK 75 99 100 75 4.8-6.2 10601/10861=46...(8) QG2 VAL 78 - HB2 SER 72 poor 17 73 60 39 4.9-7.5 ~9808=37, 9873/4606=2 QG2 VAL 78 - HB3 SER 72 far 11 73 15 - 6.1-8.2 HG13 ILE 18 - HA VAL 22 far 4 84 5 - 6.2-8.6 QD2 LEU 6 - HB2 SER 72 far 0 44 0 - 6.7-9.4 QD1 ILE 57 - HA VAL 22 far 0 94 0 - 7.1-9.3 QD2 LEU 6 - HB3 SER 72 far 0 44 0 - 7.3-10.4 QD2 LEU 81 - HA VAL 22 far 0 92 0 - 7.7-8.9 QD1 LEU 6 - HB2 SER 72 far 0 82 0 - 8.3-10.8 QD1 LEU 6 - HB3 SER 72 far 0 82 0 - 9.3-11.6 Violated in 10 structures by 0.05 A. Peak 11120 from cnoeabs.peaks (3.95, 2.21, 29.21 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.90: HA ILE 97 + HB2 GLN 100 OK 71 73 100 96 1.9-3.8 10894/3.0=53...(9) HA MET 67 + HB2 GLU 69 OK 66 80 90 92 4.9-6.7 8137/1454=56...(7) HA ILE 97 - HB2 GLU 69 far 0 55 0 - 7.4-10.1 HB3 SER 35 - HB2 GLU 69 far 0 81 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 11121 from cnoeabs.peaks (3.95, 2.05, 29.21 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.97: HA MET 67 + HB2 GLU 66 OK 85 89 100 96 4.0-5.1 4916=44, ~411=42...(12) HA ILE 97 + HB3 GLN 100 OK 78 87 100 90 2.1-4.8 10894/6266=33...(12) HB3 SER 35 - HB2 GLU 66 far 13 89 15 - 5.3-7.9 HA ILE 97 - HB3 GLU 98 far 0 56 0 - 5.5-5.7 HA ILE 97 - HB2 GLU 92 far 0 44 0 - 9.7-11.7 Violated in 5 structures by 0.04 A. Peak 11122 from cnoeabs.peaks (2.16, 1.25, 21.44 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.88: HB2 GLN 85 + QG2 THR 108 OK 88 90 100 99 3.9-5.7 3.0/10030=87...(5) Violated in 1 structures by 0.02 A. Peak 11123 from cnoeabs.peaks (8.11, 2.73, 43.69 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: H ALA 113 + HB3 ASP 109 OK 99 99 100 99 3.5-5.8 709/10402=92...(9) H VAL 117 - HB3 ASP 109 far 0 97 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 11124 from cnoeabs.peaks (0.81, 2.02, 28.50 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 114 + HB3 GLU 111 OK 96 96 100 100 2.5-5.4 11422/3.0=65, ~11423=63...(12) Violated in 0 structures by 0.00 A. Peak 11125 from cnoeabs.peaks (8.04, 1.41, 18.60 ppm; 5.67 A): 2 out of 4 assignments used, quality = 0.99: H ASP 109 + QB ALA 113 OK 98 100 100 98 4.5-5.2 10354/10898=80...(11) H ARG 118 + QB ALA 113 OK 40 92 50 87 6.9-7.5 745/10522=70...(5) H THR 9 - QB ALA 113 poor 18 96 65 29 6.7-7.6 4.0/9109=16, 1065/10755=14 H VAL 22 - QB ALA 113 far 0 100 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 11126 from cnoeabs.peaks (0.61, 3.71, 57.67 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.97: QD1 ILE 18 + HA LEU 114 OK 97 98 100 99 2.3-3.7 10524/10515=72...(13) QD1 ILE 5 - HA LEU 114 far 0 70 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 11127 from cnoeabs.peaks (2.08, 1.74, 40.94 ppm; 5.28 A): 2 out of 7 assignments used, quality = 0.74: HB3 GLU 69 + HB2 LEU 68 OK 52 62 100 83 5.7-6.3 1455/4.6=72, ~11489=23 HB2 GLU 111 + HB2 LEU 114 OK 46 61 75 100 4.7-7.8 3.0/8238=95, ~8241=62...(12) HB2 GLU 112 - HB2 LEU 114 poor 20 99 20 - 6.5-9.1 HB3 GLU 66 - HB2 LEU 68 poor 19 53 35 - 6.4-8.1 HB3 GLU 112 - HB2 LEU 114 far 10 100 10 - 6.6-8.6 HB2 GLU 13 - HB2 LEU 114 far 0 73 0 - 6.8-10.0 HG2 GLU 119 - HB2 LEU 114 far 0 99 0 - 8.6-11.3 Violated in 10 structures by 0.16 A. Peak 11128 from cnoeabs.peaks (2.09, 1.40, 40.94 ppm; 4.60 A): 2 out of 7 assignments used, quality = 0.85: HG3 GLU 21 + HB3 LEU 114 OK 66 73 100 90 1.9-5.3 3.0/11224=43, ~10446=37...(9) HG2 GLU 21 + HB3 LEU 114 OK 56 65 95 90 2.3-6.5 3.0/11224=43, ~10446=37...(9) HB2 GLU 111 - HB3 LEU 114 poor 18 90 20 - 5.3-7.9 HB3 GLU 112 - HB3 LEU 114 far 0 99 0 - 6.6-8.7 HB2 GLU 112 - HB3 LEU 114 far 0 99 0 - 6.9-9.1 HG2 GLU 119 - HB3 LEU 114 far 0 87 0 - 8.7-11.7 HB3 MET 121 - HB3 LEU 114 far 0 90 0 - 9.8-11.8 Violated in 3 structures by 0.02 A. Peak 11129 from cnoeabs.peaks (2.08, 1.65, 26.77 ppm; 4.80 A): 4 out of 11 assignments used, quality = 0.76: HB2 GLU 87 + HG LEU 90 OK 38 41 95 99 4.4-6.4 10056/2.1=54, ~11493=52...(10) HB2 LYS 94 + HG LEU 90 OK 33 69 50 95 3.7-9.0 3.9/10096=62, ~10101=53...(11) HB3 GLU 112 + HG LEU 114 OK 28 97 40 72 5.8-9.3 3.0/11466=43...(6) HB2 GLU 112 + HG LEU 114 OK 20 96 30 70 5.6-9.5 3.0/11466=43...(6) HB3 GLU 91 - HG LEU 90 poor 18 68 40 67 5.5-8.1 5829/570=53, ~11569=20, ~8195=12 HB2 GLU 13 - HG LEU 114 far 9 87 10 - 5.9-8.6 HB3 GLU 66 - HG LEU 64 far 0 54 0 - 7.5-9.9 HB3 GLU 112 - HG LEU 90 far 0 68 0 - 9.0-12.3 HB3 PHE 79 - HG LEU 64 far 0 87 0 - 9.4-11.1 HG2 GLU 119 - HG LEU 114 far 0 100 0 - 9.6-12.0 HB3 GLU 69 - HG LEU 64 far 0 67 0 - 9.7-11.8 Violated in 12 structures by 0.08 A. Peak 11130 from cnoeabs.peaks (0.68, 1.30, 24.91 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 116 + HG3 LYS 115 OK 100 100 100 100 3.1-6.1 1765/730=81, ~11193=77...(13) QD2 LEU 114 + HG3 LYS 115 OK 74 97 85 90 5.6-7.9 7886/1754=78...(8) Violated in 0 structures by 0.00 A. Peak 11131 from cnoeabs.peaks (0.66, 1.56, 24.91 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 114 + HG2 LYS 115 OK 90 96 100 94 4.4-7.5 4.9/1753=88...(8) QD1 ILE 116 + HG2 LYS 115 OK 65 65 100 100 2.0-5.6 2.1/11193=94, 4.7/729=91...(14) QD1 ILE 71 - HG2 LYS 65 far 0 66 0 - 7.7-9.9 QD1 ILE 56 - HG2 LYS 65 far 0 73 0 - 8.0-12.5 Violated in 0 structures by 0.00 A. Peak 11132 from cnoeabs.peaks (0.68, 1.66, 29.55 ppm; 4.48 A): 5 out of 11 assignments used, quality = 0.94: QD1 ILE 116 + HD2 LYS 115 OK 64 100 75 86 2.0-7.1 ~11193=34, 10499/3.7=27...(11) QD1 ILE 116 + HD3 LYS 115 OK 55 99 65 85 2.7-7.5 ~11193=34, 10499/3.7=27...(10) QG2 ILE 97 + HD2 LYS 65 OK 35 97 55 65 3.5-9.4 ~10981=33, 3.0/10128=18...(7) QG2 ILE 97 + HD3 LYS 65 OK 34 94 55 65 4.1-9.2 ~10981=33, 3.0/10128=20...(6) QD2 LEU 114 + HD2 LYS 115 OK 20 97 30 70 4.3-8.7 7886/6.0=30...(12) QD2 LEU 114 - HD3 LYS 115 poor 16 96 25 65 4.3-8.5 7886/6.0=30...(10) QG2 ILE 56 - HD2 LYS 65 far 0 67 0 - 8.9-11.2 QD1 ILE 56 - HD2 LYS 65 far 0 71 0 - 9.0-14.0 QG2 ILE 56 - HD3 LYS 65 far 0 63 0 - 9.2-11.4 QD1 ILE 56 - HD3 LYS 65 far 0 67 0 - 9.3-14.4 QD1 LEU 55 - HD2 LYS 115 far 0 97 0 - 9.9-14.0 Violated in 2 structures by 0.04 A. Peak 11133 from cnoeabs.peaks (1.96, 3.68, 60.85 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 29 + HA LYS 19 OK 100 100 100 100 4.5-5.8 2.1/11520=99...(7) HB3 GLU 21 - HA LYS 19 lone 1 65 70 1 5.7-7.4 Violated in 2 structures by 0.01 A. Peak 11135 from cnoeabs.peaks (5.63, 1.57, 27.37 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.98: HA LEU 55 + HG LEU 55 OK 98 98 100 100 2.3-3.7 4.3=100 HA LEU 55 - HG12 ILE 3 far 0 94 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 11136 from cnoeabs.peaks (1.47, 0.74, 26.63 ppm; 3.56 A): 2 out of 9 assignments used, quality = 0.76: HG12 ILE 7 + QD2 LEU 55 OK 52 94 70 79 3.1-6.4 ~11617=31, 2.1/2524=26...(9) HG12 ILE 57 + QD2 LEU 55 OK 49 96 95 54 2.3-5.5 1.8/11138=16...(12) HG3 ARG 30 - QD2 LEU 55 far 4 73 5 - 4.9-8.4 HG LEU 4 - QD2 LEU 55 far 0 70 0 - 5.4-9.5 HB3 LEU 6 - QD2 LEU 55 far 0 92 0 - 6.2-8.9 HG3 ARG 118 - QD2 LEU 55 far 0 77 0 - 6.5-11.0 HD2 LYS 53 - QD2 LEU 55 far 0 87 0 - 6.8-10.7 HG3 LYS 20 - QD2 LEU 55 far 0 96 0 - 7.7-10.9 HB3 LEU 38 - QD2 LEU 55 far 0 97 0 - 9.8-12.4 Violated in 7 structures by 0.18 A. Peak 11137 from cnoeabs.peaks (1.45, 0.68, 26.27 ppm; 2.91 A): 4 out of 21 assignments used, quality = 0.88: HG LEU 4 + QD2 LEU 4 OK 55 55 100 100 2.1-2.1 2.1=100 HB3 LEU 4 + QD2 LEU 4 OK 40 42 100 94 2.2-2.5 3.1=84, 3.8/1034=24...(11) HB2 LEU 4 + QD2 LEU 4 OK 40 42 100 94 2.1-3.2 3.1=84, 3.8/1034=24...(9) HG12 ILE 7 + QD1 LEU 55 OK 26 92 50 56 2.9-5.5 1.8/11557=20, ~11617=19...(7) HG12 ILE 57 - QD1 LEU 55 poor 13 90 50 29 2.4-7.4 11136/2.1=8, ~11138=6...(9) HB3 LEU 4 - QD1 LEU 55 far 0 87 0 - 4.8-7.4 HG3 ARG 30 - QD1 LEU 55 far 0 100 0 - 5.0-8.9 HG LEU 4 - QD1 LEU 55 far 0 100 0 - 5.2-8.9 HB2 LEU 74 - QD2 LEU 4 far 0 32 0 - 5.3-8.9 HG3 ARG 30 - QD2 LEU 4 far 0 55 0 - 5.3-8.5 HB2 LEU 4 - QD1 LEU 55 far 0 87 0 - 5.6-8.4 HG3 LYS 44 - QD2 LEU 4 far 0 44 0 - 5.6-9.5 HB3 LEU 6 - QD1 LEU 55 far 0 94 0 - 5.7-8.5 HB3 LEU 6 - QD2 LEU 4 far 0 48 0 - 7.3-8.9 HG12 ILE 57 - QD2 LEU 4 far 0 44 0 - 7.6-9.5 HG LEU 80 - QD1 LEU 55 far 0 96 0 - 8.1-11.2 HB3 LEU 38 - QD2 LEU 4 far 0 42 0 - 8.1-11.6 HG3 LYS 49 - QD2 LEU 4 far 0 48 0 - 9.0-13.5 HG12 ILE 7 - QD2 LEU 4 far 0 46 0 - 9.4-10.9 HG2 LYS 49 - QD2 LEU 4 far 0 48 0 - 9.4-13.6 HB3 LEU 38 - QD1 LEU 55 far 0 87 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 11138 from cnoeabs.peaks (0.85, 0.74, 26.63 ppm; 2.92 A): 4 out of 10 assignments used, quality = 0.98: QG2 VAL 22 + QD2 LEU 55 OK 91 99 100 91 1.7-3.7 11118=52, 10874/3.1=23...(13) QG2 ILE 5 + QD2 LEU 55 OK 61 94 80 82 2.8-4.6 ~10939=24, 11139/2.1=22...(19) HG13 ILE 57 + QD2 LEU 55 OK 42 94 95 47 2.8-4.5 1.8/11136=24...(10) QG2 ILE 57 + QD2 LEU 55 OK 23 92 60 43 2.4-5.1 3.2/11136=17...(12) HG13 ILE 5 - QD2 LEU 55 poor 18 99 25 71 2.4-6.9 ~10939=18, 1.8/11487=18...(13) QG2 VAL 117 - QD2 LEU 55 far 0 77 0 - 4.5-5.7 QG2 ILE 15 - QD2 LEU 55 far 0 100 0 - 4.7-6.6 QG2 THR 9 - QD2 LEU 55 far 0 84 0 - 5.8-7.2 QD1 LEU 14 - QD2 LEU 55 far 0 94 0 - 6.6-8.6 QG1 VAL 32 - QD2 LEU 55 far 0 70 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 11139 from cnoeabs.peaks (0.84, 0.68, 26.27 ppm; 2.78 A): 3 out of 13 assignments used, quality = 0.94: QG2 ILE 5 + QD1 LEU 55 OK 74 100 95 78 2.1-4.6 2.1/10939=40...(15) HG13 ILE 5 + QD1 LEU 55 OK 53 99 85 63 2.0-5.0 2.9/10939=33, ~11487=11...(12) QG2 VAL 22 + QD1 LEU 55 OK 51 84 80 76 1.9-5.2 11118/2.1=25...(11) QG2 ILE 57 - QD1 LEU 55 poor 20 100 20 - 3.4-6.2 HG13 ILE 57 - QD1 LEU 55 poor 10 65 40 37 1.9-6.9 ~11136=12, 11138/2.1=9...(9) QG2 ILE 15 - QD1 LEU 55 far 0 98 0 - 4.6-8.1 HG13 ILE 5 - QD2 LEU 4 far 0 53 0 - 4.8-8.1 QG2 ILE 5 - QD2 LEU 4 far 0 55 0 - 6.0-7.1 QG2 ILE 57 - QD2 LEU 4 far 0 55 0 - 7.1-9.6 QD1 LEU 14 - QD1 LEU 55 far 0 65 0 - 7.5-9.1 QG2 VAL 22 - QD2 LEU 4 far 0 40 0 - 7.9-10.5 HG13 ILE 57 - QD2 LEU 4 far 0 29 0 - 8.0-10.1 QD2 LEU 82 - QD1 LEU 55 far 0 73 0 - 8.4-11.0 Violated in 4 structures by 0.02 A. Peak 11141 from cnoeabs.peaks (8.44, 1.56, 27.38 ppm; 5.70 A): 1 out of 3 assignments used, quality = 0.94: H ILE 3 + HG12 ILE 3 OK 94 94 100 100 2.7-3.7 5.0=100 H VAL 32 - HG LEU 55 far 0 94 0 - 8.0-11.1 H ILE 3 - HG LEU 55 far 0 89 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 11142 from cnoeabs.peaks (9.18, 1.57, 27.37 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.99: H ILE 56 + HG LEU 55 OK 99 99 100 100 2.8-4.3 335=98, 7574/2.1=86...(11) Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 0.61: HD2 LYS 2 + HD3 LYS 2 OK 61 61 100 100 1.8-1.8 1.8=100 HG12 ILE 54 - HD3 LYS 2 far 15 97 15 - 4.3-11.2 HG13 ILE 7 - HG13 ILE 116 far 0 60 0 - 7.2-11.7 QG2 THR 108 - HG13 ILE 116 far 0 70 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 11146 from cnoeabs.peaks (2.76, 0.96, 28.80 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: HE2 LYS 2 + HD3 LYS 2 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 42 - HD3 LYS 2 far 0 99 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 11148 from cnoeabs.peaks (0.97, 1.26, 28.80 ppm; 3.30 A): 1 out of 5 assignments used, quality = 0.81: HD3 LYS 2 + HD2 LYS 2 OK 81 81 100 100 1.8-1.8 1.8=100 QD1 ILE 3 - HD2 LYS 2 far 5 99 5 - 4.5-8.5 QD1 ILE 3 - HD3 LYS 53 far 0 90 0 - 5.8-8.0 HD3 LYS 2 - HD3 LYS 53 far 0 70 0 - 7.3-11.5 HG13 ILE 56 - HD2 LYS 2 far 0 73 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 11149 from cnoeabs.peaks (2.87, 1.26, 28.80 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.97: HE3 LYS 2 + HD2 LYS 2 OK 97 97 100 100 2.3-3.0 3.0=100 HE3 LYS 2 - HD3 LYS 53 far 0 88 0 - 7.4-12.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.96: HE2 LYS 2 + HD2 LYS 2 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 2 - HD3 LYS 53 far 4 86 5 - 6.2-13.0 Violated in 0 structures by 0.00 A. Peak 11153 from cnoeabs.peaks (2.77, 2.88, 42.47 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.94: HE2 LYS 2 + HE3 LYS 2 OK 94 94 100 100 1.8-1.8 1.8=100 HG3 MET 42 - HE3 LYS 2 far 0 98 0 - 9.3-14.8 HB3 TYR 102 - HB2 ASN 8 far 0 52 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. 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 97 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 11155 from cnoeabs.peaks (1.26, 2.76, 42.47 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.99: HD2 LYS 2 + HE2 LYS 2 OK 99 99 100 100 2.3-3.0 3.0=100 HG12 ILE 54 - HE2 LYS 2 poor 9 97 35 26 2.9-12.3 11157/1.8=7, 3.2/11504=5...(7) HD3 LYS 53 - HE2 LYS 2 far 0 87 0 - 6.2-13.0 Violated in 0 structures by 0.00 A. Peak 11156 from cnoeabs.peaks (0.98, 2.76, 42.47 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.61: HD3 LYS 2 + HE2 LYS 2 OK 61 61 100 100 2.3-3.0 3.0=100 QD1 ILE 3 - HE2 LYS 2 far 9 92 10 - 5.0-9.6 Violated in 0 structures by 0.00 A. Peak 11157 from cnoeabs.peaks (1.26, 2.88, 42.47 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.99: HD2 LYS 2 + HE3 LYS 2 OK 99 99 100 100 2.3-3.0 3.0=100 HG3 LYS 61 - HB2 ASN 8 poor 20 80 25 - 4.9-9.4 HG12 ILE 54 - HE3 LYS 2 poor 12 97 45 27 3.5-13.3 11155/1.8=7, ~9469=6...(7) HG13 ILE 7 - HB2 ASN 8 far 0 79 0 - 6.5-8.0 HD3 LYS 53 - HE3 LYS 2 far 0 87 0 - 7.4-12.3 Violated in 0 structures by 0.00 A. Peak 11158 from cnoeabs.peaks (0.97, 2.88, 42.47 ppm; 4.40 A): 1 out of 4 assignments used, quality = 0.94: HD3 LYS 2 + HE3 LYS 2 OK 94 94 100 100 2.3-3.0 3.0=100 QD1 ILE 3 - HE3 LYS 2 far 10 100 10 - 4.0-9.6 HG13 ILE 56 - HE3 LYS 2 far 0 89 0 - 8.5-14.0 QD1 LEU 38 - HB2 ASN 8 far 0 74 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 11159 from cnoeabs.peaks (1.04, 2.88, 42.47 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.97: HG3 LYS 2 + HE3 LYS 2 OK 97 97 100 100 2.2-4.2 3.9=100 HG2 LYS 61 - HB2 ASN 8 poor 15 60 25 - 4.7-9.4 HB2 PHE 79 - HB2 ASN 8 far 0 80 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 3.9=100 Violated in 0 structures by 0.00 A. 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 96 100 100 2.1-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 11164 from cnoeabs.peaks (2.76, 1.03, 25.52 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: HE2 LYS 2 + HG3 LYS 2 OK 98 98 100 100 2.3-4.2 3.9=100 HG3 MET 42 - HG3 LYS 2 far 0 99 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. 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 97 100 100 2.2-4.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 11166 from cnoeabs.peaks (4.52, 1.03, 25.52 ppm; 5.11 A): 0 out of 0 assignments used, quality = 0.00: Peak 11167 from cnoeabs.peaks (4.51, 1.07, 25.52 ppm; 5.06 A): 0 out of 0 assignments used, quality = 0.00: Peak 11168 from cnoeabs.peaks (6.88, 4.34, 58.95 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.98: H TYR 102 + HA GLU 98 OK 98 99 100 99 2.5-5.9 10166=98, 4.6/10159=46 Violated in 6 structures by 0.10 A. Peak 11183 from cnoeabs.peaks (0.89, 2.95, 41.78 ppm; 3.88 A): 4 out of 11 assignments used, quality = 0.99: QD1 LEU 90 + HE2 LYS 106 OK 72 87 95 87 2.1-5.5 11568/3.6=45, 11572=29...(17) QD2 LEU 90 + HE3 LYS 106 OK 69 94 85 87 2.6-5.7 2.1/11572=30...(18) QD1 LEU 90 + HE3 LYS 106 OK 68 87 90 88 2.0-5.6 11568/3.6=45, 11572=29...(17) QD2 LEU 90 + HE2 LYS 106 OK 61 94 75 87 3.1-5.7 2.1/11572=29...(19) QG2 VAL 29 - HE2 LYS 20 far 4 75 5 - 5.3-10.9 QG2 VAL 29 - HE3 LYS 20 far 0 75 0 - 5.4-10.7 QG2 VAL 104 - HE2 LYS 106 far 0 97 0 - 5.7-9.4 QD2 LEU 38 - HE3 LYS 40 far 0 68 0 - 6.0-9.5 QG2 VAL 104 - HE3 LYS 106 far 0 97 0 - 6.2-9.5 QD1 LEU 70 - HE3 LYS 40 far 0 45 0 - 7.3-10.6 QD2 LEU 70 - HE3 LYS 40 far 0 53 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 11185 from cnoeabs.peaks (1.61, 0.87, 20.76 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.73: HB ILE 116 + QG2 VAL 107 OK 73 73 100 100 3.8-6.0 3.2/11417=90...(17) HB2 LEU 82 - QG2 VAL 107 far 5 97 5 - 6.5-7.7 HG LEU 82 - QG2 VAL 107 far 0 73 0 - 7.7-8.9 Violated in 4 structures by 0.09 A. Peak 11186 from cnoeabs.peaks (1.62, 0.76, 21.72 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.92: HB ILE 116 + QG1 VAL 107 OK 83 87 100 96 3.6-4.9 11185/2.1=45, ~11417=34...(16) HB2 LEU 82 + QG1 VAL 107 OK 50 100 90 56 4.2-5.6 9975/10311=21...(9) Violated in 7 structures by 0.10 A. Peak 11187 from cnoeabs.peaks (0.03, 0.76, 21.72 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.65: QG2 ILE 116 + QG1 VAL 107 OK 65 65 100 100 3.4-5.1 ~11417=85, ~11185=77...(20) Violated in 0 structures by 0.00 A. Peak 11188 from cnoeabs.peaks (2.35, 4.22, 69.97 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.61: HG2 GLN 83 + HB THR 108 OK 61 65 100 93 5.1-6.9 ~10001=70, 10000/3.0=51...(4) HG2 GLU 112 - HB THR 108 poor 5 70 35 21 6.7-9.4 11465/11189=19 HG3 GLU 112 - HB THR 108 poor 5 73 30 21 6.9-9.6 11465/11189=19 Violated in 1 structures by 0.03 A. Peak 11189 from cnoeabs.peaks (0.87, 4.22, 69.97 ppm; 5.22 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 107 + HB THR 108 OK 99 99 100 100 4.0-5.5 10354/693=90...(9) QD2 LEU 90 + HB THR 108 OK 26 92 70 40 5.5-7.3 10322/2.1=35, 10029/6559=7 QD1 LEU 14 - HB THR 108 far 0 84 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 11190 from cnoeabs.peaks (2.12, 4.22, 69.97 ppm; 6.15 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 83 + HB THR 108 OK 99 99 100 100 5.4-7.0 10001/3.0=87, ~10000=73...(6) HB VAL 107 + HB THR 108 OK 99 99 100 100 6.2-7.6 7857/1717=88, ~10323=81...(6) Violated in 11 structures by 0.05 A. Peak 11191 from cnoeabs.peaks (7.20, 2.74, 38.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.87: HE22 GLN 83 + HB3 ASN 11 OK 67 100 100 67 2.8-6.7 10759/3.5=33, ~10759=22...(5) HE21 GLN 83 + HB3 ASN 11 OK 60 100 100 60 3.8-7.5 ~10759=35, 10759/3.5=21...(4) Violated in 1 structures by 0.00 A. Peak 11192 from cnoeabs.peaks (1.65, 3.99, 59.36 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.98: HG LEU 114 + HA GLU 111 OK 98 99 100 99 1.9-5.2 2.1/11422=65...(12) HD2 LYS 115 - HA GLU 111 poor 12 94 30 42 3.3-8.8 10397/3.6=10...(10) HD3 LYS 115 - HA GLU 111 poor 10 87 30 39 3.8-8.3 10397/3.6=10...(10) HB ILE 116 - HA GLU 111 far 0 70 0 - 8.2-9.4 Violated in 7 structures by 0.35 A. Peak 11193 from cnoeabs.peaks (0.98, 1.56, 24.91 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.83: HG13 ILE 116 + HG2 LYS 115 OK 83 87 100 96 2.6-5.6 4.5/729=79, ~11130=28...(9) Violated in 3 structures by 0.03 A. Peak 11194 from cnoeabs.peaks (3.79, 0.97, 28.89 ppm; 6.18 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 113 + HG13 ILE 116 OK 94 94 100 100 2.1-4.7 10413=89, 8252/2.9=89...(21) HA LYS 115 + HG13 ILE 116 OK 94 94 100 100 5.1-7.1 3.6/1764=97...(11) Violated in 0 structures by 0.00 A. Peak 11195 from cnoeabs.peaks (0.76, 3.26, 67.50 ppm; 3.69 A): 1 out of 6 assignments used, quality = 0.79: QD1 ILE 7 + HA VAL 117 OK 79 92 95 90 3.2-5.5 11584/3.2=59, ~11618=29...(10) QG2 ILE 7 - HA VAL 117 poor 17 84 20 - 5.0-6.2 QG1 VAL 107 - HA VAL 117 far 0 98 0 - 6.8-8.0 QD1 LEU 80 - HA VAL 117 far 0 65 0 - 7.4-9.2 QD2 LEU 80 - HA VAL 117 far 0 61 0 - 7.4-9.4 QD2 LEU 14 - HA VAL 117 far 0 98 0 - 9.6-10.4 Violated in 15 structures by 0.49 A. Peak 11196 from cnoeabs.peaks (7.66, 1.48, 28.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: HE ARG 118 + HG3 ARG 118 OK 99 99 100 100 2.3-3.6 3.9=100 H GLU 21 - HG3 ARG 118 lone 1 100 30 4 5.7-12.0 ~11324=2 Violated in 0 structures by 0.00 A. Peak 11197 from cnoeabs.peaks (7.67, 1.73, 28.01 ppm; 5.93 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 118 + HG2 ARG 118 OK 100 100 100 100 2.2-4.0 3.9=100 H GLU 21 - HG2 ARG 118 poor 20 100 20 - 5.9-11.5 Violated in 0 structures by 0.00 A. Peak 11198 from cnoeabs.peaks (7.91, 1.73, 28.01 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.84: H GLU 119 + HG2 ARG 118 OK 84 84 100 100 2.1-4.4 3.6/6855=96, 4.6/6875=81...(9) Violated in 0 structures by 0.00 A. Peak 11199 from cnoeabs.peaks (0.03, 2.11, 28.96 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 116 + HB3 GLU 119 OK 94 94 100 100 4.3-5.4 10545/4.0=58...(17) QG2 ILE 116 + HB2 GLU 119 OK 92 92 100 100 3.3-4.1 10545/4.0=58...(18) Violated in 0 structures by 0.00 A. Peak 11200 from cnoeabs.peaks (0.69, 2.08, 36.01 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.50: QD1 ILE 116 + HG2 GLU 119 OK 50 99 55 93 4.5-7.5 4.1/10549=57...(8) QD2 LEU 114 - HG2 GLU 119 far 0 77 0 - 8.3-11.0 QD1 LEU 55 - HG2 GLU 119 far 0 100 0 - 9.2-12.1 Violated in 13 structures by 0.97 A. Peak 11201 from cnoeabs.peaks (0.69, 2.11, 28.96 ppm; 4.40 A): 2 out of 9 assignments used, quality = 0.62: QD1 ILE 116 + HB2 GLU 119 OK 41 90 55 83 4.3-6.7 11200/3.0=49...(8) QD1 ILE 116 + HB3 GLU 119 OK 35 92 45 84 5.3-7.8 11200/3.0=49...(8) QD2 LEU 81 - HB2 GLU 119 far 0 71 0 - 7.0-7.7 QD2 LEU 114 - HB2 GLU 119 far 0 56 0 - 7.9-10.6 QD1 LEU 55 - HB2 GLU 119 far 0 97 0 - 8.3-11.2 QD2 LEU 81 - HB3 GLU 119 far 0 73 0 - 8.3-9.1 QD1 LEU 55 - HB3 GLU 119 far 0 98 0 - 8.9-12.2 QD2 LEU 114 - HB3 GLU 119 far 0 57 0 - 9.2-12.0 QG2 ILE 97 - HB3 GLU 92 far 0 86 0 - 9.4-11.3 Violated in 16 structures by 0.82 A. Peak 11202 from cnoeabs.peaks (3.04, 2.08, 36.01 ppm; 5.15 A): 0 out of 0 assignments used, quality = 0.00: Peak 11203 from cnoeabs.peaks (3.02, 2.46, 36.01 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: HE3 LYS 123 - HG3 GLU 119 poor 17 87 35 56 4.6-10.5 ~11213=21, 11213/3.0=20...(5) HE2 LYS 123 - HG3 GLU 119 poor 16 96 30 56 4.4-10.6 ~11213=21, 11213/3.0=21...(5) Violated in 14 structures by 1.36 A. Peak 11205 from cnoeabs.peaks (8.41, 1.75, 29.29 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.96: H LYS 123 + HD3 LYS 123 OK 96 96 100 100 4.3-4.4 3.7/7130=95, 3.7/7129=95...(10) Violated in 0 structures by 0.00 A. Peak 11206 from cnoeabs.peaks (8.40, 1.84, 29.29 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.99: H LYS 123 + HD2 LYS 123 OK 99 99 100 100 4.4-4.5 3.7/7083=100...(12) Violated in 0 structures by 0.00 A. Peak 11207 from cnoeabs.peaks (7.10, 1.75, 29.29 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 79 + HD3 LYS 123 OK 100 100 100 100 3.8-4.6 4653=86, 11210/1.8=84...(6) Violated in 0 structures by 0.00 A. Peak 11208 from cnoeabs.peaks (6.99, 1.75, 29.29 ppm; 6.19 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 79 + HD3 LYS 123 OK 100 100 100 100 5.1-6.3 2.2/11207=97, ~11210=84...(7) Violated in 1 structures by 0.01 A. Peak 11209 from cnoeabs.peaks (6.78, 1.75, 29.29 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.83: QD PHE 120 + HD3 LYS 123 OK 83 84 100 99 4.2-5.4 11212/1.8=81, 4705=68...(5) Violated in 0 structures by 0.00 A. Peak 11210 from cnoeabs.peaks (7.10, 1.84, 29.29 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 79 + HD2 LYS 123 OK 100 100 100 100 2.1-3.1 4653/1.8=90...(7) Violated in 0 structures by 0.00 A. Peak 11211 from cnoeabs.peaks (6.98, 1.84, 29.29 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.96: HZ PHE 79 + HD2 LYS 123 OK 96 96 100 100 3.7-5.1 2.2/11210=99...(7) QD TYR 102 - HD2 LYS 123 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 11212 from cnoeabs.peaks (6.77, 1.84, 29.29 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.69: QD PHE 120 + HD2 LYS 123 OK 69 70 100 99 3.2-4.4 11209/1.8=84...(6) Violated in 0 structures by 0.00 A. Peak 11213 from cnoeabs.peaks (2.11, 3.01, 41.78 ppm; 4.17 A): 0 out of 12 assignments used, quality = 0.00: HB2 GLU 91 - HE2 LYS 94 poor 9 47 20 - 4.9-8.7 HB3 GLU 119 - HE2 LYS 123 poor 8 94 30 27 2.3-7.7 ~11203=13, 3.0/11203=12...(5) HB3 GLU 119 - HE3 LYS 123 poor 8 97 30 26 2.5-7.8 3.0/11203=13, ~11203=12...(4) HB2 GLU 119 - HE2 LYS 123 poor 7 89 30 27 2.8-9.1 ~11203=13, 3.0/11203=12...(5) HB2 GLU 119 - HE3 LYS 123 poor 7 92 30 26 3.2-9.0 3.0/11203=13, ~11203=12...(4) HB2 GLU 87 - HE2 LYS 94 far 3 63 5 - 5.4-11.3 HB3 GLU 47 - HE2 LYS 49 far 0 95 0 - 7.1-12.2 HB3 GLU 47 - HE3 LYS 49 far 0 95 0 - 7.2-12.5 HB VAL 107 - HE2 LYS 94 far 0 73 0 - 8.0-12.8 HB3 GLU 92 - HE2 LYS 94 far 0 83 0 - 8.2-11.7 HG2 GLU 52 - HE2 LYS 49 far 0 90 0 - 8.9-17.8 HG2 GLU 52 - HE3 LYS 49 far 0 90 0 - 9.3-17.5 Violated in 14 structures by 0.65 A. Peak 11214 from cnoeabs.peaks (2.58, 1.01, 25.52 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.94: HE3 LYS 77 + QD1 LEU 127 OK 94 94 100 100 1.8-3.8 1.8/11215=89, 11282=82...(19) HG3 MET 1 - QD1 LEU 127 far 10 70 15 - 4.8-11.0 Violated in 0 structures by 0.00 A. Peak 11215 from cnoeabs.peaks (2.83, 1.01, 25.52 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.94: HE2 LYS 77 + QD1 LEU 127 OK 94 94 100 100 2.0-4.7 1.8/11214=71, 11283=61...(20) HB3 TYR 76 - QD1 LEU 127 far 12 81 15 - 6.2-8.7 Violated in 0 structures by 0.00 A. Peak 11216 from cnoeabs.peaks (1.68, 2.36, 36.01 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.20: HD2 LYS 17 + HG2 GLU 13 OK 20 99 70 29 3.8-7.1 2860/66=20, 6.3/7351=11 HD2 LYS 16 - HG2 GLU 13 poor 19 94 20 - 4.8-9.2 HD3 LYS 16 - HG2 GLU 13 far 4 87 5 - 3.6-8.6 HD3 LYS 20 - HG2 GLU 13 far 0 92 0 - 9.6-13.0 Violated in 18 structures by 1.24 A. Peak 11217 from cnoeabs.peaks (1.60, 3.84, 60.17 ppm; 3.53 A): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HA LYS 16 OK 93 100 100 93 2.4-4.4 3.0/7991=59, 3.0/7989=53...(7) HD2 LYS 19 + HA LYS 16 OK 88 99 100 89 2.0-4.6 3.6/7991=49, 3.6/7989=45...(8) HD3 LYS 19 + HA LYS 16 OK 88 99 100 89 1.9-5.0 3.6/7991=49, 3.6/7989=45...(9) Violated in 0 structures by 0.00 A. Peak 11218 from cnoeabs.peaks (0.80, 2.90, 41.78 ppm; 4.02 A): 1 out of 10 assignments used, quality = 0.84: QD1 LEU 114 + HE3 LYS 17 OK 84 99 100 85 1.9-4.3 11515/2.9=39, ~10919=34...(8) QD1 LEU 114 - HE3 LYS 115 poor 17 84 20 - 3.2-10.1 QD1 LEU 114 - HE2 LYS 115 poor 6 84 25 28 3.3-9.8 4.9/1757=12, 10806/4.8=5...(7) QD1 LEU 81 - HE3 LYS 115 far 4 72 5 - 5.1-9.1 QD1 LEU 81 - HE2 LYS 115 far 4 72 5 - 5.4-8.7 QG1 VAL 29 - HE3 LYS 16 far 0 83 0 - 6.7-10.1 QG1 VAL 29 - HE2 LYS 16 far 0 83 0 - 7.1-10.2 QD1 LEU 114 - HE2 LYS 16 far 0 80 0 - 8.7-12.2 QD1 LEU 114 - HE3 LYS 16 far 0 80 0 - 9.2-12.6 QD1 LEU 81 - HE3 LYS 17 far 0 90 0 - 9.3-11.4 Violated in 3 structures by 0.02 A. Peak 11220 from cnoeabs.peaks (3.84, 1.59, 29.87 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 16 + HD2 LYS 19 OK 98 99 100 99 2.0-4.6 7991/3.6=74, 7989/3.6=69...(10) HA LYS 16 + HD3 LYS 19 OK 98 99 100 99 1.9-5.0 7991/3.6=74, 7989/3.6=69...(10) Violated in 0 structures by 0.00 A. Peak 11221 from cnoeabs.peaks (1.04, 2.76, 42.47 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: HG3 LYS 2 + HE2 LYS 2 OK 100 100 100 100 2.3-4.2 3.9=100 HG13 ILE 71 - HE2 LYS 2 far 0 73 0 - 8.8-13.6 Violated in 1 structures by 0.00 A. Peak 11222 from cnoeabs.peaks (1.87, 2.76, 42.47 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.66: HG LEU 45 + HE2 LYS 2 OK 66 96 70 99 4.5-10.1 ~9437=84, 2.1/11504=51...(7) QE MET 42 - HE2 LYS 2 poor 19 96 50 40 5.6-11.6 9431/9439=22...(3) Violated in 13 structures by 1.01 A. Peak 11224 from cnoeabs.peaks (1.40, 1.97, 29.43 ppm; 5.89 A): 1 out of 3 assignments used, quality = 0.98: HB3 LEU 114 + HB3 GLU 21 OK 98 100 100 98 3.7-6.8 3.1/10446=69...(10) QB ALA 113 - HB3 GLU 21 far 0 90 0 - 7.5-9.2 HG3 LYS 16 - HB3 GLU 21 far 0 100 0 - 9.8-13.3 Violated in 4 structures by 0.07 A. Peak 11225 from cnoeabs.peaks (0.10, 4.43, 58.05 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.97: HB2 LYS 53 + HA TYR 27 OK 97 98 100 99 2.5-5.8 1.8/11226=96...(3) Violated in 2 structures by 0.04 A. Peak 11226 from cnoeabs.peaks (1.13, 4.43, 58.05 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.81: HB3 LYS 53 + HA TYR 27 OK 81 100 90 90 2.6-6.9 9465=64, 1.8/11225=55 Violated in 10 structures by 0.61 A. Peak 11227 from cnoeabs.peaks (0.74, 1.98, 29.83 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.99: QD2 LEU 55 + HB VAL 22 OK 99 100 100 99 2.0-4.8 2.1/11246=69...(11) QG1 VAL 117 + HB VAL 22 OK 26 70 95 39 4.7-6.4 ~3166=14, 11117/2.1=11...(6) HG13 ILE 18 - HB VAL 22 far 0 94 0 - 6.2-8.8 QG2 ILE 54 - HB VAL 22 far 0 96 0 - 7.0-9.5 QG2 ILE 7 - HB VAL 22 far 0 98 0 - 7.3-9.2 Violated in 1 structures by 0.00 A. Peak 11229 from cnoeabs.peaks (2.90, 2.73, 36.55 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.75: HB2 ASP 34 + HG3 GLU 37 OK 68 87 100 79 2.0-4.8 4.0/9355=52...(5) HB2 ASN 33 + HG3 GLU 37 OK 22 84 30 86 5.2-7.6 4.6/9355=47, 4.0/9354=44...(6) Violated in 0 structures by 0.00 A. Peak 11230 from cnoeabs.peaks (1.89, 3.91, 59.13 ppm; 4.49 A): 1 out of 6 assignments used, quality = 0.96: QE MET 67 + HA LEU 38 OK 96 97 100 99 2.8-4.9 9724/11003=66...(11) HB2 LEU 63 - HA LEU 38 far 0 73 0 - 6.9-8.0 HB3 LYS 44 - HA LEU 38 far 0 61 0 - 7.0-9.4 HG LEU 45 - HA LEU 38 far 0 99 0 - 7.9-9.7 HB3 LYS 43 - HA LEU 38 far 0 81 0 - 9.0-9.5 HB ILE 71 - HA LEU 38 far 0 94 0 - 9.6-12.3 Violated in 1 structures by 0.02 A. Peak 11231 from cnoeabs.peaks (2.21, 1.52, 27.18 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.92: HB2 MET 67 + HG LEU 38 OK 92 92 100 100 3.0-6.9 ~10991=69, ~9711=57...(15) HB2 GLU 69 - HG LEU 38 far 0 87 0 - 7.5-9.7 Violated in 1 structures by 0.06 A. Peak 11232 from cnoeabs.peaks (1.88, 1.46, 41.07 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.99: QE MET 67 + HB3 LEU 38 OK 95 100 100 95 2.0-4.3 9724/10930=43...(16) HB2 LEU 63 + HB3 LEU 38 OK 81 97 85 99 4.8-6.1 ~11261=32, 11259/3.1=32...(19) QE MET 42 - HB3 LEU 38 poor 18 87 25 83 3.9-7.0 ~10993=21, ~10992=20...(12) HB ILE 71 - HB3 LEU 38 far 0 65 0 - 9.0-11.8 HG LEU 45 - HB3 LEU 38 far 0 99 0 - 9.2-11.4 Violated in 1 structures by 0.01 A. Peak 11233 from cnoeabs.peaks (4.51, 2.98, 41.78 ppm; 6.20 A): 4 out of 6 assignments used, quality = 1.00: HA ASP 36 + HE3 LYS 39 OK 93 94 100 99 2.0-7.6 10934/3.6=50...(10) HA ASP 36 + HE2 LYS 39 OK 93 93 100 99 2.2-6.2 10934/3.6=50...(10) HA ASP 36 + HE2 LYS 40 OK 35 59 100 59 3.7-7.1 2041/7.5=41...(6) HA ASP 36 + HE3 LYS 40 OK 24 49 90 55 4.1-7.8 2041/7.5=41, 2035/3638=8...(6) HA ASP 36 - HE2 LYS 43 far 5 94 5 - 7.0-11.4 HA ASP 36 - HE3 LYS 43 far 4 87 5 - 7.4-12.5 Violated in 0 structures by 0.00 A. Peak 11235 from cnoeabs.peaks (1.25, 0.64, 25.46 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.96: HG12 ILE 54 + QD1 LEU 4 OK 82 98 85 98 3.6-7.1 3.0/10735=67...(14) HD2 LYS 2 + QD1 LEU 4 OK 79 98 95 85 2.0-6.3 9469=63, 4626/4631=39...(7) HD3 LYS 53 - QD1 LEU 4 far 0 84 0 - 6.0-9.8 HG13 ILE 7 - QD1 LEU 4 far 0 100 0 - 8.6-10.8 Violated in 2 structures by 0.04 A. Peak 11236 from cnoeabs.peaks (0.67, 1.95, 28.25 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.98: QD1 ILE 56 + HB3 GLU 41 OK 88 98 100 90 2.9-5.2 9402/3.0=76...(7) QD1 ILE 56 + HB2 GLU 41 OK 87 98 100 88 3.2-6.0 9402/3.0=76...(5) QD2 LEU 4 - HB3 GLU 41 lone 13 90 95 16 4.9-8.3 10737/3806=8, 7314/4.7=3...(4) QD1 ILE 71 - HB3 GLU 41 lone 10 84 95 12 4.2-8.0 11630/3806=10 QD1 ILE 71 - HB2 GLU 41 lone 9 84 95 12 5.5-7.9 11630/3806=10 QD2 LEU 4 - HB2 GLU 41 lone 7 89 60 13 6.3-9.8 10737/3806=7, 7314/4.7=3 QD1 LEU 55 - HB3 GLU 41 far 3 70 5 - 7.6-10.9 QD1 LEU 55 - HB2 GLU 41 far 0 69 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 11237 from cnoeabs.peaks (1.92, 2.50, 36.27 ppm; 4.72 A): 2 out of 5 assignments used, quality = 0.65: HB3 LYS 44 + HG3 GLU 47 OK 42 77 55 98 4.2-7.2 3.0/11350=74, ~8090=45...(7) HB2 LYS 44 + HG3 GLU 47 OK 41 92 45 98 4.3-7.2 3.0/11350=74, ~8090=45...(7) HB2 LYS 43 - HG3 GLU 47 poor 18 81 100 23 4.2-6.2 3902/11350=12, ~11238=10 HB2 LEU 45 - HG3 GLU 47 far 10 70 15 - 5.7-7.7 HB2 LYS 39 - HG3 GLU 47 far 0 84 0 - 8.7-11.4 Violated in 14 structures by 0.79 A. Peak 11238 from cnoeabs.peaks (1.90, 2.29, 36.27 ppm; 4.12 A): 2 out of 8 assignments used, quality = 0.41: HB3 LYS 44 + HG2 GLU 47 OK 25 94 30 89 4.4-8.5 ~11350=39, ~8090=32...(7) HB2 LYS 44 + HG2 GLU 47 OK 22 81 30 89 4.2-8.5 ~11350=39, ~8090=32...(7) HB3 LYS 43 - HG2 GLU 47 lone 8 99 65 12 3.3-6.6 ~11237=8, 9462/1306=3 HB2 LYS 49 - HG2 GLU 47 far 5 100 5 - 5.2-11.5 HB2 LYS 43 - HG2 GLU 47 lone 2 92 50 4 4.3-7.9 9462/1306=2, 11237/1.8=2 HB2 LEU 45 - HG2 GLU 47 far 0 97 0 - 5.9-8.4 HG LEU 45 - HG2 GLU 47 far 0 77 0 - 6.2-9.6 HB2 ARG 95 - HG3 GLU 87 far 0 68 0 - 9.9-14.7 Violated in 17 structures by 1.72 A. Peak 11239 from cnoeabs.peaks (1.55, 2.50, 36.27 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 46 + HG3 GLU 47 OK 98 100 100 98 3.3-3.9 9457=78, 11240/1.8=72...(4) Violated in 0 structures by 0.00 A. Peak 11240 from cnoeabs.peaks (1.55, 2.29, 36.27 ppm; 4.18 A): 1 out of 10 assignments used, quality = 0.98: QB ALA 46 + HG2 GLU 47 OK 98 100 100 99 3.0-4.2 11239/1.8=80, 9458=72...(4) HD2 LYS 106 - HG3 GLU 87 far 2 48 5 - 5.3-9.3 HD3 LYS 106 - HG2 GLU 87 far 2 45 5 - 5.4-10.7 HG2 LYS 115 - HG2 GLU 111 far 2 38 5 - 5.4-10.4 HD3 LYS 106 - HG3 GLU 87 far 0 45 0 - 5.7-10.2 HD2 LYS 106 - HG2 GLU 87 far 0 48 0 - 6.3-10.2 HD3 LYS 94 - HG3 GLU 87 far 0 57 0 - 6.4-12.6 HD2 LYS 94 - HG3 GLU 87 far 0 57 0 - 7.1-12.5 HD3 LYS 94 - HG2 GLU 87 far 0 57 0 - 8.1-13.4 HD2 LYS 94 - HG2 GLU 87 far 0 57 0 - 8.5-13.1 Violated in 6 structures by 0.00 A. Peak 11242 from cnoeabs.peaks (6.78, 0.85, 27.65 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: QD TYR 27 + HG13 ILE 5 OK 99 99 100 100 2.9-5.5 ~9056=88, ~9229=87...(25) QD PHE 120 + HG13 ILE 5 OK 97 97 100 100 4.6-6.5 4709/2.1=94, 4707/3.2=94...(26) QD TYR 27 - HG13 ILE 57 poor 16 65 25 - 6.9-9.0 QD PHE 120 - HG13 ILE 57 far 0 63 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 11243 from cnoeabs.peaks (1.80, 1.09, 24.59 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.93: HB ILE 3 + HG2 LYS 53 OK 90 100 90 100 2.3-7.9 9001/4.1=81...(11) HG12 ILE 5 + HG2 LYS 53 OK 36 100 55 66 5.6-9.9 9052/4594=37...(4) Violated in 5 structures by 0.14 A. Peak 11244 from cnoeabs.peaks (1.82, 0.94, 24.59 ppm; 4.39 A): 1 out of 5 assignments used, quality = 0.37: HB ILE 3 + HG3 LYS 53 OK 37 65 70 80 2.2-7.5 10802/319=27...(9) QE MET 121 - HG3 LYS 53 poor 15 98 35 44 4.5-9.5 10582/9226=24...(3) HG12 ILE 5 - HG3 LYS 53 poor 14 70 20 - 5.5-8.3 HB3 LYS 77 - HG3 LYS 53 far 0 70 0 - 7.7-12.2 HB2 LYS 77 - HG3 LYS 53 far 0 61 0 - 9.3-13.9 Violated in 12 structures by 0.95 A. Peak 11245 from cnoeabs.peaks (1.99, 0.74, 26.63 ppm; 5.45 A): 1 out of 3 assignments used, quality = 1.00: HB VAL 22 + QD2 LEU 55 OK 100 100 100 100 2.0-4.8 11246/2.1=89, 11227=79...(11) HB3 GLU 21 - QD2 LEU 55 poor 16 84 80 25 5.6-8.4 3161/11118=15...(3) HB2 LYS 17 - QD2 LEU 55 far 0 97 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 11246 from cnoeabs.peaks (1.98, 0.68, 26.27 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 22 + QD1 LEU 55 OK 99 100 100 99 1.9-5.9 11227/2.1=63, ~11118=46...(12) HB3 GLU 21 - QD1 LEU 55 far 10 96 10 - 6.2-8.4 HB VAL 22 - QD2 LEU 4 far 0 55 0 - 8.4-11.8 HB2 LYS 40 - QD2 LEU 4 far 0 48 0 - 8.5-11.7 HB2 LYS 17 - QD1 LEU 55 far 0 87 0 - 8.7-11.1 Violated in 6 structures by 0.12 A. Peak 11247 from cnoeabs.peaks (0.84, 1.57, 27.37 ppm; 3.38 A): 4 out of 9 assignments used, quality = 0.92: QG2 VAL 22 + HG LEU 55 OK 66 87 85 89 1.9-5.5 11118/2.1=37...(10) QG2 ILE 5 + HG LEU 55 OK 53 100 60 88 3.4-5.8 ~10939=34, 11139/2.1=31...(13) HG13 ILE 5 + HG LEU 55 OK 31 99 40 77 2.8-7.6 ~10939=26, 11139/2.1=22...(11) HG13 ILE 57 + HG LEU 55 OK 28 70 85 47 2.8-6.3 ~11136=19, 11138/2.1=12...(9) QG2 ILE 57 - HG LEU 55 poor 17 100 50 34 3.5-7.2 ~11136=11, 11138/2.1=7...(8) QG2 ILE 15 - HG LEU 55 far 0 99 0 - 5.3-9.2 HG13 ILE 5 - HG12 ILE 3 far 0 96 0 - 6.9-9.2 QG2 ILE 5 - HG12 ILE 3 far 0 97 0 - 8.1-9.1 QD1 LEU 14 - HG LEU 55 far 0 70 0 - 9.0-10.5 Violated in 7 structures by 0.02 A. Peak 11249 from cnoeabs.peaks (1.97, 0.66, 12.57 ppm; 5.84 A): 4 out of 7 assignments used, quality = 0.93: HB2 GLU 41 + QD1 ILE 56 OK 64 73 100 87 3.2-6.0 3.0/9402=75...(4) HB3 GLU 41 + QD1 ILE 56 OK 61 70 100 88 2.9-5.2 3.0/9402=75...(6) HB VAL 29 + QD1 ILE 56 OK 30 84 45 80 6.0-9.5 4.4/11360=71, 3.0/4489=31 HB3 MET 42 + QD1 ILE 56 OK 29 73 60 67 6.7-8.4 4.2/9547=55, ~11531=22 HB3 GLU 52 - QD1 ILE 56 far 4 81 5 - 6.2-14.2 HB VAL 22 - QD1 ILE 56 far 0 65 0 - 8.2-10.1 HB3 LYS 39 - QD1 ILE 56 far 0 65 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 11250 from cnoeabs.peaks (3.77, 0.69, 17.09 ppm; 5.67 A): 2 out of 2 assignments used, quality = 0.95: HB2 SER 58 + QG2 ILE 56 OK 91 92 100 99 3.5-6.6 1.8/11251=98...(6) HA LEU 68 + QG2 ILE 56 OK 37 94 100 40 5.9-6.9 9761/9709=32, 3.0/9756=9 Violated in 0 structures by 0.00 A. Peak 11251 from cnoeabs.peaks (3.41, 0.69, 17.09 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.79: HB3 SER 58 + QG2 ILE 56 OK 79 98 100 80 3.3-5.7 1.8/11250=37...(6) Violated in 4 structures by 0.15 A. Peak 11252 from cnoeabs.peaks (0.88, 4.13, 56.64 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 38 + HA LEU 63 OK 97 97 100 100 3.1-4.2 11527=94, 10988/4738=57...(20) QG1 VAL 32 + HA LEU 63 OK 53 77 100 68 4.1-5.1 11254/3.7=34...(5) Violated in 0 structures by 0.00 A. Peak 11253 from cnoeabs.peaks (0.97, 4.13, 56.64 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 38 + HA LEU 63 OK 99 99 100 100 1.9-3.0 2.1/11527=92...(16) HG13 ILE 56 - HA LEU 63 far 0 94 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 11254 from cnoeabs.peaks (0.88, 1.62, 26.77 ppm; 3.09 A): 2 out of 3 assignments used, quality = 0.83: QG1 VAL 32 + HG LEU 63 OK 64 92 100 70 3.6-4.4 10931=31, ~11488=15...(8) QD2 LEU 38 + HG LEU 63 OK 53 87 65 93 4.0-5.2 10988/2.1=52, ~10987=29...(14) QG2 THR 9 - HG LEU 63 far 0 81 0 - 9.7-11.1 Violated in 20 structures by 0.52 A. Peak 11255 from cnoeabs.peaks (4.97, 0.71, 22.93 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.96: HA ASN 33 + QD2 LEU 63 OK 96 97 100 99 4.4-6.2 11256/2.1=97, ~10795=59 Violated in 1 structures by 0.02 A. Peak 11256 from cnoeabs.peaks (4.97, 0.74, 25.21 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: HA ASN 33 + QD1 LEU 63 OK 100 100 100 100 2.5-3.8 9308=100, 3.0/10795=41...(5) HA ASN 10 - QD1 LEU 63 far 0 96 0 - 8.1-9.5 HA ASN 33 - QD2 LEU 6 far 0 83 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 11257 from cnoeabs.peaks (5.11, 1.87, 40.89 ppm; 6.20 A): 0 out of 0 assignments used, quality = 0.00: Peak 11258 from cnoeabs.peaks (0.88, 1.87, 40.89 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 38 + HB2 LEU 63 OK 97 97 100 100 5.1-6.3 10988/3.1=90...(18) QG1 VAL 32 + HB2 LEU 63 OK 74 77 100 96 3.6-4.6 10931/3.0=54...(9) QG2 THR 9 - HB2 LEU 63 far 0 61 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 11259 from cnoeabs.peaks (0.97, 1.87, 40.89 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.94: QD1 LEU 38 + HB2 LEU 63 OK 94 94 100 100 3.6-5.2 10987/3.1=88...(18) HG13 ILE 56 - HB2 LEU 63 far 0 84 0 - 7.8-10.5 Violated in 0 structures by 0.00 A. Peak 11260 from cnoeabs.peaks (0.89, 1.43, 40.89 ppm; 3.84 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 38 + HB3 LEU 63 OK 95 100 95 100 4.1-5.5 10988/3.1=69...(17) QG1 VAL 32 + HB3 LEU 63 OK 48 61 100 79 2.5-3.6 11254/3.0=34...(7) QD2 LEU 70 - HB3 LEU 63 far 0 70 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 11261 from cnoeabs.peaks (0.96, 1.43, 40.89 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 38 + HB3 LEU 63 OK 100 100 100 100 2.2-4.1 10987/3.1=80...(18) HG13 ILE 56 - HB3 LEU 63 far 0 99 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 11262 from cnoeabs.peaks (4.71, 0.71, 22.93 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.95: HA ASP 34 + QD2 LEU 63 OK 95 96 100 99 3.4-4.4 9324/2.1=89, 3.0/9323=46...(8) HA ASN 59 - QD2 LEU 63 far 0 100 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 11263 from cnoeabs.peaks (4.71, 0.74, 25.21 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.99: HA ASP 34 + QD1 LEU 63 OK 99 100 100 99 3.0-3.4 9324=88, 11262/2.1=50...(9) HA ASN 59 - QD1 LEU 63 far 0 99 0 - 5.3-6.3 HA ASN 59 - QD2 LEU 6 far 0 81 0 - 7.4-9.5 HA LYS 53 - QD2 LEU 6 far 0 51 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 11264 from cnoeabs.peaks (8.88, 0.74, 25.21 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.89: H SER 35 + QD1 LEU 63 OK 73 73 100 100 3.5-4.7 3.6/11263=81...(12) H LYS 61 + QD1 LEU 63 OK 59 61 100 97 5.3-6.2 4.3/9685=67, 4.6/9649=61...(4) H LYS 61 - QD2 LEU 6 far 0 45 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 11265 from cnoeabs.peaks (8.80, 0.74, 25.21 ppm; 6.20 A): 4 out of 6 assignments used, quality = 1.00: H ASN 59 + QD1 LEU 63 OK 98 98 100 100 3.2-4.3 9613=97, 356/9649=93...(6) H SER 58 + QD1 LEU 63 OK 85 92 100 93 5.2-6.1 4.6/9613=78...(5) H SER 58 + QD2 LEU 6 OK 37 72 100 52 4.4-6.2 351/2.1=19, 4.0/11546=18...(6) H ILE 54 + QD1 LEU 45 OK 25 35 100 71 3.8-7.1 1350/4379=27...(7) H ASN 59 - QD2 LEU 6 poor 20 79 25 - 7.2-8.8 H ILE 54 - QD2 LEU 6 lone 1 82 25 5 7.2-8.9 11714/11707=1, 11327/11528=1 Violated in 0 structures by 0.00 A. Peak 11266 from cnoeabs.peaks (3.77, 1.79, 41.35 ppm; 5.58 A): 2 out of 3 assignments used, quality = 0.99: HB2 SER 58 + HB2 LEU 64 OK 98 99 100 99 2.3-5.7 ~10438=67, 9599/3.1=53...(11) HA LYS 65 + HB2 LEU 64 OK 61 61 100 100 4.4-5.6 3.0/393=62, ~394=45...(17) HA LEU 68 - HB2 LEU 64 far 10 99 10 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 11267 from cnoeabs.peaks (5.11, 0.81, 24.93 ppm; 5.99 A): 0 out of 0 assignments used, quality = 0.00: Peak 11268 from cnoeabs.peaks (5.11, 0.78, 24.57 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.50: HG SER 58 + QD2 LEU 64 OK 50 61 85 96 5.0-7.8 ~10438=70, ~9599=43...(8) Violated in 16 structures by 0.75 A. Peak 11269 from cnoeabs.peaks (0.38, 0.81, 24.93 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 68 + QD1 LEU 64 OK 90 99 95 96 3.9-5.4 11073/2.1=53...(18) QD1 ILE 97 + QD1 LEU 64 OK 44 70 100 63 1.8-4.0 11270/2.1=26...(9) Violated in 2 structures by 0.02 A. Peak 11270 from cnoeabs.peaks (0.37, 0.78, 24.57 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 68 + QD2 LEU 64 OK 83 84 100 99 2.9-5.2 11073/2.1=50...(23) QD1 ILE 97 + QD2 LEU 64 OK 82 96 100 86 1.7-4.4 4742/9693=35...(17) Violated in 0 structures by 0.00 A. Peak 11271 from cnoeabs.peaks (1.59, 2.20, 33.44 ppm; 5.94 A): 1 out of 5 assignments used, quality = 0.95: HG LEU 68 + HB2 MET 67 OK 95 98 100 97 3.4-6.1 1449/4.6=86...(7) HB3 LEU 127 - HB3 MET 1 poor 9 30 30 - 4.0-10.7 HD3 LYS 19 - HG3 GLN 28 far 0 63 0 - 9.4-14.3 HG2 LYS 73 - HB2 MET 67 far 0 100 0 - 9.6-12.4 HG2 LYS 44 - HB2 MET 67 far 0 87 0 - 9.8-12.0 Violated in 12 structures by 0.05 A. Peak 11272 from cnoeabs.peaks (1.52, 2.05, 33.44 ppm; 6.20 A): 3 out of 6 assignments used, quality = 1.00: HG LEU 6 + HB3 MET 67 OK 100 100 100 100 4.2-6.2 2.1/11564=91...(12) HG LEU 38 + HB3 MET 67 OK 100 100 100 100 4.0-5.6 11231/1.8=94, ~10991=80...(12) HB2 LEU 6 + HB3 MET 67 OK 89 90 100 100 5.9-7.3 3.1/11564=89...(13) HG2 LYS 43 - HB3 MET 67 lone 1 98 30 2 7.2-10.9 HB3 ARG 30 - HB3 MET 67 far 0 99 0 - 8.1-10.9 HB2 LYS 61 - HB3 MET 67 far 0 100 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 11274 from cnoeabs.peaks (0.73, 1.59, 26.45 ppm; 3.49 A): 2 out of 9 assignments used, quality = 0.97: QD2 LEU 6 + HG LEU 68 OK 83 94 100 88 2.3-3.5 11343/2.1=62, ~11565=39...(7) QD1 LEU 6 + HG LEU 68 OK 81 90 100 91 3.2-4.4 11565/2.1=61, ~11343=38...(10) QG2 VAL 78 - HG LEU 68 far 0 100 0 - 5.3-6.3 QD2 LEU 63 - HG LEU 68 far 0 70 0 - 7.8-8.8 QG2 ILE 7 - HG LEU 68 far 0 65 0 - 8.2-9.3 QD1 LEU 63 - HG LEU 68 far 0 77 0 - 8.6-9.3 QD2 LEU 55 - HG LEU 68 far 0 92 0 - 8.7-11.4 QG1 VAL 117 - HG LEU 68 far 0 99 0 - 9.4-10.7 QD1 ILE 57 - HG LEU 68 far 0 61 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 11275 from cnoeabs.peaks (3.73, 1.47, 41.49 ppm; 6.15 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 71 + HB2 LEU 74 OK 99 99 100 100 2.1-4.9 9819/3.1=95...(17) Violated in 0 structures by 0.00 A. Peak 11277 from cnoeabs.peaks (1.87, 0.82, 25.82 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.61: QE MET 42 + QD1 LEU 74 OK 61 97 80 78 2.1-8.3 11530=35, 9426/9819=29...(10) HG LEU 45 - QD1 LEU 74 lone 9 94 80 12 3.2-6.5 4621/9818=6...(3) QE MET 67 - QD1 LEU 74 far 0 97 0 - 6.3-10.7 Violated in 11 structures by 0.70 A. Peak 11278 from cnoeabs.peaks (3.75, 1.70, 26.27 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.90: HA ILE 71 + HG LEU 74 OK 90 90 100 100 2.1-4.0 11347/2.1=80...(19) Violated in 0 structures by 0.00 A. Peak 11279 from cnoeabs.peaks (0.72, 2.85, 37.96 ppm; 5.75 A): 2 out of 5 assignments used, quality = 0.99: QG2 VAL 78 + HB3 TYR 76 OK 99 99 100 100 2.9-3.6 9860/1.8=97, 9861=87...(5) QD2 LEU 45 + HB3 TYR 76 OK 40 99 40 100 6.2-8.6 ~4618=81, 9449/2.5=79...(8) QD2 LEU 6 - HB3 TYR 76 poor 19 77 25 - 6.9-8.3 QD1 LEU 6 - HB3 TYR 76 far 0 99 0 - 9.4-10.3 QD2 LEU 55 - HB3 TYR 76 far 0 73 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 11280 from cnoeabs.peaks (0.74, 2.66, 37.96 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.94: QG2 VAL 78 + HB2 TYR 76 OK 75 81 100 93 2.8-3.3 9861/1.8=66, 9874/2.5=54...(5) QD1 LEU 45 + HB2 TYR 76 OK 75 77 100 97 4.0-6.3 ~4611=52, 9446/2.5=50...(8) QD2 LEU 45 - HB2 TYR 76 far 8 81 10 - 6.0-8.4 QD2 LEU 6 - HB2 TYR 76 far 0 99 0 - 6.6-8.3 QG2 ILE 54 - HB2 TYR 76 far 0 97 0 - 7.6-10.2 QD2 LEU 55 - HB2 TYR 76 far 0 100 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 11281 from cnoeabs.peaks (0.94, 2.58, 41.93 ppm; 5.58 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 127 + HE3 LYS 77 OK 96 96 100 100 3.5-5.1 2.1/11282=83, ~11215=72...(14) HG3 LYS 53 - HE3 LYS 77 far 0 99 0 - 8.5-15.7 QG1 VAL 104 - HE3 LYS 77 far 0 92 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 11282 from cnoeabs.peaks (1.01, 2.58, 41.93 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 127 + HE3 LYS 77 OK 100 100 100 100 1.8-3.8 11215/1.8=92, 11214=91...(19) Violated in 0 structures by 0.00 A. Peak 11283 from cnoeabs.peaks (1.00, 2.83, 41.93 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 127 + HE2 LYS 77 OK 90 90 100 100 2.0-4.7 11215=78, 11214/1.8=70...(20) Violated in 0 structures by 0.00 A. Peak 11284 from cnoeabs.peaks (0.91, 2.83, 41.93 ppm; 6.07 A): 0 out of 1 assignment used, quality = 0.00: QG1 VAL 104 - HE2 LYS 77 far 0 61 0 - 9.1-13.0 Violated in 20 structures by 4.68 A. Peak 11285 from cnoeabs.peaks (1.03, 1.62, 28.20 ppm; 4.25 A): 0 out of 6 assignments used, quality = 0.00: HB2 PHE 79 - HD2 LYS 77 poor 19 95 20 - 5.6-8.0 HB2 PHE 79 - HD3 LYS 77 far 14 96 15 - 5.6-8.5 HG13 ILE 71 - HD3 LYS 77 far 0 87 0 - 8.3-13.0 HG3 LYS 2 - HD3 LYS 77 far 0 100 0 - 8.8-12.7 HG13 ILE 71 - HD2 LYS 77 far 0 87 0 - 9.3-12.3 HG3 LYS 2 - HD2 LYS 77 far 0 100 0 - 9.4-12.8 Violated in 20 structures by 1.34 A. Peak 11286 from cnoeabs.peaks (0.94, 1.62, 28.20 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 127 + HD2 LYS 77 OK 91 95 95 100 4.1-6.0 11288/3.0=52...(19) QD2 LEU 127 + HD3 LYS 77 OK 76 96 80 100 3.7-6.5 11288/3.0=52...(23) HG3 LYS 53 - HD2 LYS 77 far 0 99 0 - 8.3-14.6 HG3 LYS 53 - HD3 LYS 77 far 0 99 0 - 9.5-14.2 Violated in 10 structures by 0.28 A. Peak 11287 from cnoeabs.peaks (1.02, 1.35, 24.49 ppm; 4.47 A): 1 out of 4 assignments used, quality = 0.96: QD1 LEU 127 + HG2 LYS 77 OK 96 96 100 100 1.8-3.0 11471=78, 2.1/11288=62...(24) HG12 ILE 97 - HG2 LYS 94 far 0 23 0 - 6.3-9.3 HG3 LYS 2 - HG2 LYS 77 far 0 77 0 - 7.9-12.0 HG13 ILE 71 - HG2 LYS 77 far 0 100 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 11288 from cnoeabs.peaks (0.93, 1.35, 24.49 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 127 + HG2 LYS 77 OK 98 100 100 98 3.1-4.8 2.1/11287=58, 11472=43...(20) QG1 VAL 104 + HG2 LYS 94 OK 38 39 100 97 1.8-4.3 10228/1.8=60...(10) HG13 ILE 97 - HG2 LYS 94 far 0 35 0 - 6.0-9.6 HG3 LYS 53 - HG2 LYS 77 far 0 100 0 - 8.6-14.4 Violated in 0 structures by 0.00 A. Peak 11289 from cnoeabs.peaks (1.01, 1.17, 24.49 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 127 + HG3 LYS 77 OK 98 98 100 100 2.2-4.2 11471/1.8=75...(24) HG13 ILE 71 - HG3 LYS 77 far 0 73 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 11290 from cnoeabs.peaks (0.37, 1.56, 34.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 68 + HB VAL 78 OK 90 90 100 100 2.6-3.6 9865/2.1=100...(8) QD1 ILE 97 + HB VAL 78 OK 36 92 45 88 6.6-9.6 10140/9872=62...(3) Violated in 0 structures by 0.00 A. Peak 11291 from cnoeabs.peaks (1.90, 0.72, 22.14 ppm; 4.50 A): 1 out of 11 assignments used, quality = 0.55: HB ILE 71 + QG2 VAL 78 OK 55 100 100 55 1.9-4.1 ~9788=25, 9794/9874=23...(4) QE MET 67 - QG2 VAL 78 far 0 61 0 - 6.1-7.3 HG LEU 45 - QG2 VAL 78 far 0 70 0 - 6.7-8.5 HB2 LEU 45 - QG2 VAL 78 far 0 99 0 - 7.1-8.6 HB2 LYS 73 - QG2 VAL 78 far 0 99 0 - 7.8-10.1 HG2 MET 121 - QG2 VAL 78 far 0 65 0 - 8.4-10.1 HB3 LYS 73 - QG2 VAL 78 far 0 99 0 - 8.4-9.9 HB3 LYS 123 - QG2 VAL 78 far 0 77 0 - 8.6-9.4 HB ILE 7 - QG2 VAL 78 far 0 97 0 - 8.7-9.7 HB2 GLU 128 - QG2 VAL 78 far 0 100 0 - 9.0-11.9 HB2 LYS 44 - QG2 VAL 78 far 0 87 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 11294 from cnoeabs.peaks (7.15, 5.27, 53.06 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.87: QE PHE 120 + HA LEU 81 OK 87 87 100 100 2.5-3.5 2.2/4711=99, 4739=88...(15) QE PHE 93 - HA LEU 81 poor 8 84 25 38 6.9-8.9 9942/3.0=14, 9934/5514=9...(5) Violated in 0 structures by 0.00 A. Peak 11295 from cnoeabs.peaks (6.80, 1.36, 45.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 120 + HB3 LEU 81 OK 96 96 100 100 3.3-5.3 2.2/9945=99, ~4731=92...(17) Violated in 0 structures by 0.00 A. Peak 11296 from cnoeabs.peaks (4.79, 5.26, 54.59 ppm; 6.06 A): 1 out of 1 assignment used, quality = 0.94: HA THR 108 + HA GLN 83 OK 94 94 100 100 3.8-4.8 10023/525=90...(6) Violated in 0 structures by 0.00 A. Peak 11297 from cnoeabs.peaks (8.69, 2.59, 43.77 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: H ASP 86 + HB2 ASP 84 OK 100 100 100 100 2.1-5.3 536/534=94, 11408/3.0=94...(5) H ARG 105 - HB2 ASP 84 far 0 87 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 11298 from cnoeabs.peaks (8.69, 2.66, 43.77 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.99: H ASP 86 + HB3 ASP 84 OK 99 100 100 100 2.2-4.5 11408/3.0=87, 536/535=85...(6) H ARG 105 - HB3 ASP 84 far 0 70 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 11299 from cnoeabs.peaks (1.55, 2.09, 29.57 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.25: HD2 LYS 106 + HB2 GLU 87 OK 25 90 50 56 3.9-9.6 11300/1.8=40, ~11300=27 HD3 LYS 106 - HB2 GLU 87 poor 19 87 40 55 3.8-9.6 11300/1.8=37, ~11300=29 HD2 LYS 94 - HB2 GLU 87 far 0 84 0 - 6.2-11.6 HD3 LYS 94 - HB2 GLU 87 far 0 84 0 - 6.4-10.9 Violated in 19 structures by 1.79 A. Peak 11300 from cnoeabs.peaks (1.55, 2.04, 29.57 ppm; 4.36 A): 0 out of 9 assignments used, quality = 0.00: HD2 LYS 106 - HB3 GLU 87 poor 19 90 35 61 4.8-10.7 11299/1.8=44, ~11299=24 HD3 LYS 106 - HB3 GLU 87 poor 18 87 35 59 4.0-10.9 11299/1.8=34, ~11299=32 HD3 LYS 94 - HB3 GLU 98 poor 15 43 35 - 3.9-7.6 HD2 LYS 106 - HB3 GLU 98 far 2 47 5 - 5.3-11.6 HD2 LYS 94 - HB3 GLU 98 lone 0 43 50 1 3.3-7.6 HD3 LYS 106 - HB3 GLU 98 far 0 45 0 - 6.3-12.1 HD2 LYS 94 - HB3 GLU 87 far 0 84 0 - 6.4-12.6 HD3 LYS 94 - HB3 GLU 87 far 0 84 0 - 7.1-12.0 HD3 LYS 106 - HB3 GLN 85 far 0 57 0 - 9.3-13.8 Violated in 11 structures by 0.25 A. Peak 11301 from cnoeabs.peaks (2.91, 2.04, 29.24 ppm; 3.71 A): 3 out of 27 assignments used, quality = 0.95: HB3 ASN 88 + HB2 GLU 89 OK 71 96 95 79 4.5-5.2 557/4.0=39, 11303/3.0=23...(8) HB2 ASP 86 + HB2 GLU 89 OK 65 81 95 85 2.2-5.5 11303/3.0=28, ~10048=25...(9) HB2 ASP 86 + HB3 GLU 89 OK 47 81 70 83 3.6-5.9 11303/3.0=28, ~10048=25...(8) HE3 LYS 65 - HB2 GLU 66 far 10 100 10 - 4.5-9.9 HB3 ASN 88 - HB3 GLU 89 far 10 96 10 - 3.7-6.0 HB2 ASP 86 - HB3 GLN 85 poor 9 76 30 39 4.3-7.1 1570/4.6=31, 1.8/10049=7, 9309=5 HE3 LYS 94 - HB3 GLU 98 lone 2 49 45 10 3.7-8.1 10234/11454=6, 11307/11060=4 HE3 LYS 65 - HB3 GLN 100 far 0 89 0 - 5.3-11.4 HE2 LYS 65 - HB2 GLU 66 far 0 100 0 - 5.4-9.5 HE2 LYS 65 - HB3 GLN 100 far 0 89 0 - 5.4-11.3 HB2 ASN 10 - HB3 GLN 85 far 0 94 0 - 7.4-10.8 HE2 LYS 65 - HB3 GLU 98 far 0 50 0 - 7.5-16.2 HE3 LYS 65 - HB3 GLU 98 far 0 50 0 - 7.6-16.1 HE3 LYS 96 - HB3 GLU 98 far 0 29 0 - 7.9-10.2 HE2 LYS 96 - HB3 GLU 98 far 0 29 0 - 8.0-10.2 HE2 LYS 96 - HB3 GLU 89 far 0 70 0 - 8.2-12.4 HE2 LYS 96 - HB3 GLN 100 far 0 56 0 - 8.4-12.2 HE3 LYS 94 - HB2 GLU 89 far 0 99 0 - 8.4-13.0 HB2 ASN 10 - HB3 GLU 89 far 0 97 0 - 8.7-12.7 HE3 LYS 96 - HB3 GLU 89 far 0 70 0 - 8.8-13.1 HB2 ASN 10 - HB2 GLU 89 far 0 97 0 - 8.8-12.0 HE3 LYS 96 - HB2 GLU 89 far 0 70 0 - 8.9-13.8 HE3 LYS 94 - HB3 GLU 89 far 0 99 0 - 9.1-13.3 HE3 LYS 96 - HB3 GLN 100 far 0 56 0 - 9.1-12.2 HB3 ASN 88 - HB3 GLN 85 far 0 92 0 - 9.2-11.6 HE3 LYS 94 - HB3 GLN 100 far 0 88 0 - 9.3-15.0 HE2 LYS 96 - HB2 GLU 89 far 0 70 0 - 9.6-13.5 Violated in 5 structures by 0.07 A. Peak 11302 from cnoeabs.peaks (2.92, 2.26, 36.01 ppm; 4.05 A): 2 out of 19 assignments used, quality = 0.91: HB2 ASP 86 + HG2 GLU 89 OK 83 99 95 88 2.6-5.7 11303/1.8=42...(7) HB3 ASN 88 + HG2 GLU 89 OK 48 65 100 73 3.0-5.2 11303/1.8=35...(6) HE3 LYS 65 - HG2 GLU 69 poor 15 77 20 - 4.7-8.4 HE2 LYS 115 - HG3 GLU 111 far 11 73 15 - 3.8-11.6 HE2 LYS 96 - HG3 GLU 92 far 10 96 10 - 3.8-9.3 HB3 ASN 88 - HG3 GLU 92 poor 8 65 55 22 4.6-10.0 4.2/1588=18, 11084=3 HE3 LYS 96 - HG3 GLU 92 far 5 96 5 - 5.2-9.4 HE3 LYS 115 - HG3 GLU 111 far 4 73 5 - 2.6-11.6 HE2 LYS 65 - HG2 GLU 69 lone 0 77 35 1 3.4-8.4 HE3 LYS 94 - HG3 GLU 92 far 0 98 0 - 7.1-11.1 HE3 LYS 94 - HG2 GLU 103 far 0 60 0 - 7.4-12.8 HB2 ASP 86 - HG3 GLU 92 far 0 99 0 - 7.4-10.2 HE3 LYS 65 - HG3 GLU 92 far 0 96 0 - 8.4-16.1 HB2 ASN 10 - HG2 GLU 89 far 0 70 0 - 9.3-14.2 HE2 LYS 65 - HG3 GLU 92 far 0 96 0 - 9.4-16.6 HE3 LYS 94 - HG2 GLU 89 far 0 98 0 - 9.5-14.6 HE2 LYS 96 - HG2 GLU 69 far 0 77 0 - 9.7-14.2 HE2 LYS 96 - HG2 GLU 89 far 0 97 0 - 9.7-14.4 HE3 LYS 96 - HG2 GLU 89 far 0 97 0 - 10.0-14.9 Violated in 0 structures by 0.00 A. Peak 11303 from cnoeabs.peaks (2.92, 2.31, 36.01 ppm; 3.92 A): 2 out of 18 assignments used, quality = 0.92: HB2 ASP 86 + HG3 GLU 89 OK 78 94 100 83 1.9-4.4 11302/1.8=42, ~10048=36...(7) HB3 ASN 88 + HG3 GLU 89 OK 64 84 100 77 2.7-5.2 4.2/5769=46...(6) HB3 ASN 88 - HG2 GLU 92 poor 20 78 25 - 4.9-8.5 HE2 LYS 96 - HG2 GLU 92 poor 16 82 20 - 4.6-9.0 HE2 LYS 44 - HG3 GLU 48 poor 15 73 20 - 2.8-10.4 HE3 LYS 17 - HG3 GLU 13 far 7 65 10 - 4.1-9.1 HE2 LYS 16 - HG3 GLU 13 far 5 95 5 - 5.1-9.6 HE3 LYS 96 - HG2 GLU 92 far 4 82 5 - 4.5-8.6 HE3 LYS 44 - HG3 GLU 48 lone 0 73 30 0 3.9-10.7 HE3 LYS 16 - HG3 GLU 13 far 0 95 0 - 6.6-9.4 HE3 LYS 94 - HG3 GLU 103 far 0 47 0 - 6.8-11.8 HB2 ASP 86 - HG2 GLU 92 far 0 89 0 - 7.1-11.1 HE3 LYS 94 - HG2 GLU 92 far 0 97 0 - 8.5-12.0 HE3 LYS 94 - HG3 GLU 89 far 0 100 0 - 9.1-14.6 HB2 ASN 10 - HG3 GLU 13 far 0 87 0 - 9.4-11.9 HB2 ASN 10 - HG3 GLU 89 far 0 87 0 - 9.7-14.1 HE3 LYS 65 - HG2 GLU 92 far 0 97 0 - 9.8-15.4 HE2 LYS 65 - HG2 GLU 92 far 0 97 0 - 9.8-16.1 Violated in 1 structures by 0.00 A. Peak 11304 from cnoeabs.peaks (2.83, 2.04, 29.24 ppm; 3.38 A): 0 out of 7 assignments used, quality = 0.00: HB2 ASN 88 - HB2 GLU 89 far 0 65 0 - 5.2-6.6 HB2 ASN 88 - HB3 GLU 89 far 0 65 0 - 5.2-7.3 HB3 ASN 10 - HB3 GLN 85 far 0 73 0 - 7.3-11.2 HB3 ASN 10 - HB3 GLU 89 far 0 77 0 - 8.8-13.4 HB3 ASN 10 - HB2 GLU 89 far 0 77 0 - 8.8-12.7 HB2 ASP 109 - HB3 GLN 85 far 0 69 0 - 9.1-12.0 HB2 ASN 88 - HB3 GLN 85 far 0 61 0 - 9.4-12.0 Violated in 20 structures by 2.15 A. Peak 11306 from cnoeabs.peaks (8.42, 0.90, 24.86 ppm; 5.81 A): 1 out of 3 assignments used, quality = 0.71: H GLN 83 + QD1 LEU 90 OK 71 73 100 97 4.0-6.6 ~10074=66, 4.5/11577=54...(8) H ASN 10 - QD1 LEU 90 far 9 61 15 - 7.0-10.1 H GLN 62 - QD1 LEU 90 far 0 84 0 - 9.8-14.7 Violated in 5 structures by 0.07 A. Peak 11307 from cnoeabs.peaks (0.90, 2.92, 41.78 ppm; 4.21 A): 2 out of 31 assignments used, quality = 0.66: QG2 VAL 104 + HE3 LYS 94 OK 48 84 65 88 2.1-6.9 2.1/10234=64...(9) QD1 LEU 90 + HE3 LYS 94 OK 34 98 45 78 2.7-7.3 10101/5.7=30...(10) QD2 LEU 90 - HE3 LYS 94 poor 12 77 30 50 4.3-7.5 ~10982=20, 11308/1.8=9...(8) QG2 VAL 104 - HE2 LYS 65 far 4 84 5 - 5.4-12.4 QG2 VAL 104 - HE3 LYS 65 far 4 84 5 - 5.6-11.7 HG13 ILE 54 - HE3 LYS 44 far 0 48 0 - 6.4-13.0 QD2 LEU 38 - HE3 LYS 65 far 0 95 0 - 6.7-11.5 QD2 LEU 38 - HE2 LYS 65 far 0 95 0 - 6.8-11.4 QD1 LEU 70 - HE3 LYS 65 far 0 94 0 - 6.9-10.6 QD1 LEU 70 - HE2 LYS 65 far 0 94 0 - 7.3-11.0 HG13 ILE 54 - HE2 LYS 44 far 0 48 0 - 7.4-13.5 QD1 LEU 90 - HE2 LYS 96 far 0 64 0 - 7.8-13.2 QG2 VAL 29 - HE2 LYS 16 far 0 93 0 - 7.8-10.5 QG2 VAL 104 - HE3 LYS 96 far 0 50 0 - 8.0-9.8 QG2 VAL 104 - HE2 LYS 96 far 0 50 0 - 8.1-10.0 QD1 LEU 90 - HE3 LYS 96 far 0 64 0 - 8.2-13.2 QG2 VAL 29 - HE3 LYS 16 far 0 93 0 - 8.2-10.9 QD1 LEU 90 - HE3 LYS 65 far 0 98 0 - 8.4-16.8 QD1 LEU 90 - HE2 LYS 65 far 0 98 0 - 8.4-15.9 QD2 LEU 70 - HE2 LYS 44 far 0 64 0 - 8.4-11.6 QD2 LEU 70 - HE3 LYS 65 far 0 98 0 - 8.4-13.0 QD2 LEU 38 - HE3 LYS 44 far 0 61 0 - 8.6-11.5 QD2 LEU 38 - HE2 LYS 44 far 0 61 0 - 8.6-11.9 QD2 LEU 70 - HE3 LYS 44 far 0 64 0 - 8.8-11.2 QD1 LEU 70 - HE3 LYS 44 far 0 59 0 - 8.9-12.1 QD2 LEU 90 - HE3 LYS 96 far 0 45 0 - 9.1-12.3 QD2 LEU 70 - HE2 LYS 65 far 0 98 0 - 9.1-13.1 QD2 LEU 90 - HE2 LYS 65 far 0 77 0 - 9.2-15.7 QD2 LEU 90 - HE2 LYS 96 far 0 45 0 - 9.3-12.3 QD2 LEU 90 - HE3 LYS 65 far 0 77 0 - 9.3-15.5 QD1 LEU 70 - HE2 LYS 44 far 0 59 0 - 9.5-11.5 Violated in 8 structures by 0.30 A. Peak 11308 from cnoeabs.peaks (0.89, 3.02, 41.78 ppm; 5.79 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 104 + HE2 LYS 94 OK 98 99 100 98 3.4-6.9 ~10234=80, 11509/3.8=55...(15) QD2 LEU 90 + HE2 LYS 94 OK 64 98 85 76 3.9-8.5 ~10982=37, ~11307=31...(8) QD1 LEU 90 + HE2 LYS 94 OK 62 77 95 85 3.7-7.7 11307/1.8=32...(10) QG2 VAL 104 - HE2 LYS 123 far 0 94 0 - 9.4-12.8 QG2 VAL 104 - HE3 LYS 123 far 0 81 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 11309 from cnoeabs.peaks (4.34, 1.57, 24.91 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 93 + HG3 LYS 96 OK 100 100 100 100 1.8-5.1 8208/2.9=92, 8210/2.9=86...(10) HA SER 99 - HG3 LYS 96 far 0 100 0 - 7.5-9.9 HA GLU 98 - HG3 LYS 96 far 0 99 0 - 8.1-9.5 Violated in 4 structures by 0.02 A. Peak 11310 from cnoeabs.peaks (4.33, 1.68, 28.89 ppm; 3.55 A): 2 out of 6 assignments used, quality = 1.00: HA PHE 93 + HD3 LYS 96 OK 93 99 100 95 2.1-4.2 8208/3.4=50, 8210/3.4=44...(12) HA PHE 93 + HD2 LYS 96 OK 93 98 100 95 3.1-4.8 8208/3.4=50, 8210/3.4=44...(11) HA SER 99 - HD2 LYS 96 far 0 95 0 - 7.7-9.1 HA GLU 98 - HD3 LYS 96 far 0 100 0 - 8.2-10.3 HA GLU 98 - HD2 LYS 96 far 0 100 0 - 8.2-9.1 HA SER 99 - HD3 LYS 96 far 0 96 0 - 8.2-10.6 Violated in 6 structures by 0.09 A. Peak 11311 from cnoeabs.peaks (7.63, 3.94, 62.57 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.98: H GLN 100 + HA ILE 97 OK 98 99 100 99 3.1-3.8 1942/2176=63...(10) H ASP 34 + HB3 SER 35 OK 36 45 100 80 6.3-7.1 4.5/1221=79 H GLU 69 - HA ILE 97 poor 11 100 30 38 7.3-8.5 4.9/9753=32, 1457/10112=7 H LEU 64 - HB3 SER 35 far 0 58 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 11312 from cnoeabs.peaks (7.22, 0.36, 11.90 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 93 + QD1 ILE 97 OK 99 99 100 100 2.7-4.7 2.2/10142=89...(14) Violated in 0 structures by 0.00 A. Peak 11313 from cnoeabs.peaks (8.28, 3.98, 57.26 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.80: H GLU 13 + HA LEU 14 OK 80 90 100 89 5.2-5.4 62/3.0=87, 10766/4.0=19 Violated in 20 structures by 0.14 A. Peak 11314 from cnoeabs.peaks (7.68, 0.64, 20.11 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.83: H GLU 21 + QG1 VAL 22 OK 83 90 100 92 4.4-4.8 9206/4.0=57, 4.1/3165=32...(7) HD21 ASN 24 - QG1 VAL 22 far 10 70 15 - 6.0-10.4 HE ARG 118 - QG1 VAL 22 lone 5 92 35 16 4.2-9.3 7.0/10848=7...(5) Violated in 0 structures by 0.00 A. Peak 11319 from cnoeabs.peaks (8.75, 2.71, 39.04 ppm; 4.78 A): 0 out of 0 assignments used, quality = 0.00: Peak 11323 from cnoeabs.peaks (8.04, 3.96, 58.89 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.96: H VAL 22 + HA GLU 21 OK 96 96 100 100 3.5-3.6 3.6=100 H ARG 118 - HA GLU 21 far 0 61 0 - 6.6-8.7 Violated in 0 structures by 0.00 A. Peak 11324 from cnoeabs.peaks (2.97, 3.96, 58.89 ppm; 4.41 A): 2 out of 5 assignments used, quality = 0.72: HB2 ASN 24 + HA GLU 21 OK 61 100 80 76 3.2-8.1 8025=53, 3.5/11539=33 HB3 ASN 24 + HA GLU 21 OK 29 100 40 74 3.8-8.1 1.8/8025=46...(3) HD3 ARG 118 - HA GLU 21 lone 2 100 30 7 4.1-10.6 ~11173=5, ~3134=2 HE2 LYS 20 - HA GLU 21 lone 0 99 35 1 4.4-9.0 HE3 LYS 20 - HA GLU 21 lone 0 99 25 1 4.7-8.4 Violated in 12 structures by 0.68 A. Peak 11325 from cnoeabs.peaks (8.81, 0.91, 27.42 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.99: H ILE 54 + HG13 ILE 54 OK 99 99 100 100 3.1-4.1 4.6=100 H LYS 106 - HG13 ILE 97 far 0 51 0 - 8.7-13.3 Violated in 0 structures by 0.00 A. Peak 11326 from cnoeabs.peaks (9.08, 1.25, 27.42 ppm; 5.28 A): 0 out of 1 assignment used, quality = 0.00: H LEU 4 - HG12 ILE 54 far 0 100 0 - 7.7-10.3 Violated in 20 structures by 3.43 A. Peak 11328 from cnoeabs.peaks (1.45, 1.68, 41.95 ppm; 3.92 A): 4 out of 7 assignments used, quality = 1.00: HG LEU 4 + HB ILE 54 OK 92 99 95 98 2.0-6.5 2.1/10735=67...(18) HB3 LEU 4 + HB ILE 54 OK 78 94 85 97 3.7-6.2 3.1/10735=54...(20) HG12 ILE 56 + HB ILE 54 OK 55 61 95 94 4.4-7.6 ~11708=51, 2.1/4490=34...(12) HB2 LEU 4 + HB ILE 54 OK 41 94 45 97 4.8-7.5 3.1/10735=54...(19) HG3 ARG 30 - HB ILE 54 far 10 98 10 - 5.1-8.3 HG3 LYS 44 - HB ILE 54 far 0 96 0 - 7.3-10.5 HG12 ILE 57 - HB ILE 54 far 0 81 0 - 9.1-10.4 Violated in 2 structures by 0.04 A. Peak 11329 from cnoeabs.peaks (1.45, 0.75, 17.84 ppm; 3.34 A): 4 out of 11 assignments used, quality = 0.97: HG3 ARG 30 + QG2 ILE 54 OK 76 100 95 80 2.2-4.9 3.0/9263=32, 3.9/9488=26...(9) HG LEU 4 + QG2 ILE 54 OK 64 100 70 91 1.9-6.9 2.1/4389=32, ~10735=28...(21) HB3 LEU 4 + QG2 ILE 54 OK 60 84 80 90 3.0-5.9 3.1/4389=24, ~10735=20...(24) HB2 LEU 4 + QG2 ILE 54 OK 22 84 30 88 4.5-7.3 3.1/4389=24, ~10735=20...(21) HG3 LYS 44 - QG2 ILE 54 far 0 87 0 - 5.1-8.1 HG12 ILE 57 - QG2 ILE 54 far 0 92 0 - 5.9-6.9 HG12 ILE 7 - QG2 ILE 54 far 0 94 0 - 8.3-10.7 HB3 LEU 38 - QG2 ILE 54 far 0 90 0 - 8.3-10.0 HB3 LEU 6 - QG2 ILE 54 far 0 96 0 - 8.3-9.9 HB2 LEU 74 - QG2 ILE 54 far 0 73 0 - 8.9-12.8 HG3 LYS 49 - QG2 ILE 54 far 0 96 0 - 8.9-15.3 Violated in 3 structures by 0.02 A. Peak 11330 from cnoeabs.peaks (1.48, 0.64, 13.41 ppm; 3.65 A): 1 out of 8 assignments used, quality = 0.62: HG2 ARG 30 + QD1 ILE 54 OK 62 77 100 81 2.4-3.8 3.0/9264=34, 3.9/9495=33...(7) HB3 LEU 45 - QD1 ILE 54 far 10 99 10 - 4.4-7.1 HD2 LYS 53 - QD1 ILE 5 far 0 78 0 - 5.8-9.4 HD2 LYS 53 - QD1 ILE 54 far 0 100 0 - 6.0-9.1 HG3 ARG 118 - QD1 ILE 5 far 0 78 0 - 6.9-10.2 HG2 ARG 30 - QD1 ILE 5 far 0 53 0 - 8.4-11.6 HB2 LEU 74 - QD1 ILE 54 far 0 73 0 - 8.8-12.7 HB2 LEU 74 - QD1 ILE 5 far 0 50 0 - 9.9-14.4 Violated in 14 structures by 0.05 A. Peak 11331 from cnoeabs.peaks (2.08, 0.91, 27.42 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.84: HB2 GLN 28 + HG13 ILE 54 OK 61 61 100 100 3.5-5.8 ~11481=86, ~11484=70...(6) HG2 GLU 52 + HG13 ILE 54 OK 60 61 100 98 2.3-6.9 ~11545=82, ~11351=66...(4) HB2 LYS 94 - HG13 ILE 97 poor 18 41 45 - 6.4-9.5 HB3 GLU 69 - HG13 ILE 97 far 2 46 5 - 7.7-12.2 HB3 PHE 79 - HG13 ILE 97 far 0 48 0 - 8.8-12.7 HB2 GLU 103 - HG13 ILE 97 far 0 48 0 - 9.2-11.2 HB3 GLU 66 - HG13 ILE 97 far 0 39 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 11339 from cnoeabs.peaks (0.68, 2.34, 36.01 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.99: QD1 ILE 116 + HG3 GLU 112 OK 94 100 100 94 1.9-5.6 10497/1.8=34...(13) QD1 ILE 116 + HG2 GLU 112 OK 89 100 95 94 1.9-5.9 10497/1.8=38...(13) QD2 LEU 114 - HG3 GLU 112 far 0 96 0 - 6.5-10.1 QD2 LEU 114 - HG2 GLU 112 far 0 95 0 - 7.1-9.6 Violated in 3 structures by 0.05 A. Peak 11340 from cnoeabs.peaks (0.77, 5.35, 53.00 ppm; 4.21 A): 4 out of 9 assignments used, quality = 0.96: QD1 ILE 7 + HA LEU 6 OK 87 99 100 88 2.9-4.5 1055/23=67, 3.2/10951=31...(5) QD1 LEU 80 + HA LEU 6 OK 46 100 60 76 4.8-7.2 9940/3.0=38, 5506/3.0=25...(8) QD2 LEU 80 + HA LEU 6 OK 21 99 30 70 4.2-8.2 ~9940=28, ~10953=14...(8) QD2 LEU 64 + HA LEU 6 OK 20 90 65 34 4.4-7.5 10953/3.0=18...(3) QD1 LEU 81 - HA LEU 6 far 0 70 0 - 7.4-8.2 QG2 VAL 32 - HA LEU 6 far 0 94 0 - 7.5-8.4 QD1 LEU 82 - HA LEU 6 far 0 98 0 - 7.5-9.7 QD1 ILE 15 - HA LEU 6 far 0 96 0 - 8.3-10.7 QD1 LEU 45 - HA LEU 6 far 0 65 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 11342 from cnoeabs.peaks (9.22, 0.71, 25.51 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.61: H LEU 6 + QD1 LEU 6 OK 61 61 100 100 4.1-4.2 3.0/2450=69, 3.9/2482=67...(12) Violated in 20 structures by 0.06 A. Peak 11343 from cnoeabs.peaks (0.38, 0.73, 25.37 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.91: QD2 LEU 68 + QD2 LEU 6 OK 91 100 100 92 2.0-3.4 9767=59, ~9766=36...(14) QD1 ILE 97 - QD2 LEU 6 far 0 65 0 - 5.3-7.3 QD2 LEU 68 - QD1 LEU 63 far 0 83 0 - 8.4-9.3 QD1 ILE 97 - QD1 LEU 63 far 0 48 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 11347 from cnoeabs.peaks (3.74, 0.82, 21.88 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 71 + QD2 LEU 74 OK 100 100 100 100 3.2-5.1 9819/2.1=79...(23) Violated in 7 structures by 0.10 A. Peak 11349 from cnoeabs.peaks (0.74, 2.91, 42.40 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 63 + HB2 ASP 34 OK 95 100 100 95 4.7-5.4 11263/3.0=67, ~9323=39...(7) Violated in 20 structures by 0.97 A. Peak 11350 from cnoeabs.peaks (4.06, 2.50, 36.27 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 44 + HG3 GLU 47 OK 99 100 100 99 2.0-4.6 8090/3.0=85, 8092/3.0=82...(7) Violated in 7 structures by 0.06 A. Peak 11351 from cnoeabs.peaks (0.64, 1.95, 33.46 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.82: QD1 ILE 54 + HB3 GLU 52 OK 82 97 90 94 3.6-7.3 11545=79, 10801/1.8=41...(5) QD1 LEU 4 - HB3 GLU 52 lone 6 100 35 18 3.4-10.0 10800/311=11, 10801/1.8=7 QD1 ILE 56 - HB3 GLU 52 far 3 61 5 - 6.2-14.2 QD1 ILE 5 - HB3 GLU 52 far 0 65 0 - 7.2-11.5 QD1 ILE 71 - HB3 GLU 52 far 0 87 0 - 7.5-14.1 Violated in 10 structures by 0.52 A. Peak 11352 from cnoeabs.peaks (2.34, 0.62, 13.41 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: HB3 PHE 120 + QD1 ILE 5 OK 100 100 100 100 2.2-3.4 2.4/4709=78, 10566=50...(20) HG2 GLN 83 - QD1 ILE 18 far 0 76 0 - 6.8-7.8 HG3 GLU 112 - QD1 ILE 18 far 0 78 0 - 7.0-10.6 HG3 GLU 103 - QD1 ILE 5 far 0 70 0 - 7.4-12.3 HB3 PHE 120 - QD1 ILE 18 far 0 77 0 - 7.6-9.6 HG2 GLU 112 - QD1 ILE 18 far 0 77 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 11353 from cnoeabs.peaks (2.63, 0.62, 13.41 ppm; 4.94 A): 1 out of 7 assignments used, quality = 0.93: HG3 MET 121 + QD1 ILE 5 OK 93 94 100 100 1.8-5.0 10592=84, 1.8/10594=55...(11) HE2 LYS 53 - QD1 ILE 5 far 10 98 10 - 5.5-10.5 HE2 LYS 53 - QD1 ILE 54 far 0 74 0 - 6.8-9.9 HG3 MET 121 - QD1 ILE 18 far 0 69 0 - 7.5-9.1 HB3 ASP 12 - QD1 ILE 18 far 0 71 0 - 8.2-9.7 HB2 ASP 12 - QD1 ILE 18 far 0 71 0 - 8.5-9.8 HG3 MET 121 - QD1 ILE 54 far 0 69 0 - 8.8-12.9 Violated in 2 structures by 0.00 A. Peak 11354 from cnoeabs.peaks (2.07, 0.62, 13.41 ppm; 3.89 A): 3 out of 13 assignments used, quality = 1.00: HB3 PHE 79 + QD1 ILE 5 OK 100 100 100 100 3.1-5.3 1.8/10740=71...(24) HB3 MET 121 + QD1 ILE 5 OK 75 99 85 89 3.4-5.6 3.0/10592=46...(9) HB2 GLN 28 + QD1 ILE 54 OK 54 66 100 82 2.0-4.3 1.8/11481=48, ~11484=29...(6) HB2 GLU 103 - QD1 ILE 5 far 0 77 0 - 6.6-9.8 HB2 GLU 13 - QD1 ILE 18 far 0 71 0 - 6.8-7.7 HB2 GLU 112 - QD1 ILE 18 far 0 62 0 - 7.7-10.2 HB2 GLN 28 - QD1 ILE 5 far 0 92 0 - 7.7-10.7 HB3 GLU 112 - QD1 ILE 18 far 0 64 0 - 7.7-9.3 HG2 GLU 119 - QD1 ILE 5 far 0 99 0 - 7.8-9.4 HB3 PHE 79 - QD1 ILE 18 far 0 77 0 - 8.2-9.6 HG2 GLU 119 - QD1 ILE 18 far 0 76 0 - 8.5-11.3 HB3 MET 121 - QD1 ILE 18 far 0 75 0 - 8.6-10.3 HB2 GLU 47 - QD1 ILE 54 far 0 50 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 11355 from cnoeabs.peaks (9.17, 0.75, 17.84 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.76: H ILE 56 + QG2 ILE 54 OK 76 77 100 99 3.7-4.4 4.5/7565=57...(15) Violated in 0 structures by 0.00 A. Peak 11356 from cnoeabs.peaks (8.33, 0.62, 13.41 ppm; 4.77 A): 2 out of 6 assignments used, quality = 0.92: H GLN 28 + QD1 ILE 54 OK 75 76 100 99 3.1-5.8 9237=67, 9232/4.2=64...(10) H MET 121 + QD1 ILE 5 OK 69 70 100 99 2.8-4.5 4.6/4709=60...(14) H PHE 51 - QD1 ILE 54 far 7 72 10 - 4.1-9.0 H GLN 28 - QD1 ILE 5 far 5 99 5 - 6.2-9.0 H GLU 103 - QD1 ILE 5 far 0 73 0 - 7.1-10.1 H MET 121 - QD1 ILE 18 far 0 47 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 11357 from cnoeabs.peaks (7.12, 0.62, 13.41 ppm; 4.68 A): 1 out of 5 assignments used, quality = 0.73: QE PHE 120 + QD1 ILE 5 OK 73 77 95 100 5.1-6.3 2.2/4709=91, 9048/3.0=65...(14) QE PHE 120 - QD1 ILE 18 poor 12 53 55 43 5.6-6.9 9084/11581=24...(5) QD PHE 51 - QD1 ILE 54 far 0 78 0 - 6.5-9.6 QE PHE 93 - QD1 ILE 18 far 0 56 0 - 9.3-10.4 QD PHE 51 - QD1 ILE 5 far 0 100 0 - 9.5-12.7 Violated in 20 structures by 1.07 A. Peak 11358 from cnoeabs.peaks (8.80, 0.68, 26.27 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.80: H ILE 54 + QD1 LEU 55 OK 58 99 75 78 4.9-7.0 4.4/1360=35, ~9514=26...(7) H ILE 54 + QD2 LEU 4 OK 53 54 100 99 1.8-4.7 11714=64, 9485/3.8=61...(17) H SER 58 - QD1 LEU 55 lone 2 92 35 7 5.7-8.5 349/11137=4, 4.7/341=2 H ILE 18 - QD1 LEU 55 far 0 77 0 - 6.8-8.8 H ASN 59 - QD1 LEU 55 far 0 98 0 - 8.6-12.0 H SER 58 - QD2 LEU 4 far 0 46 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 11359 from cnoeabs.peaks (9.28, 5.06, 59.11 ppm; 4.41 A): 0 out of 0 assignments used, 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 = 0.77: H ARG 30 + QD1 ILE 56 OK 77 77 100 100 3.2-5.9 11361/344=71...(10) Violated in 1 structures by 0.05 A. Peak 11362 from cnoeabs.peaks (9.15, 0.71, 13.94 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.73: H ARG 30 + QD1 ILE 57 OK 73 77 100 95 2.1-3.8 11361/4.9=67...(7) Violated in 0 structures by 0.00 A. Peak 11364 from cnoeabs.peaks (3.96, 1.85, 26.77 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.96: HA MET 67 + HG LEU 70 OK 96 96 100 100 3.7-5.3 9769/2.1=98...(10) HB3 SER 35 - HG LEU 70 far 0 97 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 11365 from cnoeabs.peaks (2.19, 0.91, 25.18 ppm; 3.71 A): 3 out of 6 assignments used, quality = 1.00: HB2 MET 42 + QD1 LEU 70 OK 99 100 100 100 3.0-4.0 3.0/11368=58...(24) HB2 MET 67 + QD1 LEU 70 OK 85 94 95 95 3.6-5.5 3.0/9769=55, ~9770=25...(15) HB2 GLU 69 + QD1 LEU 70 OK 45 97 90 52 3.1-6.0 7649/5055=34...(3) HG3 GLU 66 - QD1 LEU 70 lone 14 97 75 19 3.9-5.5 5.0/9700=15, 10989/3556=4 HB3 GLU 37 - QD1 LEU 70 far 0 61 0 - 8.3-10.7 HB2 GLN 100 - QD1 LEU 70 far 0 73 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 11366 from cnoeabs.peaks (2.21, 0.90, 23.17 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.89: HB2 MET 42 + QD2 LEU 70 OK 77 77 100 100 2.0-4.3 3.0/11367=49...(25) HB2 GLU 69 + QD2 LEU 70 OK 51 99 85 61 4.8-6.7 7649/5062=48...(3) HB2 MET 67 - QD2 LEU 70 far 0 100 0 - 5.7-7.7 HG3 GLU 66 - QD2 LEU 70 far 0 61 0 - 6.1-7.6 Violated in 0 structures by 0.00 A. Peak 11367 from cnoeabs.peaks (2.67, 0.90, 23.17 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.61: HG2 MET 42 + QD2 LEU 70 OK 61 61 100 100 2.1-4.7 ~11369=70, 3.0/11366=46...(28) HB2 TYR 76 - QD2 LEU 70 far 0 90 0 - 7.7-9.9 HB3 ASP 36 - QD2 LEU 70 far 0 84 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 11368 from cnoeabs.peaks (2.65, 0.91, 25.18 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.99: HG2 MET 42 + QD1 LEU 70 OK 99 100 100 99 1.9-3.8 1.8/11369=68...(29) HB2 TYR 76 - QD1 LEU 70 far 0 90 0 - 8.4-10.2 HB3 ASP 36 - QD1 LEU 70 far 0 94 0 - 9.0-11.2 Violated in 2 structures by 0.01 A. Peak 11369 from cnoeabs.peaks (2.75, 0.91, 25.18 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.89: HG3 MET 42 + QD1 LEU 70 OK 89 90 100 100 1.9-3.5 1.8/11368=79...(30) HB2 ASP 60 - QD1 LEU 70 far 0 77 0 - 9.4-10.7 HE2 LYS 2 - QD1 LEU 70 far 0 96 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 11370 from cnoeabs.peaks (3.79, 1.69, 28.69 ppm; 4.64 A): 1 out of 8 assignments used, quality = 0.98: HA LEU 68 + HG12 ILE 71 OK 98 98 100 100 1.7-4.1 9760/2.1=87, 9758/1.8=77...(14) HA LYS 65 - HG12 ILE 71 far 0 94 0 - 6.7-8.8 HA LEU 68 - HD3 LYS 73 far 0 74 0 - 7.7-11.1 HA LEU 68 - HD2 LYS 73 far 0 78 0 - 8.0-11.9 HA LYS 65 - HD3 LYS 96 far 0 50 0 - 8.6-11.1 HA LYS 65 - HD2 LYS 96 far 0 43 0 - 8.9-11.1 HB2 SER 58 - HG12 ILE 71 far 0 99 0 - 9.8-11.5 HA LYS 65 - HD3 LYS 73 far 0 69 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 11371 from cnoeabs.peaks (4.36, 0.82, 18.37 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.96: HA SER 72 + QG2 ILE 71 OK 96 98 100 98 3.1-5.4 9807=63, 2.9/444=49...(9) Violated in 10 structures by 0.06 A. Peak 11375 from cnoeabs.peaks (4.25, 0.82, 25.82 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.90: HA ALA 46 + QD1 LEU 74 OK 77 99 90 86 3.4-6.0 2.1/9461=45, 9455/2.1=41...(5) HA LEU 74 + QD1 LEU 74 OK 57 57 100 100 2.3-4.0 4.0=100 HA GLU 41 - QD1 LEU 74 far 0 73 0 - 6.0-10.3 HA GLU 47 - QD1 LEU 74 far 0 100 0 - 6.9-9.3 HA GLU 52 - QD1 LEU 74 far 0 90 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 11376 from cnoeabs.peaks (7.10, 1.55, 24.91 ppm; 5.19 A): 0 out of 0 assignments used, quality = 0.00: Peak 11377 from cnoeabs.peaks (4.83, 0.72, 22.14 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 5 + QG2 VAL 78 OK 98 100 100 98 3.0-4.7 9894/4.1=71...(12) HA ILE 3 + QG2 VAL 78 OK 87 94 100 93 3.6-4.9 2/10665=63, ~10668=33...(11) HA ILE 54 - QG2 VAL 78 far 0 90 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 11378 from cnoeabs.peaks (1.45, 0.72, 22.14 ppm; 3.39 A): 3 out of 11 assignments used, quality = 1.00: HB2 LEU 4 + QG2 VAL 78 OK 88 96 100 92 1.8-2.3 11528=38, 1.8/11528=30...(18) HB3 LEU 4 + QG2 VAL 78 OK 88 96 100 92 2.4-3.3 11528=38, 1.8/11528=30...(18) HG LEU 4 + QG2 VAL 78 OK 75 98 100 76 2.7-4.8 2.9/11528=22...(13) HG12 ILE 56 - QG2 VAL 78 far 10 65 15 - 4.8-6.5 HB3 LEU 6 - QG2 VAL 78 far 0 84 0 - 5.0-5.9 HG LEU 80 - QG2 VAL 78 far 0 99 0 - 7.3-9.3 HG12 ILE 7 - QG2 VAL 78 far 0 81 0 - 8.3-10.0 HG3 ARG 30 - QG2 VAL 78 far 0 97 0 - 8.8-11.5 HG12 ILE 57 - QG2 VAL 78 far 0 77 0 - 9.1-10.9 HG3 LYS 44 - QG2 VAL 78 far 0 97 0 - 9.4-12.4 HB3 LEU 38 - QG2 VAL 78 far 0 73 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 11379 from cnoeabs.peaks (6.97, 7.10, 130.23 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.69: HZ PHE 79 + QE PHE 79 OK 69 69 100 100 2.2-2.2 2.2=100 QD TYR 102 - QE PHE 79 far 0 88 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 11380 from cnoeabs.peaks (0.64, 4.57, 55.95 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.73: QD1 ILE 5 + HA PHE 79 OK 73 87 85 99 4.5-6.9 10740/3.0=67...(14) QD1 ILE 71 - HA PHE 79 lone 3 65 40 12 5.9-8.3 9801/3.7=5, ~9899=4, 9916/496=3 QD1 LEU 4 - HA PHE 79 far 0 98 0 - 8.2-9.1 QG1 VAL 22 - HA PHE 79 far 0 100 0 - 9.8-11.2 Violated in 14 structures by 0.46 A. Peak 11381 from cnoeabs.peaks (1.93, 7.10, 130.23 ppm; 5.11 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 123 + QE PHE 79 OK 98 98 100 100 2.9-3.7 7083/11210=82...(8) HB2 LEU 127 + QE PHE 79 OK 78 98 80 100 4.8-7.0 3.1/10830=77, ~4666=56...(11) HG2 MET 121 - QE PHE 79 poor 13 65 20 - 6.4-7.6 HB2 LEU 81 - QE PHE 79 far 0 73 0 - 8.1-9.7 HB VAL 104 - QE PHE 79 far 0 83 0 - 9.2-11.2 HB3 GLU 52 - QE PHE 79 far 0 62 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 11382 from cnoeabs.peaks (1.07, 7.10, 130.23 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.90: QG2 ILE 3 + QE PHE 79 OK 90 90 100 100 2.1-3.5 9021=89, 4662/2.2=83...(15) HG2 LYS 53 - QE PHE 79 far 0 58 0 - 6.8-12.4 HG2 LYS 2 - QE PHE 79 far 0 98 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 11383 from cnoeabs.peaks (0.89, 1.75, 45.67 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 104 + HB2 LEU 80 OK 100 100 100 100 2.2-3.8 11092/3.1=71...(20) QD1 LEU 90 - HB2 LEU 80 far 0 73 0 - 6.9-11.0 QD2 LEU 90 - HB2 LEU 80 far 0 99 0 - 7.8-9.6 QG2 VAL 107 - HB2 LEU 80 far 0 61 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 11385 from cnoeabs.peaks (7.13, 1.35, 27.36 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.97: QE PHE 120 + HG LEU 81 OK 97 97 100 100 3.7-4.7 4732/2.1=89, 4731/3.0=74...(15) QE PHE 93 - HG LEU 81 far 0 98 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 11386 from cnoeabs.peaks (5.18, 1.35, 27.36 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 7 + HG LEU 81 OK 100 100 100 100 4.3-5.0 11616/3.0=95...(11) Violated in 0 structures by 0.00 A. Peak 11388 from cnoeabs.peaks (1.46, 0.79, 24.93 ppm; 3.01 A): 1 out of 5 assignments used, quality = 0.66: HG12 ILE 7 + QD1 LEU 81 OK 66 100 75 88 3.4-5.1 11389/2.1=55...(13) HG LEU 80 - QD1 LEU 81 far 0 61 0 - 5.7-8.1 HG2 LYS 106 - QD1 LEU 81 far 0 100 0 - 6.2-8.3 HB3 LEU 6 - QD1 LEU 81 far 0 100 0 - 7.1-7.7 HG12 ILE 57 - QD1 LEU 81 far 0 100 0 - 8.2-10.7 Violated in 20 structures by 1.18 A. Peak 11389 from cnoeabs.peaks (1.46, 0.71, 25.86 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.93: HG12 ILE 7 + QD2 LEU 81 OK 93 99 100 94 1.8-3.3 11388/2.1=70...(13) HG12 ILE 57 - QD2 LEU 81 far 0 99 0 - 6.2-8.5 HB3 LEU 6 - QD2 LEU 81 far 0 98 0 - 6.6-7.3 HG3 ARG 118 - QD2 LEU 81 far 0 61 0 - 6.6-8.7 HG2 LYS 106 - QD2 LEU 81 far 0 99 0 - 7.6-9.8 Violated in 2 structures by 0.00 A. Peak 11390 from cnoeabs.peaks (0.03, 1.35, 27.36 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: QG2 ILE 116 + HG LEU 81 OK 92 92 100 100 3.6-4.8 9958/2.1=99, ~11637=99...(19) Violated in 0 structures by 0.00 A. Peak 11392 from cnoeabs.peaks (2.06, 0.78, 26.01 ppm; 5.07 A): 2 out of 8 assignments used, quality = 0.94: HB2 LYS 94 + QD1 LEU 82 OK 92 92 100 100 3.0-6.5 3.0/11394=80...(9) HB3 GLU 98 + QD1 LEU 82 OK 28 97 70 42 5.9-7.8 11454/10231=18...(4) HB2 GLU 92 - QD1 LEU 82 lone 4 97 25 15 5.8-8.2 1619/10100=12, 10082/10091=3 HB3 PHE 79 - QD1 LEU 82 far 0 77 0 - 6.8-9.8 HB3 GLU 91 - QD1 LEU 82 far 0 94 0 - 6.9-9.6 HB3 GLN 100 - QD1 LEU 82 far 0 87 0 - 7.7-11.1 HB3 MET 67 - QD1 LEU 82 far 0 90 0 - 9.7-12.2 HB VAL 117 - QD1 LEU 82 far 0 84 0 - 9.7-12.0 Violated in 1 structures by 0.06 A. Peak 11393 from cnoeabs.peaks (2.27, 0.78, 24.57 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.98: HB3 ASN 8 + QD2 LEU 64 OK 98 99 100 99 3.5-4.0 9104/2.1=87, ~10448=55...(8) HG2 GLU 69 - QD2 LEU 64 lone 9 99 45 19 5.3-8.1 1456/4786=19 HG2 GLU 103 - QD2 LEU 64 far 0 84 0 - 8.5-11.5 HG3 GLU 92 - QD2 LEU 64 far 0 99 0 - 9.2-14.2 Violated in 0 structures by 0.00 A. Peak 11394 from cnoeabs.peaks (1.33, 0.78, 26.01 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.74: HG3 LYS 94 + QD1 LEU 82 OK 74 84 95 93 2.4-6.0 3.0/10980=50...(7) HG LEU 81 - QD1 LEU 82 far 9 87 10 - 4.4-6.6 HG3 LYS 65 - QD1 LEU 82 far 0 92 0 - 6.1-9.8 Violated in 7 structures by 0.17 A. Peak 11395 from cnoeabs.peaks (1.44, 0.82, 23.86 ppm; 3.94 A): 1 out of 8 assignments used, quality = 0.86: HG LEU 80 + QD2 LEU 82 OK 86 100 95 91 3.4-6.9 2.1/5585=26, 4.3/9977=23...(18) HG2 LYS 106 - QD2 LEU 82 far 10 65 15 - 2.3-8.7 HB3 LYS 61 - QD2 LEU 82 lone 0 92 45 1 4.9-9.3 HB3 LEU 6 - QD2 LEU 82 far 0 73 0 - 6.1-8.8 HG12 ILE 7 - QD2 LEU 82 far 0 70 0 - 6.8-8.6 HG2 LYS 96 - QD2 LEU 82 far 0 100 0 - 7.1-9.8 HB3 LEU 63 - QD2 LEU 82 far 0 73 0 - 8.9-12.0 HG12 ILE 57 - QD2 LEU 82 far 0 65 0 - 9.3-12.3 Violated in 12 structures by 0.26 A. Peak 11396 from cnoeabs.peaks (0.36, 0.82, 23.86 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.93: QD1 ILE 97 + QD2 LEU 82 OK 93 100 95 98 2.6-6.2 11397/2.1=75...(12) QD2 LEU 68 - QD2 LEU 82 far 0 61 0 - 6.3-8.8 Violated in 8 structures by 0.28 A. Peak 11397 from cnoeabs.peaks (0.37, 0.78, 26.01 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.96: QD1 ILE 97 + QD1 LEU 82 OK 96 98 100 98 1.9-4.9 11396/2.1=68...(16) QD2 LEU 68 - QD1 LEU 82 far 0 77 0 - 5.8-7.4 Violated in 4 structures by 0.08 A. Peak 11398 from cnoeabs.peaks (7.21, 0.78, 26.01 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.98: QD PHE 93 + QD1 LEU 82 OK 98 98 100 100 1.8-3.4 9983/2.1=69...(13) HE21 GLN 83 - QD1 LEU 82 far 0 81 0 - 8.0-10.0 HE22 GLN 83 - QD1 LEU 82 far 0 77 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 11399 from cnoeabs.peaks (6.81, 0.79, 24.93 ppm; 5.40 A): 0 out of 0 assignments used, quality = 0.00: Peak 11400 from cnoeabs.peaks (4.91, 0.79, 24.93 ppm; 5.70 A): 2 out of 3 assignments used, quality = 1.00: HA ARG 105 + QD1 LEU 81 OK 100 100 100 100 5.3-6.0 3.0/11633=100...(6) HA LEU 82 + QD1 LEU 81 OK 100 100 100 100 4.9-5.5 2.9/7720=98, ~516=63...(10) HA ILE 57 - QD1 LEU 81 far 0 100 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 11401 from cnoeabs.peaks (5.58, 0.79, 24.93 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.33: HA LYS 106 + QD1 LEU 81 OK 33 100 55 61 4.5-6.1 9974/7720=58...(3) Violated in 20 structures by 1.41 A. Peak 11402 from cnoeabs.peaks (8.56, 0.79, 24.93 ppm; 4.43 A): 0 out of 1 assignment used, quality = 0.00: H VAL 107 - QD1 LEU 81 poor 20 99 20 - 5.3-6.9 Violated in 20 structures by 1.74 A. Peak 11404 from cnoeabs.peaks (0.89, 2.17, 29.33 ppm; 3.99 A): 1 out of 6 assignments used, quality = 0.76: QG2 VAL 104 + HB2 GLU 98 OK 76 90 85 99 3.0-6.8 10161/2.9=58...(10) QD2 LEU 90 - HB2 GLN 85 far 0 99 0 - 5.9-7.5 QD1 LEU 90 - HB2 GLN 85 far 0 73 0 - 6.1-9.0 QD1 LEU 90 - HB2 GLU 98 far 0 61 0 - 7.1-11.9 QG2 VAL 107 - HB2 GLN 85 far 0 61 0 - 7.6-9.5 QD2 LEU 90 - HB2 GLU 98 far 0 88 0 - 8.6-11.8 Violated in 17 structures by 0.83 A. Peak 11406 from cnoeabs.peaks (0.88, 2.40, 33.72 ppm; 5.34 A): 3 out of 10 assignments used, quality = 0.66: QD2 LEU 38 + HG3 GLN 62 OK 36 82 95 47 4.7-8.0 11527/11046=17...(6) QD2 LEU 90 + HG3 GLN 85 OK 27 100 45 60 6.3-7.6 10029/5.0=56, 10046/541=9 QD2 LEU 38 + HG2 GLN 62 OK 27 78 75 46 4.5-8.1 11527/11046=18...(6) QD2 LEU 90 - HG2 GLN 85 poor 15 99 25 60 6.1-8.4 10029/5.0=56, 10046/541=9 QG1 VAL 32 - HG3 GLN 62 lone 10 76 75 18 5.8-8.8 9671/7609=11, 11252/11046=7 QG1 VAL 32 - HG2 GLN 62 lone 8 73 60 18 5.9-8.2 9671/7609=11, 11252/11046=7 QG2 VAL 107 - HG3 GLN 85 lone 0 90 40 1 6.4-9.6 QG2 VAL 107 - HG2 GLN 85 lone 0 89 35 1 5.5-9.9 QG2 VAL 117 - HG2 GLN 122 far 0 61 0 - 8.0-8.6 QG2 THR 9 - HG3 GLN 85 far 0 73 0 - 9.8-13.8 Violated in 2 structures by 0.06 A. Peak 11407 from cnoeabs.peaks (0.75, 2.40, 33.72 ppm; 5.34 A): 2 out of 12 assignments used, quality = 0.83: QD1 LEU 63 + HG3 GLN 62 OK 60 79 100 75 3.7-6.4 9665/5.2=41...(7) QD1 LEU 63 + HG2 GLN 62 OK 58 76 100 76 3.8-5.7 9665/5.2=41...(7) QG1 VAL 107 - HG3 GLN 85 poor 18 90 20 - 6.2-8.7 QG1 VAL 107 - HG2 GLN 85 poor 18 89 20 - 6.4-9.1 QD2 LEU 14 - HG3 GLN 85 far 13 90 15 - 6.0-11.0 QD2 LEU 14 - HG2 GLN 85 far 0 89 0 - 6.9-10.5 QG2 VAL 32 - HG3 GLN 62 far 0 79 0 - 8.2-11.2 QG2 VAL 32 - HG2 GLN 62 far 0 76 0 - 8.2-10.6 QD2 LEU 6 - HG3 GLN 62 far 0 60 0 - 9.0-12.0 QD2 LEU 6 - HG2 GLN 62 far 0 57 0 - 9.0-11.1 QD1 ILE 7 - HG2 GLN 122 far 0 58 0 - 9.0-11.2 QD2 LEU 55 - HG2 GLN 122 far 0 55 0 - 9.5-11.5 Violated in 1 structures by 0.00 A. Peak 11409 from cnoeabs.peaks (1.26, 2.04, 29.57 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.89: QG2 THR 108 + HB3 GLU 87 OK 70 94 85 87 3.4-8.3 11410/3.0=57...(5) QG2 THR 108 + HB3 GLN 85 OK 63 64 100 98 3.3-5.4 10030/3.0=76...(6) Violated in 0 structures by 0.00 A. Peak 11410 from cnoeabs.peaks (1.25, 4.04, 58.52 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.87: QG2 THR 108 + HA GLU 87 OK 87 99 95 93 4.2-7.6 10330=63, 11409/3.0=39...(6) Violated in 4 structures by 0.21 A. Peak 11411 from cnoeabs.peaks (4.33, 0.88, 22.01 ppm; 4.41 A): 2 out of 5 assignments used, quality = 0.97: HA GLU 98 + QG2 VAL 104 OK 94 99 95 100 2.5-6.0 10161=98, 3.0/11510=77...(14) HA PHE 93 + QG2 VAL 104 OK 53 94 65 87 4.9-6.7 ~10235=34, 3.7/4668=29...(11) HA SER 99 - QG2 VAL 104 far 0 87 0 - 6.3-9.3 HB THR 9 - QG2 VAL 104 far 0 92 0 - 8.5-12.3 HB THR 9 - QG2 VAL 29 far 0 53 0 - 9.5-11.7 Violated in 4 structures by 0.06 A. Peak 11414 from cnoeabs.peaks (7.12, 1.86, 32.95 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.70: QE PHE 120 + HB2 ARG 105 OK 70 70 100 100 3.4-4.8 10254/3.0=81, ~4714=80...(12) QE PHE 93 - HB2 ARG 105 far 0 73 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 11415 from cnoeabs.peaks (0.04, 1.86, 32.95 ppm; 5.67 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 116 + HB2 ARG 105 OK 96 96 100 100 1.9-3.4 10272/1.8=84...(13) Violated in 0 structures by 0.00 A. Peak 11416 from cnoeabs.peaks (0.67, 2.11, 35.31 ppm; 3.37 A): 3 out of 8 assignments used, quality = 0.99: QD2 LEU 114 + HG3 GLU 21 OK 88 100 95 93 1.9-5.4 10446/3.0=50, 10447=39...(12) QD2 LEU 114 + HG2 GLU 21 OK 74 100 80 93 2.3-5.8 10446/3.0=50, 10447=33...(12) QD1 ILE 116 + HB VAL 107 OK 61 68 100 90 1.8-4.5 11417/2.1=63, 10498=18...(13) QD1 LEU 55 - HG2 GLU 21 far 0 81 0 - 5.5-10.3 QD1 LEU 55 - HG3 GLU 21 far 0 80 0 - 6.6-10.2 QD2 LEU 114 - HB VAL 107 far 0 79 0 - 6.8-9.3 QD1 ILE 116 - HG3 GLU 21 far 0 91 0 - 8.5-10.4 QD1 ILE 116 - HG2 GLU 21 far 0 92 0 - 9.2-11.7 Violated in 3 structures by 0.01 A. Peak 11417 from cnoeabs.peaks (0.67, 0.87, 20.76 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.89: QD1 ILE 116 + QG2 VAL 107 OK 89 98 100 91 1.9-4.5 3.2/11185=28...(21) QD2 LEU 114 - QG2 VAL 107 far 10 99 10 - 4.7-7.3 Violated in 7 structures by 0.14 A. Peak 11419 from cnoeabs.peaks (0.86, 2.68, 40.30 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 14 + HB3 ASP 110 OK 100 100 100 100 4.0-4.9 10910/1.8=78...(14) QG2 VAL 107 - HB3 ASP 110 far 0 96 0 - 5.8-7.1 QG2 THR 9 - HB3 ASP 110 far 0 100 0 - 7.4-9.5 QG2 VAL 117 - HB3 ASP 110 far 0 99 0 - 8.3-9.3 Violated in 16 structures by 0.27 A. Peak 11420 from cnoeabs.peaks (0.78, 2.68, 40.30 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.61: QD2 LEU 14 + HB3 ASP 110 OK 61 61 100 100 2.5-4.7 2.1/11419=93, ~10910=71...(13) QG1 VAL 107 - HB3 ASP 110 poor 15 61 25 - 5.8-8.2 QD1 ILE 15 - HB3 ASP 110 far 0 65 0 - 8.7-11.3 QD1 LEU 81 - HB3 ASP 110 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 11422 from cnoeabs.peaks (0.80, 3.99, 59.36 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 114 + HA GLU 111 OK 98 99 100 100 1.9-4.3 3.1/8238=61...(15) QD1 LEU 81 - HA GLU 111 far 0 90 0 - 7.0-8.3 Violated in 1 structures by 0.03 A. Peak 11423 from cnoeabs.peaks (0.67, 3.99, 59.36 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 114 + HA GLU 111 OK 100 100 100 100 1.8-5.4 2.1/11422=88...(15) QD1 ILE 116 - HA GLU 111 far 0 90 0 - 6.7-8.6 Violated in 8 structures by 0.23 A. Peak 11424 from cnoeabs.peaks (4.02, 1.63, 25.30 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.98: HA GLU 13 + HG2 LYS 16 OK 98 100 100 99 2.4-4.4 11425/1.8=80, 1989/86=50...(7) Violated in 1 structures by 0.01 A. Peak 11425 from cnoeabs.peaks (4.02, 1.40, 25.30 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.97: HA GLU 13 + HG3 LYS 16 OK 97 100 100 97 2.3-4.6 11424/1.8=72, 1989/87=48...(8) Violated in 1 structures by 0.02 A. Peak 11427 from cnoeabs.peaks (4.05, 1.88, 27.31 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.91: HA GLU 92 + HG2 ARG 95 OK 73 77 100 94 2.4-3.8 2159/1631=60...(8) HA LYS 96 + HG2 ARG 95 OK 65 65 100 100 3.4-6.1 2.9/607=88, ~7792=48...(15) HA GLU 87 - HG2 ARG 95 far 0 87 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 11429 from cnoeabs.peaks (1.82, 2.52, 33.39 ppm; 4.00 A): 2 out of 7 assignments used, quality = 0.98: QE MET 121 + HG3 GLN 25 OK 97 98 100 99 2.0-4.4 11448/1.8=68, 10597=66...(6) QE MET 121 + HG3 GLN 122 OK 39 88 85 52 3.3-6.2 775/1805=33, 10597=17...(4) HG12 ILE 5 - HG3 GLN 25 far 0 70 0 - 6.3-10.7 HD2 LYS 123 - HG3 GLN 122 far 0 52 0 - 7.2-9.0 HG12 ILE 5 - HG3 GLN 122 far 0 59 0 - 8.2-12.3 HB ILE 3 - HG3 GLN 25 far 0 65 0 - 8.2-12.8 HB3 LYS 19 - HG3 GLN 25 far 0 92 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.90: HG3 GLN 25 + HB3 GLN 25 OK 90 90 100 100 2.2-2.7 3.0=100 HG3 GLN 122 - HB3 GLN 25 far 0 81 0 - 6.1-10.4 Violated in 0 structures by 0.00 A. Peak 11433 from cnoeabs.peaks (2.37, 2.81, 29.02 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.95: HG2 GLN 25 + HB3 GLN 25 OK 87 87 100 100 2.4-3.0 3.0=100 HB3 TYR 27 + HB3 GLN 25 OK 59 100 60 98 4.1-6.9 2.5/4578=67, ~4571=57...(9) Violated in 0 structures by 0.00 A. Peak 11434 from cnoeabs.peaks (2.02, 2.81, 29.02 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: HB2 GLN 25 + HB3 GLN 25 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 128 - HB3 GLN 25 far 0 99 0 - 7.8-12.1 HG2 GLU 128 - HB3 GLN 25 far 0 99 0 - 8.7-13.2 Violated in 0 structures by 0.00 A. Peak 11435 from cnoeabs.peaks (2.38, 2.02, 29.02 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.98: HG2 GLN 25 + HB2 GLN 25 OK 97 97 100 100 2.2-2.7 3.0=100 HB3 TYR 27 + HB2 GLN 25 OK 21 99 25 83 3.4-5.7 2.5/4571=50, ~4578=26...(7) Violated in 0 structures by 0.00 A. Peak 11436 from cnoeabs.peaks (2.51, 2.02, 29.02 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.97: HG3 GLN 25 + HB2 GLN 25 OK 97 97 100 100 2.3-3.0 3.0=100 HG3 GLN 122 - HB2 GLN 25 far 0 92 0 - 6.8-9.8 Violated in 0 structures by 0.00 A. 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 92 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 99 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 98 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 11440 from cnoeabs.peaks (6.78, 2.81, 29.02 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 27 + HB3 GLN 25 OK 99 99 100 100 2.0-5.8 4571/1.8=98, 4578=90...(13) QD PHE 120 - HB3 GLN 25 far 0 97 0 - 9.2-11.8 Violated in 1 structures by 0.05 A. 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 99 100 100 2.8-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 11442 from cnoeabs.peaks (6.57, 2.81, 29.02 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.73: QE TYR 27 + HB3 GLN 25 OK 73 73 100 100 2.5-7.0 2.2/4578=89, ~4571=86...(11) Violated in 2 structures by 0.08 A. Peak 11443 from cnoeabs.peaks (6.58, 2.02, 29.02 ppm; 6.10 A): 1 out of 1 assignment used, quality = 0.97: QE TYR 27 + HB2 GLN 25 OK 97 97 100 100 3.2-6.6 2.2/4571=100...(9) Violated in 1 structures by 0.03 A. Peak 11444 from cnoeabs.peaks (6.79, 2.02, 29.02 ppm; 5.16 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 27 + HB2 GLN 25 OK 100 100 100 100 2.0-5.3 4571=100, 4578/1.8=98...(12) QD PHE 120 - HB2 GLN 25 far 0 100 0 - 9.4-11.7 Violated in 1 structures by 0.01 A. 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 99 100 100 2.0-4.5 4.4=100 Violated in 4 structures by 0.00 A. Peak 11446 from cnoeabs.peaks (4.11, 2.81, 29.02 ppm; 5.47 A): 0 out of 1 assignment used, quality = 0.00: HA3 GLY 26 - HB3 GLN 25 poor 15 73 100 20 4.2-5.3 4577/4578=19 Violated in 0 structures by 0.00 A. Peak 11448 from cnoeabs.peaks (1.82, 2.38, 33.39 ppm; 4.30 A): 1 out of 3 assignments used, quality = 0.97: QE MET 121 + HG2 GLN 25 OK 97 98 100 98 1.9-5.3 10597/1.8=70...(7) HG12 ILE 5 - HG2 GLN 25 far 0 70 0 - 7.7-11.6 HB ILE 3 - HG2 GLN 25 far 0 65 0 - 8.4-14.0 Violated in 7 structures by 0.18 A. Peak 11449 from cnoeabs.peaks (4.11, 2.02, 29.02 ppm; 3.48 A): 0 out of 1 assignment used, quality = 0.00: HA3 GLY 26 - HB2 GLN 25 far 7 73 10 - 4.7-5.9 Violated in 20 structures by 1.87 A. Peak 11450 from cnoeabs.peaks (2.02, 4.13, 62.80 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.84: HB2 GLN 25 + HA VAL 22 OK 84 100 100 84 2.6-4.1 3.0/11521=41...(7) HB2 GLU 66 - HB3 SER 72 far 0 50 0 - 9.6-12.2 HB2 GLU 66 - HB2 SER 72 far 0 50 0 - 9.8-12.5 Violated in 9 structures by 0.09 A. 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 94 100 100 3.2-4.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 11454 from cnoeabs.peaks (2.06, 0.93, 20.69 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: HB3 GLU 98 + QG1 VAL 104 OK 95 96 100 99 1.9-5.0 1.8/11455=63...(15) HB2 LYS 94 + QG1 VAL 104 OK 91 94 100 97 1.9-4.2 3.0/10236=58...(12) HB3 GLU 91 - QG1 VAL 104 far 0 96 0 - 6.2-7.6 HB3 GLN 100 - QG1 VAL 104 far 0 84 0 - 6.6-9.3 HB3 PHE 79 - QG1 VAL 104 far 0 81 0 - 7.2-9.0 HB2 GLU 92 - QG1 VAL 104 far 0 96 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 11455 from cnoeabs.peaks (2.17, 0.93, 20.69 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.87: HB2 GLU 98 + QG1 VAL 104 OK 87 87 100 100 1.8-5.8 11404/2.1=82...(12) Violated in 7 structures by 0.22 A. Peak 11456 from cnoeabs.peaks (1.58, 2.12, 35.23 ppm; 6.20 A): 1 out of 12 assignments used, quality = 1.00: HG12 ILE 116 + HB VAL 107 OK 100 100 100 100 2.4-4.6 ~11417=94, ~11185=68...(12) HG LEU 82 - HB VAL 107 poor 15 73 20 - 6.9-9.5 HG LEU 55 - HG2 GLU 21 far 0 51 0 - 8.1-12.0 HG3 LYS 19 - HG2 GLU 21 far 0 57 0 - 8.2-11.6 HG3 LYS 19 - HG3 GLU 21 far 0 49 0 - 8.3-11.5 HG12 ILE 116 - HG3 GLU 21 far 0 70 0 - 8.8-12.0 HD2 LYS 19 - HG2 GLU 21 far 0 63 0 - 9.0-12.1 HD2 LYS 19 - HG3 GLU 21 far 0 54 0 - 9.2-11.9 HG LEU 55 - HG3 GLU 21 far 0 44 0 - 9.2-12.4 HD3 LYS 19 - HG2 GLU 21 far 0 63 0 - 9.3-12.1 HG12 ILE 116 - HG2 GLU 21 far 0 79 0 - 9.4-13.1 HD3 LYS 19 - HG3 GLU 21 far 0 54 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 11457 from cnoeabs.peaks (1.33, 0.87, 20.76 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.83: HG LEU 81 + QG2 VAL 107 OK 83 87 100 95 5.0-5.8 11458/2.1=73, ~11607=63...(5) HG3 LYS 94 - QG2 VAL 107 far 0 84 0 - 8.4-11.5 Violated in 20 structures by 1.02 A. Peak 11458 from cnoeabs.peaks (1.34, 0.76, 21.72 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.93: HG LEU 81 + QG1 VAL 107 OK 93 100 100 93 3.1-4.0 11457/2.1=51, ~11607=50...(8) HB3 LEU 81 - QG1 VAL 107 far 8 84 10 - 5.3-6.3 Violated in 4 structures by 0.01 A. Peak 11459 from cnoeabs.peaks (1.91, 0.87, 20.76 ppm; 4.83 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 81 - QG2 VAL 107 far 0 84 0 - 7.1-8.1 HB3 LYS 17 - QG2 VAL 107 far 0 73 0 - 8.5-11.3 HB ILE 7 - QG2 VAL 107 far 0 81 0 - 9.5-10.9 Violated in 20 structures by 2.24 A. Peak 11460 from cnoeabs.peaks (1.79, 0.87, 20.76 ppm; 4.99 A): 0 out of 2 assignments used, quality = 0.00: HG2 ARG 105 - QG2 VAL 107 poor 14 65 65 32 5.0-8.0 11016/11417=18...(3) HB2 LEU 90 - QG2 VAL 107 far 0 90 0 - 7.6-9.0 Violated in 19 structures by 1.11 A. Peak 11462 from cnoeabs.peaks (2.85, 2.29, 36.01 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.85: HB2 ASN 88 + HG3 GLU 87 OK 64 89 95 75 3.1-6.4 1580/5.0=50...(6) HB2 ASN 88 + HG2 GLU 87 OK 59 89 90 73 3.4-6.1 1580/5.0=50...(6) HE2 LYS 17 - HG2 GLU 111 lone 4 100 55 6 3.2-10.1 2881/3.9=6 HB3 TYR 76 - HG2 GLU 69 far 0 63 0 - 9.9-14.3 Violated in 4 structures by 0.03 A. Peak 11463 from cnoeabs.peaks (1.65, 4.00, 58.75 ppm; 3.53 A): 2 out of 3 assignments used, quality = 0.97: HD3 LYS 115 + HA GLU 112 OK 87 94 100 92 2.4-4.5 10461=35, 2.9/10462=29...(14) HD2 LYS 115 + HA GLU 112 OK 81 98 90 92 1.8-5.1 2.9/10462=29...(14) HG LEU 114 - HA GLU 112 poor 16 100 25 65 4.1-8.0 11466=21, 7884/8244=20...(8) Violated in 4 structures by 0.01 A. Peak 11464 from cnoeabs.peaks (0.78, 2.34, 36.01 ppm; 4.17 A): 2 out of 10 assignments used, quality = 0.71: QG1 VAL 107 + HG2 GLU 112 OK 58 84 75 93 3.4-6.4 2.1/11465=37, 11020=27...(12) QG1 VAL 107 + HG3 GLU 112 OK 31 84 40 92 3.3-6.2 2.1/11465=37...(12) QD1 LEU 81 - HG3 GLU 112 poor 5 84 25 25 4.5-8.3 10493/10907=14...(3) QD1 LEU 81 - HG2 GLU 112 far 4 84 5 - 5.5-8.2 QD2 LEU 14 - HG3 GLU 112 far 0 84 0 - 7.3-9.7 QD2 LEU 14 - HG2 GLU 112 far 0 84 0 - 7.6-9.1 QD1 LEU 82 - HG2 GLU 112 far 0 100 0 - 8.2-13.1 QD1 ILE 7 - HG3 GLU 112 far 0 94 0 - 9.4-13.4 QD1 LEU 82 - HG3 GLU 112 far 0 100 0 - 9.6-13.1 QD1 ILE 7 - HG2 GLU 112 far 0 94 0 - 9.7-13.0 Violated in 14 structures by 0.54 A. Peak 11465 from cnoeabs.peaks (0.87, 2.34, 36.01 ppm; 4.09 A): 2 out of 11 assignments used, quality = 1.00: QG2 VAL 107 + HG3 GLU 112 OK 96 100 100 96 1.9-4.4 11021=32, ~11464=30...(16) QG2 VAL 107 + HG2 GLU 112 OK 96 100 100 96 1.9-4.3 2.1/11464=43, 11021=32...(16) QG2 VAL 117 - HG3 GLU 112 far 0 100 0 - 6.1-8.9 QD1 LEU 14 - HG3 GLU 112 far 0 94 0 - 6.2-8.3 QD1 LEU 14 - HG2 GLU 112 far 0 94 0 - 6.8-8.1 QG2 VAL 117 - HG2 GLU 112 far 0 100 0 - 6.8-8.6 QD2 LEU 90 - HG2 GLU 112 far 0 80 0 - 7.0-10.7 QD2 LEU 90 - HG3 GLU 112 far 0 81 0 - 7.2-11.0 QG2 VAL 104 - HG2 GLU 112 far 0 73 0 - 9.5-14.2 QG2 VAL 104 - HG3 GLU 112 far 0 73 0 - 9.5-14.5 QG2 THR 9 - HG3 GLU 112 far 0 99 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 11466 from cnoeabs.peaks (4.01, 1.65, 26.77 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.55: HA GLU 112 + HG LEU 114 OK 43 90 65 74 4.1-8.0 8244/7884=33...(8) HA LYS 17 + HG LEU 114 OK 21 73 35 83 4.4-7.6 ~10914=51, ~10915=48...(5) HA GLU 66 - HG LEU 64 far 0 50 0 - 7.3-9.3 HA GLU 13 - HG LEU 114 far 0 65 0 - 7.4-10.1 Violated in 14 structures by 0.39 A. Peak 11467 from cnoeabs.peaks (2.31, 1.66, 29.55 ppm; 4.13 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLU 92 - HD3 LYS 65 far 0 93 0 - 9.4-15.2 HG2 GLU 92 - HD2 LYS 65 far 0 96 0 - 9.5-16.1 Violated in 20 structures by 6.93 A. Peak 11468 from cnoeabs.peaks (2.40, 1.66, 29.55 ppm; 4.28 A): 0 out of 14 assignments used, quality = 0.00: HG2 GLU 66 - HD3 LYS 65 poor 17 83 20 - 2.5-9.9 HG3 GLN 62 - HD2 LYS 65 far 13 90 15 - 4.9-9.5 HG2 GLN 62 - HD2 LYS 65 far 9 87 10 - 5.3-9.5 HG3 GLN 62 - HD3 LYS 65 far 9 85 10 - 4.8-9.6 HG2 GLN 62 - HD3 LYS 65 far 4 83 5 - 5.4-9.4 HG2 GLU 66 - HD2 LYS 65 lone 0 87 40 1 2.0-8.8 HG3 MET 67 - HD3 LYS 65 far 0 91 0 - 6.0-11.2 HG3 MET 67 - HD2 LYS 65 far 0 95 0 - 6.1-10.7 HB2 ASP 110 - HD2 LYS 115 far 0 81 0 - 7.8-12.9 HG2 GLN 122 - HD3 LYS 115 far 0 98 0 - 7.9-12.2 HB2 ASP 110 - HD3 LYS 115 far 0 79 0 - 8.0-11.9 HG2 GLN 122 - HD2 LYS 115 far 0 99 0 - 8.6-12.1 HG2 GLN 25 - HD2 LYS 115 far 0 61 0 - 9.7-16.0 HG2 GLN 25 - HD3 LYS 115 far 0 60 0 - 9.9-17.1 Violated in 15 structures by 0.82 A. Peak 11469 from cnoeabs.peaks (2.94, 2.12, 28.96 ppm; 6.04 A): 2 out of 10 assignments used, quality = 0.46: HE3 LYS 106 + HB2 GLU 91 OK 27 64 75 57 4.3-9.4 10077/1599=39, ~11540=25 HE2 LYS 106 + HB2 GLU 91 OK 26 67 75 52 3.9-9.3 10077/1599=31, ~11540=25 HB2 ASP 86 - HB2 GLU 91 far 11 76 15 - 6.9-9.6 HB2 ASP 86 - HB3 GLU 92 far 3 68 5 - 7.5-11.1 HE2 LYS 96 - HB3 GLU 92 lone 3 75 95 4 3.4-8.0 ~7072=3 HE3 LYS 96 - HB3 GLU 92 lone 3 75 90 4 3.5-8.1 ~7072=3 HE2 LYS 96 - HB2 GLU 91 far 0 83 0 - 8.0-11.3 HE3 LYS 96 - HB2 GLU 91 far 0 83 0 - 8.2-11.0 HE2 LYS 106 - HB3 GLU 92 far 0 60 0 - 8.4-13.5 HE3 LYS 106 - HB3 GLU 92 far 0 57 0 - 8.4-12.8 Violated in 6 structures by 0.45 A. Peak 11470 from cnoeabs.peaks (1.84, 4.02, 56.87 ppm; 4.77 A): 1 out of 6 assignments used, quality = 1.00: HD2 LYS 123 + HA PHE 120 OK 100 100 100 100 3.3-4.4 7083/8297=83...(8) QE MET 121 - HA PHE 120 poor 18 81 30 73 5.1-7.4 1799/3.6=53...(6) HG LEU 127 - HA PHE 120 far 0 81 0 - 7.2-9.1 HB2 ARG 105 - HA PHE 120 far 0 84 0 - 7.9-9.7 HB3 LYS 77 - HA PHE 120 far 0 100 0 - 8.4-9.7 HB2 LYS 77 - HA PHE 120 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 11471 from cnoeabs.peaks (1.36, 1.01, 25.52 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.96: HG2 LYS 77 + QD1 LEU 127 OK 96 96 100 100 1.8-3.0 11287=88, 1.8/11289=78...(24) Violated in 0 structures by 0.00 A. Peak 11472 from cnoeabs.peaks (1.36, 0.93, 22.96 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.96: HG2 LYS 77 + QD2 LEU 127 OK 96 96 100 100 3.1-4.8 11471/2.1=86, 11288=67...(20) Violated in 0 structures by 0.00 A. Peak 11473 from cnoeabs.peaks (0.78, 1.99, 33.06 ppm; 4.29 A): 1 out of 5 assignments used, quality = 0.69: QD2 LEU 14 + HB2 LYS 17 OK 69 87 80 99 4.2-6.2 2.1/11474=71, ~11476=56...(7) QD1 ILE 15 - HB2 LYS 17 far 0 90 0 - 7.0-9.1 QD1 ILE 7 - HB2 LYS 17 far 0 96 0 - 7.6-10.6 QD1 LEU 81 - HB2 LYS 17 far 0 81 0 - 8.0-10.2 QG1 VAL 107 - HB2 LYS 17 far 0 87 0 - 8.2-10.6 Violated in 18 structures by 1.10 A. Peak 11474 from cnoeabs.peaks (0.85, 1.99, 33.06 ppm; 4.40 A): 1 out of 8 assignments used, quality = 0.87: QD1 LEU 14 + HB2 LYS 17 OK 87 87 100 100 3.2-4.6 11476/1.8=87...(10) QG2 VAL 117 - HB2 LYS 17 far 7 65 10 - 5.5-7.8 QG2 THR 9 - HB2 LYS 17 far 4 73 5 - 5.7-8.1 QG2 ILE 15 - HB2 LYS 17 far 0 100 0 - 6.4-7.9 QG2 VAL 22 - HB2 LYS 17 far 0 97 0 - 7.1-7.9 QG2 ILE 57 - HB2 LYS 17 far 0 97 0 - 7.4-9.3 HG13 ILE 57 - HB2 LYS 17 far 0 87 0 - 9.7-12.6 QG2 ILE 5 - HB2 LYS 17 far 0 98 0 - 10.0-12.3 Violated in 5 structures by 0.02 A. Peak 11475 from cnoeabs.peaks (0.78, 1.92, 33.06 ppm; 3.87 A): 0 out of 3 assignments used, quality = 0.00: QD1 ILE 7 - HB3 LYS 17 far 0 70 0 - 7.4-10.3 QG1 VAL 29 - HB3 LYS 17 far 0 73 0 - 7.9-9.7 QD1 LEU 81 - HB3 LYS 17 far 0 99 0 - 7.9-10.2 Violated in 20 structures by 3.44 A. Peak 11476 from cnoeabs.peaks (0.85, 1.92, 33.06 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.86: QD1 LEU 14 + HB3 LYS 17 OK 86 87 100 99 3.1-3.9 11474/1.8=65...(12) QG2 VAL 117 - HB3 LYS 17 far 0 65 0 - 5.6-7.9 QG2 THR 9 - HB3 LYS 17 far 0 73 0 - 5.9-7.4 QG2 ILE 15 - HB3 LYS 17 far 0 100 0 - 6.3-7.7 QG2 VAL 22 - HB3 LYS 17 far 0 97 0 - 7.1-8.0 QG2 ILE 57 - HB3 LYS 17 far 0 97 0 - 7.1-8.8 HG13 ILE 57 - HB3 LYS 17 far 0 87 0 - 9.2-12.1 QG2 ILE 5 - HB3 LYS 17 far 0 98 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 11477 from cnoeabs.peaks (0.77, 1.68, 29.70 ppm; 4.14 A): 1 out of 4 assignments used, quality = 0.98: QD2 LEU 14 + HD2 LYS 17 OK 98 99 100 99 3.4-5.1 2.1/11478=76...(10) QG1 VAL 107 - HD2 LYS 17 far 0 99 0 - 7.5-10.3 QD1 ILE 15 - HD2 LYS 17 far 0 100 0 - 7.7-9.5 QD1 ILE 7 - HD2 LYS 17 far 0 100 0 - 9.1-11.1 Violated in 6 structures by 0.10 A. Peak 11478 from cnoeabs.peaks (0.85, 1.68, 29.70 ppm; 3.96 A): 1 out of 6 assignments used, quality = 0.86: QD1 LEU 14 + HD2 LYS 17 OK 86 87 100 99 2.0-4.4 2.1/11477=67...(12) QG2 THR 9 - HD2 LYS 17 far 0 73 0 - 6.6-8.4 QG2 VAL 117 - HD2 LYS 17 far 0 65 0 - 6.7-8.8 QG2 ILE 15 - HD2 LYS 17 far 0 100 0 - 7.4-8.9 QG2 VAL 22 - HD2 LYS 17 far 0 97 0 - 8.8-10.1 QG2 ILE 57 - HD2 LYS 17 far 0 97 0 - 8.9-10.5 Violated in 5 structures by 0.07 A. Peak 11479 from cnoeabs.peaks (0.77, 1.52, 29.70 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 14 + HD3 LYS 17 OK 99 99 100 100 3.1-4.5 11477/1.8=90, ~11478=65...(11) QG1 VAL 107 - HD3 LYS 17 far 0 99 0 - 7.6-10.5 QD1 ILE 15 - HD3 LYS 17 far 0 100 0 - 7.6-9.3 QD1 ILE 7 - HD3 LYS 17 far 0 100 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 11480 from cnoeabs.peaks (0.84, 1.52, 29.70 ppm; 4.18 A): 0 out of 3 assignments used, quality = 0.00: QG2 ILE 15 - HD3 LYS 17 far 0 96 0 - 7.6-8.9 QG2 VAL 22 - HD3 LYS 17 far 0 77 0 - 8.0-10.4 QG2 ILE 57 - HD3 LYS 17 far 0 100 0 - 8.7-10.8 Violated in 20 structures by 3.23 A. Peak 11481 from cnoeabs.peaks (0.64, 1.78, 30.45 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.98: QD1 ILE 54 + HB3 GLN 28 OK 98 100 100 98 1.9-4.2 4407/11484=63...(10) QD1 LEU 4 - HB3 GLN 28 far 10 97 10 - 5.8-9.1 QG1 VAL 22 - HB3 GLN 28 far 0 100 0 - 7.5-9.0 QD1 ILE 5 - HB3 GLN 28 far 0 90 0 - 7.6-11.1 QD1 ILE 71 - HB3 GLN 28 far 0 61 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 11482 from cnoeabs.peaks (0.65, 2.20, 33.72 ppm; 5.32 A): 3 out of 8 assignments used, quality = 0.94: QD1 ILE 54 + HG3 GLN 28 OK 68 70 100 98 2.2-4.9 11483/1.8=72...(6) QD1 ILE 71 + HB2 MET 67 OK 63 63 100 100 2.5-5.6 9779/1.8=93, 9781/3.0=85...(12) QD1 ILE 56 + HB2 MET 67 OK 47 55 95 90 4.1-6.9 9726/4950=60, ~9709=46...(6) QD1 LEU 4 - HB2 MET 67 far 8 53 15 - 6.2-10.0 QD1 ILE 56 - HG3 GLN 28 lone 0 94 30 1 6.2-11.0 QD1 LEU 4 - HG3 GLN 28 far 0 92 0 - 7.0-9.7 QG1 VAL 22 - HG3 GLN 28 far 0 81 0 - 8.7-10.4 QD1 ILE 54 - HB2 MET 67 far 0 37 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 11483 from cnoeabs.peaks (0.65, 2.24, 33.72 ppm; 5.75 A): 1 out of 4 assignments used, quality = 0.68: QD1 ILE 54 + HG2 GLN 28 OK 68 70 100 98 3.3-5.3 9237/1182=64, 11486=54...(7) QD1 ILE 56 - HG2 GLN 28 far 14 94 15 - 6.0-11.0 QD1 LEU 4 - HG2 GLN 28 far 0 92 0 - 7.5-10.6 QG1 VAL 22 - HG2 GLN 28 far 0 81 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 11484 from cnoeabs.peaks (0.75, 1.78, 30.45 ppm; 4.50 A): 1 out of 6 assignments used, quality = 0.97: QG2 ILE 54 + HB3 GLN 28 OK 97 100 100 97 2.0-4.5 4407/11481=64...(9) QD2 LEU 55 - HB3 GLN 28 poor 7 84 25 36 5.6-6.8 9236/1181=19...(3) QD1 LEU 45 - HB3 GLN 28 far 0 99 0 - 6.8-9.0 QD1 ILE 7 - HB3 GLN 28 far 0 65 0 - 8.6-11.3 QG2 VAL 32 - HB3 GLN 28 far 0 81 0 - 8.7-9.8 QD2 LEU 6 - HB3 GLN 28 far 0 81 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 11485 from cnoeabs.peaks (4.97, 0.87, 21.73 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 33 + QG1 VAL 32 OK 100 100 100 100 3.5-3.7 2.9/185=96, 3.6/9319=92...(10) Violated in 0 structures by 0.00 A. Peak 11486 from cnoeabs.peaks (2.23, 0.64, 13.41 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.91: HG2 GLN 28 + QD1 ILE 54 OK 91 92 100 99 3.3-5.3 3.0/11481=78...(8) HB2 GLN 122 - QD1 ILE 5 far 6 62 10 - 6.6-8.1 HB3 GLN 122 - QD1 ILE 5 far 0 62 0 - 7.2-8.7 HG2 GLN 28 - QD1 ILE 5 far 0 66 0 - 9.3-12.1 Violated in 2 structures by 0.01 A. Peak 11487 from cnoeabs.peaks (1.81, 0.74, 26.63 ppm; 4.22 A): 3 out of 6 assignments used, quality = 0.90: HG12 ILE 5 + QD2 LEU 55 OK 78 100 85 92 2.7-7.2 ~10939=44, 2.9/10938=27...(11) HB ILE 18 + QD2 LEU 55 OK 35 90 85 45 3.7-6.0 10871/11118=16...(10) HB ILE 57 + QD2 LEU 55 OK 33 84 55 71 4.4-6.4 2.9/11136=36...(12) HB2 LEU 14 - QD2 LEU 55 far 0 84 0 - 7.2-10.4 HB ILE 3 - QD2 LEU 55 far 0 99 0 - 7.3-10.0 HB2 ARG 118 - QD2 LEU 55 far 0 90 0 - 7.8-9.8 Violated in 8 structures by 0.08 A. Peak 11488 from cnoeabs.peaks (1.78, 0.74, 25.21 ppm; 3.92 A): 2 out of 9 assignments used, quality = 0.94: HB VAL 32 + QD1 LEU 63 OK 86 100 100 86 2.7-3.6 10791/2.1=39, ~10931=39...(9) HB2 LEU 64 + QD2 LEU 6 OK 57 64 95 94 2.5-5.5 3.0/11611=49, ~11537=36...(14) HB VAL 32 - QD2 LEU 6 far 0 84 0 - 5.4-6.9 HB2 LEU 64 - QD1 LEU 63 far 0 84 0 - 5.7-6.6 HB3 GLN 28 - QD1 LEU 45 far 0 32 0 - 6.8-9.0 HB2 LEU 55 - QD2 LEU 6 far 0 58 0 - 7.1-8.3 HB2 LEU 55 - QD1 LEU 45 far 0 23 0 - 8.4-10.5 HB VAL 32 - QD1 LEU 45 far 0 36 0 - 9.2-11.1 HB3 GLN 28 - QD2 LEU 6 far 0 78 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 11489 from cnoeabs.peaks (2.44, 0.38, 23.07 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.96: HG3 GLU 69 + QD2 LEU 68 OK 92 99 100 93 5.8-7.4 1457/4.9=85, ~11127=29...(4) HG2 GLN 100 + QD2 LEU 68 OK 46 100 90 50 5.0-7.9 4608/4633=32...(3) HG3 GLU 98 - QD2 LEU 68 far 5 99 5 - 7.6-11.1 HG3 GLU 41 - QD2 LEU 68 far 0 65 0 - 8.5-11.2 Violated in 2 structures by 0.01 A. Peak 11490 from cnoeabs.peaks (1.35, 0.74, 16.61 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 81 + QG2 ILE 7 OK 99 99 100 100 1.9-3.8 1.8/11619=90, 11620=54...(19) HG LEU 81 + QG2 ILE 7 OK 99 99 100 100 3.0-3.6 3.0/11619=72, 11638=52...(20) HG2 LYS 94 - QG2 ILE 7 far 0 65 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 11491 from cnoeabs.peaks (3.62, 0.78, 26.01 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 94 + QD1 LEU 82 OK 100 100 100 100 2.6-4.6 3.0/10100=72, 10102=61...(10) Violated in 1 structures by 0.01 A. Peak 11492 from cnoeabs.peaks (3.27, 0.82, 23.86 ppm; 6.04 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 117 - QD2 LEU 82 far 0 77 0 - 8.5-9.9 Violated in 20 structures by 3.50 A. Peak 11493 from cnoeabs.peaks (4.04, 0.90, 24.86 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.93: HA GLU 87 + QD1 LEU 90 OK 93 96 100 98 2.2-5.2 8165/5805=52...(15) HA GLU 92 - QD1 LEU 90 far 0 90 0 - 6.0-8.7 Violated in 10 structures by 0.46 A. Peak 11494 from cnoeabs.peaks (3.21, 4.03, 59.25 ppm; 5.24 A): 4 out of 5 assignments used, quality = 0.99: HD2 ARG 95 + HA GLU 92 OK 89 90 100 99 2.3-6.2 3.9/8203=77, 3.9/8201=55...(8) HD3 ARG 95 + HA GLU 92 OK 86 87 100 99 2.2-6.4 3.9/8203=77, 3.9/8201=55...(8) HB2 PHE 120 + HA GLU 119 OK 51 53 100 95 5.8-6.6 1787/3.6=81, 6946=38...(8) HA ILE 15 + HA GLU 13 OK 26 58 65 70 6.3-6.9 3.6/1983=51...(3) HB2 PHE 120 - HA LYS 123 far 0 88 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 11495 from cnoeabs.peaks (1.44, 1.00, 27.27 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.98: HG LEU 80 + HG12 ILE 97 OK 93 99 95 98 1.7-7.0 ~9924=75, ~9923=58...(9) HG2 LYS 96 + HG12 ILE 97 OK 72 100 80 90 4.9-7.5 7798/1649=72, ~10129=33...(5) HB3 LYS 61 - HG12 ILE 97 far 0 99 0 - 7.2-9.7 Violated in 1 structures by 0.00 A. Peak 11496 from cnoeabs.peaks (0.51, 0.68, 18.75 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 68 + QG2 ILE 97 OK 94 100 100 94 1.7-3.0 11641/3.0=63...(10) Violated in 0 structures by 0.00 A. Peak 11497 from cnoeabs.peaks (1.05, 0.96, 28.80 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.92: HG3 LYS 2 + HD3 LYS 2 OK 73 73 100 100 2.2-2.7 2.9=100 HG2 LYS 2 + HD3 LYS 2 OK 69 69 100 100 2.4-3.0 2.9=100 HB2 PHE 79 - HG13 ILE 116 far 0 65 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 11498 from cnoeabs.peaks (1.03, 1.07, 25.52 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: HG3 LYS 2 + HG2 LYS 2 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 71 - HG2 LYS 2 far 0 90 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 11499 from cnoeabs.peaks (0.97, 1.07, 25.52 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.96: HD3 LYS 2 + HG2 LYS 2 OK 96 96 100 100 2.4-3.0 2.9=100 QD1 ILE 3 - HG2 LYS 2 far 0 100 0 - 5.2-7.9 HG13 ILE 56 - HG2 LYS 2 far 0 92 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 11500 from cnoeabs.peaks (0.97, 1.03, 25.52 ppm; 2.81 A): 1 out of 3 assignments used, quality = 0.85: HD3 LYS 2 + HG3 LYS 2 OK 85 96 100 89 2.2-2.7 2.9=87, 4628/4627=11 QD1 ILE 3 - HG3 LYS 2 far 0 100 0 - 4.7-7.2 HG13 ILE 56 - HG3 LYS 2 far 0 92 0 - 8.7-13.9 Violated in 0 structures by 0.00 A. Peak 11501 from cnoeabs.peaks (1.26, 1.03, 25.52 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: HD2 LYS 2 + HG3 LYS 2 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 54 - HG3 LYS 2 far 4 81 5 - 5.4-11.2 HD3 LYS 53 - HG3 LYS 2 far 0 99 0 - 6.8-10.9 Violated in 0 structures by 0.00 A. Peak 11502 from cnoeabs.peaks (1.25, 1.07, 25.52 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.97: HD2 LYS 2 + HG2 LYS 2 OK 97 97 100 100 2.3-3.0 2.9=100 HG12 ILE 54 - HG2 LYS 2 far 10 99 10 - 5.3-12.7 HD3 LYS 53 - HG2 LYS 2 far 0 81 0 - 6.4-11.2 Violated in 0 structures by 0.00 A. Peak 11503 from cnoeabs.peaks (1.05, 1.26, 28.80 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.92: HG3 LYS 2 + HD2 LYS 2 OK 73 73 100 100 2.3-3.0 2.9=100 HG2 LYS 2 + HD2 LYS 2 OK 70 70 100 100 2.3-3.0 2.9=100 HG2 LYS 2 - HD3 LYS 53 far 0 60 0 - 6.4-11.2 HG3 LYS 2 - HD3 LYS 53 far 0 63 0 - 6.8-10.9 Violated in 0 structures by 0.00 A. Peak 11504 from cnoeabs.peaks (0.74, 2.76, 42.47 ppm; 4.48 A): 2 out of 6 assignments used, quality = 0.80: QD1 LEU 45 + HE2 LYS 2 OK 62 77 90 89 2.0-7.0 ~9437=50, 2.1/11222=29...(9) QD2 LEU 45 + HE2 LYS 2 OK 47 81 65 91 2.1-7.9 9437/1.8=53...(9) QG2 ILE 54 - HE2 LYS 2 poor 11 97 35 32 4.2-10.6 9492/4607=13...(7) QG2 VAL 78 - HE2 LYS 2 far 8 81 10 - 4.8-9.0 QD2 LEU 6 - HE2 LYS 2 far 0 99 0 - 8.3-13.4 QD2 LEU 55 - HE2 LYS 2 far 0 100 0 - 9.7-14.9 Violated in 7 structures by 0.32 A. Peak 11506 from cnoeabs.peaks (0.74, 6.71, 118.26 ppm; 4.02 A): 3 out of 12 assignments used, quality = 0.96: QG2 VAL 78 + QE TYR 102 OK 78 78 100 99 4.0-5.4 2.1/4625=67, ~4694=46...(10) QD2 LEU 45 + QE TYR 76 OK 62 62 100 99 3.1-5.4 3.1/4623=63, 2.1/9445=53...(14) QD1 LEU 45 + QE TYR 76 OK 58 59 100 99 1.9-3.2 3.1/4623=63, 2.1/9450=52...(13) QD2 LEU 6 - QE TYR 102 poor 19 98 30 66 5.0-6.5 11343/4633=55...(5) QG2 VAL 78 - QE TYR 76 far 3 62 5 - 5.4-6.0 QG2 ILE 54 - QE TYR 76 far 0 79 0 - 6.1-9.2 QD1 LEU 45 - QE TYR 102 far 0 75 0 - 7.9-10.4 QD2 LEU 6 - QE TYR 76 far 0 83 0 - 7.9-9.8 QD2 LEU 55 - QE TYR 76 far 0 84 0 - 9.8-12.8 QG2 ILE 7 - QE TYR 102 far 0 97 0 - 9.8-11.3 QD2 LEU 55 - QE TYR 102 far 0 99 0 - 9.9-12.9 QD2 LEU 45 - QE TYR 102 far 0 78 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 11507 from cnoeabs.peaks (1.81, 0.93, 20.69 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: HB ILE 97 + QG1 VAL 104 OK 100 100 100 100 2.1-4.4 2.1/10230=79...(14) HB3 ARG 105 + QG1 VAL 104 OK 71 97 100 73 4.4-5.5 4.1/666=54, 3.0/10241=25...(4) HG2 ARG 105 - QG1 VAL 104 far 0 99 0 - 5.8-6.8 Violated in 1 structures by 0.01 A. Peak 11508 from cnoeabs.peaks (1.81, 0.88, 22.01 ppm; 3.47 A): 2 out of 10 assignments used, quality = 0.96: HB ILE 97 + QG2 VAL 104 OK 95 98 100 97 1.7-3.3 ~10230=35, 4.4/11510=33...(16) HB3 ARG 105 + QG2 VAL 104 OK 22 100 35 63 4.2-5.6 4.1/667=40, 11507/2.1=21...(6) HB ILE 57 - QG2 VAL 29 far 0 55 0 - 5.2-7.0 HB ILE 18 - QG2 VAL 29 far 0 58 0 - 5.3-6.7 QE MET 121 - QG2 VAL 29 far 0 40 0 - 5.6-8.9 HG2 ARG 105 - QG2 VAL 104 far 0 94 0 - 5.8-7.5 HG12 ILE 5 - QG2 VAL 29 far 0 58 0 - 7.4-10.1 HB2 LEU 14 - QG2 VAL 29 far 0 55 0 - 8.4-11.1 QE MET 121 - QG2 VAL 104 far 0 73 0 - 9.8-14.0 HG12 ILE 5 - QG2 VAL 104 far 0 97 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 11509 from cnoeabs.peaks (1.32, 0.88, 22.01 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.88: HG3 LYS 94 + QG2 VAL 104 OK 76 99 95 81 2.5-5.2 10228/2.1=37...(13) HB3 LEU 55 + QG2 VAL 29 OK 50 62 90 90 4.1-5.7 1.8/9502=68...(8) Violated in 5 structures by 0.12 A. Peak 11510 from cnoeabs.peaks (8.68, 0.88, 22.01 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.85: H GLU 98 + QG2 VAL 104 OK 85 90 100 95 2.4-4.7 3.0/10161=49...(9) Violated in 5 structures by 0.14 A. Peak 11511 from cnoeabs.peaks (8.69, 0.93, 20.69 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.88: H GLU 98 + QG1 VAL 104 OK 72 73 100 98 2.4-4.7 11510/2.1=59...(14) H ARG 105 + QG1 VAL 104 OK 57 61 100 93 2.2-3.8 4.2=53, 667/2.1=34...(11) H ASP 86 - QG1 VAL 104 far 0 99 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 11512 from cnoeabs.peaks (0.69, 1.75, 26.58 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.92: QD1 ILE 116 + HG3 ARG 105 OK 92 92 100 100 2.3-4.9 3.0/10274=70...(13) QD2 LEU 81 - HG3 ARG 105 far 7 73 10 - 5.9-8.4 QG2 ILE 97 - HG3 ARG 105 far 0 96 0 - 7.7-10.2 QD2 LEU 114 - HG3 ARG 105 far 0 57 0 - 9.8-12.5 Violated in 1 structures by 0.00 A. Peak 11513 from cnoeabs.peaks (0.77, 1.41, 18.60 ppm; 2.94 A): 3 out of 9 assignments used, quality = 0.99: QG1 VAL 107 + QB ALA 113 OK 88 92 100 95 1.7-2.2 2.1/10898=46...(25) QD2 LEU 14 + QB ALA 113 OK 81 92 100 88 3.0-3.4 11518=50, 10372/8233=25...(16) QD1 LEU 81 + QB ALA 113 OK 62 73 100 85 2.8-4.2 2.1/10419=59...(8) QD1 LEU 82 - QB ALA 113 far 0 99 0 - 5.3-7.7 QD1 ILE 7 - QB ALA 113 far 0 98 0 - 5.5-6.9 QD1 LEU 80 - QB ALA 113 far 0 100 0 - 6.6-9.5 QD1 ILE 15 - QB ALA 113 far 0 94 0 - 6.7-8.3 QD2 LEU 80 - QB ALA 113 far 0 100 0 - 6.9-9.1 QD2 LEU 64 - QB ALA 113 far 0 92 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 11514 from cnoeabs.peaks (1.52, 0.67, 23.24 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: HD3 LYS 17 + QD2 LEU 114 OK 99 99 100 100 1.8-5.6 1.8/10919=77...(13) HG2 LYS 20 - QD2 LEU 114 poor 20 73 45 60 4.9-8.1 123/9205=41...(5) Violated in 7 structures by 0.18 A. Peak 11515 from cnoeabs.peaks (1.52, 0.81, 24.73 ppm; 3.30 A): 3 out of 9 assignments used, quality = 0.94: HD3 LYS 17 + QD1 LEU 114 OK 85 97 100 88 2.8-3.9 2.9/11218=37...(10) HG LEU 6 + QD1 LEU 64 OK 52 63 100 83 2.6-4.6 11537/2.1=58, ~11611=35...(7) HB2 LYS 61 + QD1 LEU 64 OK 20 60 50 67 3.1-6.0 3.0/9652=25, ~8097=15...(8) HB2 LEU 6 - QD1 LEU 64 poor 12 40 30 - 4.1-6.8 HG2 LYS 20 - QD1 LEU 114 far 0 65 0 - 5.6-7.1 HG LEU 38 - QD1 LEU 64 far 0 64 0 - 8.2-9.6 HD2 LYS 94 - QD1 LEU 64 far 0 48 0 - 8.4-10.9 HD3 LYS 94 - QD1 LEU 64 far 0 48 0 - 8.7-11.3 HB3 ARG 30 - QD1 LEU 64 far 0 54 0 - 9.2-12.9 Violated in 1 structures by 0.00 A. Peak 11516 from cnoeabs.peaks (1.83, 3.89, 60.17 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.67: QE MET 121 + HA ARG 118 OK 67 100 90 75 1.8-5.3 7023/8285=34...(5) HB ILE 18 - HA ARG 118 far 0 90 0 - 8.4-10.7 HD2 LYS 123 - HA ARG 118 far 0 90 0 - 9.4-10.4 Violated in 11 structures by 0.52 A. Peak 11517 from cnoeabs.peaks (1.43, 0.86, 22.48 ppm; 3.07 A): 2 out of 4 assignments used, quality = 0.88: QB ALA 113 + QD1 LEU 14 OK 71 77 100 92 1.8-2.7 11518/2.1=49, 10418=27...(22) HB3 GLN 83 + QD1 LEU 14 OK 58 99 75 78 3.6-5.2 ~11007=19, 11518/2.1=19...(12) HG3 LYS 17 - QD1 LEU 14 far 5 99 5 - 3.4-5.8 HG LEU 80 - QD1 LEU 14 far 0 73 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 11518 from cnoeabs.peaks (1.42, 0.76, 24.53 ppm; 2.87 A): 2 out of 3 assignments used, quality = 0.74: QB ALA 113 + QD2 LEU 14 OK 65 84 100 78 3.0-3.4 11517/2.1=31, 11513=23...(15) HB3 GLN 83 + QD2 LEU 14 OK 25 100 30 82 3.9-4.9 3.0/11007=31...(13) HG3 LYS 17 - QD2 LEU 14 far 0 98 0 - 4.7-6.6 Violated in 20 structures by 0.23 A. Peak 11519 from cnoeabs.peaks (1.66, 0.86, 22.48 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.67: HG LEU 114 + QD1 LEU 14 OK 67 98 100 68 1.8-3.8 3.0/11676=21...(12) HD2 LYS 115 - QD1 LEU 14 far 0 100 0 - 5.4-10.0 HD3 LYS 115 - QD1 LEU 14 far 0 100 0 - 5.8-9.1 HB ILE 5 - QD1 LEU 14 far 0 90 0 - 9.5-11.0 Violated in 6 structures by 0.05 A. Peak 11520 from cnoeabs.peaks (0.82, 3.68, 60.85 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.64: QG1 VAL 29 + HA LYS 19 OK 64 65 100 98 2.3-4.1 2.1/9247=66...(13) QD1 LEU 114 - HA LYS 19 far 0 84 0 - 7.6-8.8 Violated in 1 structures by 0.00 A. Peak 11521 from cnoeabs.peaks (4.12, 2.38, 33.39 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.84: HA VAL 22 + HG2 GLN 25 OK 84 94 95 95 2.2-5.6 11450/3.0=62...(7) HA GLN 122 - HG2 GLN 25 far 4 87 5 - 5.3-11.2 HA3 GLY 26 - HG2 GLN 25 far 0 100 0 - 6.5-7.2 Violated in 9 structures by 0.40 A. Peak 11522 from cnoeabs.peaks (1.63, 0.97, 13.48 ppm; 3.83 A): 3 out of 3 assignments used, quality = 0.99: HD2 LYS 77 + QD1 ILE 3 OK 81 100 100 81 2.5-5.2 3.0/9013=43...(8) HD3 LYS 77 + QD1 ILE 3 OK 80 100 100 80 3.2-4.8 3.0/9013=43...(7) HB3 LEU 127 + QD1 ILE 3 OK 70 87 100 81 3.0-4.7 1.8/10654=43...(8) Violated in 0 structures by 0.00 A. Peak 11523 from cnoeabs.peaks (1.85, 0.97, 13.48 ppm; 3.42 A): 3 out of 5 assignments used, quality = 0.98: HB2 LYS 77 + QD1 ILE 3 OK 74 94 100 79 2.9-4.2 4.7/9013=23, ~11691=23...(10) HB3 LYS 77 + QD1 ILE 3 OK 74 90 100 83 1.9-2.8 11691/2.1=28...(10) HG LEU 127 + QD1 ILE 3 OK 66 98 100 67 2.6-3.9 3.0/10654=27...(10) HD2 LYS 123 - QD1 ILE 3 far 0 94 0 - 6.6-8.1 QE MET 42 - QD1 ILE 3 far 0 81 0 - 7.5-10.5 Violated in 0 structures by 0.00 A. Peak 11525 from cnoeabs.peaks (0.86, 2.11, 41.07 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: QG1 VAL 32 + HB2 LEU 38 OK 100 100 100 100 1.8-2.7 10930/1.8=87...(11) Violated in 0 structures by 0.00 A. Peak 11526 from cnoeabs.peaks (0.76, 1.46, 41.07 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 32 + HB3 LEU 38 OK 99 99 100 100 2.6-3.6 2.1/10930=83...(11) QD1 LEU 63 + HB3 LEU 38 OK 69 70 100 99 3.0-4.8 ~9684=43, ~10988=38...(18) QD1 LEU 45 - HB3 LEU 38 far 0 99 0 - 8.1-10.4 QG2 ILE 54 - HB3 LEU 38 far 0 87 0 - 8.3-10.0 QD2 LEU 80 - HB3 LEU 38 far 0 65 0 - 9.4-13.1 QD1 LEU 80 - HB3 LEU 38 far 0 70 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 11527 from cnoeabs.peaks (4.13, 0.89, 25.56 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 63 + QD2 LEU 38 OK 100 100 100 100 3.1-4.2 11252=62, 4738/10988=60...(20) Violated in 2 structures by 0.01 A. Peak 11528 from cnoeabs.peaks (0.73, 1.44, 45.31 ppm; 3.46 A): 2 out of 17 assignments used, quality = 1.00: QG2 VAL 78 + HB2 LEU 4 OK 94 100 100 94 1.8-2.3 11378=33, 10665/3.8=30...(19) QG2 VAL 78 + HB3 LEU 4 OK 94 100 100 94 2.4-3.3 11378=33, 10665/3.8=30...(19) QD2 LEU 6 - HB3 LEU 4 poor 19 94 85 24 3.7-5.0 11559/1366=9...(5) QD2 LEU 6 - HB2 LEU 4 lone 13 94 75 18 4.3-6.0 5417/11529=7...(5) QD2 LEU 55 - HB3 LEU 4 far 5 92 5 - 4.9-8.2 QD2 LEU 45 - HB3 LEU 4 far 0 100 0 - 5.2-6.9 QD2 LEU 45 - HB2 LEU 4 far 0 100 0 - 5.4-7.4 QD1 LEU 6 - HB3 LEU 4 far 0 90 0 - 5.8-7.0 QD2 LEU 55 - HB2 LEU 4 far 0 92 0 - 6.1-9.4 QD1 LEU 6 - HB2 LEU 4 far 0 90 0 - 6.5-8.0 QD1 ILE 57 - HB3 LEU 4 far 0 61 0 - 7.0-9.7 QG1 VAL 117 - HB3 LEU 4 far 0 99 0 - 7.9-9.1 QG1 VAL 117 - HB2 LEU 4 far 0 99 0 - 8.5-9.8 QD1 ILE 57 - HB2 LEU 4 far 0 61 0 - 8.5-11.1 QG2 ILE 18 - HB3 LEU 4 far 0 96 0 - 9.0-10.2 QG2 ILE 7 - HB3 LEU 4 far 0 65 0 - 9.2-10.0 QG2 ILE 7 - HB2 LEU 4 far 0 65 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 11529 from cnoeabs.peaks (0.61, 1.44, 45.31 ppm; 3.61 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 78 + HB2 LEU 4 OK 89 99 100 90 2.8-4.0 2.1/11528=31, 9863=30...(15) QG1 VAL 78 + HB3 LEU 4 OK 89 99 100 89 2.8-4.6 2.1/11528=30, 9863=30...(15) QD1 ILE 5 - HB2 LEU 4 poor 17 84 65 32 4.6-7.1 2437/4.4=16...(5) QD1 ILE 5 - HB3 LEU 4 poor 17 84 65 31 4.6-6.8 2437/4.4=16...(5) Violated in 0 structures by 0.00 A. Peak 11530 from cnoeabs.peaks (0.82, 1.87, 17.86 ppm; 3.31 A): 2 out of 6 assignments used, quality = 0.93: QG2 ILE 71 + QE MET 42 OK 85 100 100 85 1.7-4.2 3.2/11685=32...(16) QD1 LEU 74 + QE MET 42 OK 56 100 75 75 2.1-8.3 11277=49, 9819/9426=20...(9) QD2 LEU 74 - QE MET 42 poor 15 100 25 59 4.0-7.5 2.1/11277=42...(5) QD1 LEU 64 - QE MET 42 far 0 99 0 - 6.4-8.1 QG1 VAL 29 - QE MET 42 far 0 65 0 - 8.6-10.6 QD2 LEU 82 - QE MET 42 far 0 97 0 - 9.7-12.9 Violated in 3 structures by 0.01 A. Peak 11531 from cnoeabs.peaks (0.94, 2.76, 32.47 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.75: QD1 LEU 38 + HG3 MET 42 OK 64 65 100 98 3.8-4.5 2.1/9378=54, 10993=51...(14) HG13 ILE 56 + HG3 MET 42 OK 31 81 60 63 4.2-8.4 ~9547=24, 10949/3.3=18...(8) HD3 LYS 2 - HG3 MET 42 far 0 73 0 - 9.5-13.3 Violated in 3 structures by 0.01 A. Peak 11532 from cnoeabs.peaks (0.98, 1.87, 17.86 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.52: HG13 ILE 56 + QE MET 42 OK 39 65 95 63 1.8-5.8 2.1/9547=40...(7) QD1 LEU 38 + QE MET 42 OK 21 81 30 88 3.1-5.8 10993/3.3=32...(15) HD3 LYS 2 - QE MET 42 far 0 73 0 - 5.3-10.1 QD1 ILE 3 - QE MET 42 far 0 97 0 - 7.5-10.5 Violated in 2 structures by 0.08 A. Peak 11533 from cnoeabs.peaks (1.69, 0.72, 23.70 ppm; 4.11 A): 3 out of 14 assignments used, quality = 0.70: HB ILE 54 + QD2 LEU 45 OK 41 92 100 44 3.2-5.3 4379/2.1=22, 2.1/4030=9...(6) HD2 LYS 44 + QD2 LEU 45 OK 35 94 85 43 1.8-7.1 267/1298=18, 3.7/4027=17 HD3 LYS 44 + QD2 LEU 45 OK 23 90 60 43 1.8-7.8 267/1298=18, 3.7/4027=17 HG12 ILE 71 - QD2 LEU 45 far 0 100 0 - 5.9-9.5 HG LEU 74 - QD2 LEU 45 far 0 87 0 - 6.0-9.0 HB ILE 56 - QD2 LEU 45 far 0 100 0 - 6.2-8.5 HD2 LYS 43 - QD2 LEU 45 far 0 84 0 - 7.2-9.1 HD2 LYS 40 - QD2 LEU 45 far 0 92 0 - 7.3-9.5 HD3 LYS 40 - QD2 LEU 45 far 0 90 0 - 7.4-10.2 HD3 LYS 43 - QD2 LEU 45 far 0 96 0 - 7.8-9.2 HD2 LYS 73 - QD2 LEU 45 far 0 97 0 - 8.6-13.1 HD2 LYS 39 - QD2 LEU 45 far 0 81 0 - 8.7-12.6 HG3 LYS 39 - QD2 LEU 45 far 0 97 0 - 9.0-12.0 HD3 LYS 73 - QD2 LEU 45 far 0 96 0 - 9.5-12.8 Violated in 1 structures by 0.00 A. Peak 11534 from cnoeabs.peaks (1.06, 0.86, 27.65 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.57: QG2 ILE 3 + HG13 ILE 5 OK 41 43 100 96 2.6-4.6 10739/1.8=66...(16) HB2 PHE 79 + HG13 ILE 5 OK 28 35 80 100 4.2-7.5 10740/2.1=79, ~4645=54...(20) HG2 LYS 2 - HG13 ILE 5 far 0 63 0 - 8.9-13.1 QG2 ILE 3 - HG13 ILE 57 far 0 73 0 - 9.6-11.9 HB2 PHE 79 - HG13 ILE 57 far 0 61 0 - 10.0-12.9 Violated in 1 structures by 0.00 A. Peak 11535 from cnoeabs.peaks (1.91, 0.85, 27.65 ppm; 4.58 A): 2 out of 11 assignments used, quality = 0.96: HG2 MET 121 + HG13 ILE 5 OK 95 98 100 97 3.1-4.6 ~10592=57, ~11353=50...(13) HB ILE 7 + HG13 ILE 57 OK 24 35 100 70 3.1-6.1 9080/4.2=23, 2497/1.8=16...(12) HB ILE 15 - HG13 ILE 57 far 0 66 0 - 6.5-9.0 HB3 LYS 123 - HG13 ILE 5 far 0 100 0 - 6.9-9.5 HB2 LEU 81 - HG13 ILE 5 far 0 96 0 - 7.4-9.3 HB ILE 7 - HG13 ILE 5 far 0 61 0 - 7.4-8.6 HB2 LEU 81 - HG13 ILE 57 far 0 61 0 - 8.7-11.4 HB2 GLU 128 - HG13 ILE 5 far 0 92 0 - 8.9-12.2 HB3 LYS 17 - HG13 ILE 57 far 0 55 0 - 9.2-12.1 HG2 MET 121 - HG13 ILE 57 far 0 64 0 - 9.4-12.5 HB ILE 71 - HG13 ILE 5 far 0 77 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 11537 from cnoeabs.peaks (1.65, 1.52, 27.91 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.85: HG LEU 64 + HG LEU 6 OK 85 97 100 88 2.0-3.9 11611/2.1=72...(7) HD2 LYS 65 - HG LEU 6 far 0 99 0 - 6.0-10.4 HD3 LYS 65 - HG LEU 6 far 0 100 0 - 6.8-9.7 HB ILE 5 - HG LEU 6 far 0 100 0 - 7.9-8.6 HB2 ARG 30 - HG LEU 6 far 0 99 0 - 9.5-12.2 Violated in 14 structures by 0.15 A. Peak 11538 from cnoeabs.peaks (2.03, 2.71, 39.04 ppm; 5.89 A): 0 out of 8 assignments used, quality = 0.00: HB2 MET 1 - HB3 ASN 50 far 10 100 10 - 7.4-12.6 HB2 MET 1 - HB2 ASN 50 far 5 100 5 - 7.2-12.1 HB2 GLU 48 - HB3 ASN 50 lone 1 87 90 2 4.5-9.2 HB2 GLU 48 - HB2 ASN 50 lone 1 87 90 2 4.3-8.8 HB3 GLU 48 - HB3 ASN 50 lone 1 87 85 2 3.3-8.2 HB3 GLU 48 - HB2 ASN 50 lone 1 87 85 2 3.0-7.9 HG3 GLU 52 - HB3 ASN 50 lone 1 73 80 2 2.9-10.0 HG3 GLU 52 - HB2 ASN 50 lone 1 73 60 2 3.2-9.8 Violated in 0 structures by 0.00 A. Peak 11540 from cnoeabs.peaks (4.07, 1.56, 29.23 ppm; 5.68 A): 2 out of 3 assignments used, quality = 0.71: HA GLU 91 + HD3 LYS 106 OK 47 100 100 47 2.2-6.9 ~10077=24, ~11469=19...(4) HA GLU 91 + HD2 LYS 106 OK 46 100 100 46 3.3-7.0 ~10077=24, ~11469=19...(4) HA LYS 96 - HD2 LYS 106 far 0 94 0 - 9.7-15.1 Violated in 2 structures by 0.04 A. Peak 11541 from cnoeabs.peaks (8.04, 2.08, 29.19 ppm; 3.99 A): 4 out of 8 assignments used, quality = 0.96: H ASP 109 + HB2 GLU 112 OK 70 100 100 70 2.9-4.8 1722/10363=24...(9) H ASP 109 + HB3 GLU 112 OK 68 100 100 68 2.8-4.6 1722/10363=21...(9) H SER 72 + HB3 GLU 69 OK 49 74 90 73 5.2-5.6 2122/5000=47...(5) H LYS 65 + HB3 GLU 66 OK 22 84 30 87 4.5-6.1 1908/1435=59...(4) H LYS 65 - HB3 GLU 69 far 0 96 0 - 8.3-9.1 H ARG 118 - HB3 GLU 112 far 0 89 0 - 8.9-10.6 H SER 72 - HB3 GLU 66 far 0 61 0 - 9.2-10.8 H ARG 118 - HB2 GLU 112 far 0 90 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11542 from cnoeabs.peaks (3.99, 1.51, 24.44 ppm; 4.63 A): 1 out of 3 assignments used, quality = 0.94: HA LYS 17 + HG2 LYS 20 OK 94 100 95 99 2.4-6.2 11543/1.8=78...(11) HA LEU 14 - HG2 LYS 20 far 0 94 0 - 7.3-10.9 HA GLU 111 - HG2 LYS 20 far 0 98 0 - 9.9-11.4 Violated in 6 structures by 0.21 A. Peak 11543 from cnoeabs.peaks (3.99, 1.48, 24.44 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.84: HA LYS 17 + HG3 LYS 20 OK 84 100 85 99 3.3-6.5 11542/1.8=79...(9) HA LEU 14 - HG3 LYS 20 far 0 94 0 - 8.7-11.4 HA GLU 111 - HG3 LYS 20 far 0 98 0 - 9.4-13.0 Violated in 7 structures by 0.45 A. Peak 11544 from cnoeabs.peaks (3.99, 1.69, 28.78 ppm; 4.53 A): 2 out of 8 assignments used, quality = 0.99: HA LYS 17 + HD3 LYS 20 OK 97 99 100 97 4.3-6.0 11542/3.0=60...(10) HA LYS 17 + HD2 LYS 20 OK 63 99 65 97 4.2-6.9 11542/3.0=60...(10) HB2 SER 99 - HD2 LYS 96 poor 11 82 40 33 5.0-7.9 8228/5.3=24, ~10462=6 HB3 SER 99 - HD2 LYS 96 poor 10 82 35 35 5.1-8.2 8228/5.3=24, 10462/3.0=8 HB3 SER 99 - HD3 LYS 96 far 9 87 10 - 5.7-9.7 HB2 SER 99 - HD3 LYS 96 far 4 87 5 - 5.8-9.3 HA LEU 14 - HD3 LYS 20 far 0 100 0 - 8.7-11.6 HA LEU 14 - HD2 LYS 20 far 0 100 0 - 9.4-12.4 Violated in 8 structures by 0.17 A. Peak 11545 from cnoeabs.peaks (1.94, 0.64, 13.41 ppm; 3.61 A): 1 out of 15 assignments used, quality = 0.35: HB3 GLU 52 + QD1 ILE 54 OK 35 87 65 63 3.6-7.3 11351=34, 1.8/10801=19...(5) HB3 GLU 41 - QD1 ILE 54 far 0 94 0 - 5.8-7.8 HB2 LYS 123 - QD1 ILE 5 far 0 74 0 - 5.8-7.2 HB2 GLU 41 - QD1 ILE 54 far 0 92 0 - 6.0-9.0 HB2 LEU 127 - QD1 ILE 5 far 0 72 0 - 6.3-9.4 HB3 GLU 128 - QD1 ILE 5 far 0 56 0 - 6.7-9.9 HB VAL 29 - QD1 ILE 54 far 0 84 0 - 6.9-8.7 HB3 GLU 52 - QD1 ILE 5 far 0 62 0 - 7.2-11.5 HB3 LYS 40 - QD1 ILE 54 far 0 99 0 - 7.9-10.0 HB3 MET 42 - QD1 ILE 54 far 0 92 0 - 8.2-10.8 HB VAL 29 - QD1 ILE 5 far 0 59 0 - 8.7-12.1 HB VAL 104 - QD1 ILE 5 far 0 74 0 - 9.4-12.9 HB2 LEU 70 - QD1 ILE 54 far 0 100 0 - 9.6-12.2 HB3 LYS 115 - QD1 ILE 5 far 0 74 0 - 9.8-12.2 HB2 LYS 115 - QD1 ILE 5 far 0 62 0 - 9.9-12.6 Violated in 19 structures by 1.37 A. Peak 11546 from cnoeabs.peaks (3.78, 0.74, 25.21 ppm; 5.29 A): 4 out of 7 assignments used, quality = 1.00: HB2 SER 58 + QD1 LEU 63 OK 100 100 100 100 3.0-4.5 11547/2.1=77...(14) HA LEU 68 + QD2 LEU 6 OK 79 84 100 95 2.6-4.3 4961/11343=61, ~9756=52...(11) HB2 SER 58 + QD2 LEU 6 OK 68 84 100 81 4.2-5.8 11562/2.1=35...(11) HA LYS 65 + QD2 LEU 6 OK 33 61 100 54 5.3-6.4 4991/11343=16...(7) HA LEU 68 - QD1 LEU 45 far 0 36 0 - 7.0-8.7 HA LYS 65 - QD1 LEU 63 far 0 81 0 - 8.5-8.7 HA LEU 68 - QD1 LEU 63 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11547 from cnoeabs.peaks (3.77, 0.71, 22.93 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.94: HB2 SER 58 + QD2 LEU 63 OK 94 97 100 97 4.8-5.7 ~11558=45, 9596/3.1=39...(12) HA LEU 68 - QD2 LEU 63 far 0 98 0 - 8.3-9.3 Violated in 14 structures by 0.30 A. Peak 11548 from cnoeabs.peaks (3.06, 4.45, 59.97 ppm; 4.62 A): 0 out of 0 assignments used, 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 2 assignments used, quality = 1.00: HB3 MET 1 + HB2 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 48 - HB2 MET 1 far 0 100 0 - 7.8-17.6 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 0.85: HD3 LYS 77 + QG2 ILE 3 OK 62 99 85 73 3.9-6.7 ~9013=29, 11522/3.0=24...(7) HD2 LYS 77 + QG2 ILE 3 OK 61 99 85 73 2.9-7.2 ~9013=29, 11522/3.0=24...(7) HB3 LEU 127 - QG2 ILE 3 far 0 98 0 - 5.9-7.1 Violated in 9 structures by 0.27 A. Peak 11554 from cnoeabs.peaks (4.73, 0.68, 25.98 ppm; 5.56 A): 0 out of 4 assignments used, quality = 0.00: HA ARG 30 - QD1 LEU 55 poor 6 51 40 31 4.9-8.6 2.9/9254=18, 3.0/9257=15 HA ARG 30 - QD2 LEU 4 far 0 97 0 - 7.6-9.7 HA ASN 24 - QD1 LEU 55 far 0 34 0 - 8.0-12.4 HA THR 9 - QD1 LEU 55 far 0 52 0 - 9.5-11.7 Violated in 19 structures by 1.19 A. Peak 11555 from cnoeabs.peaks (3.76, 0.68, 25.98 ppm; 6.17 A): 0 out of 4 assignments used, quality = 0.00: HB2 SER 58 - QD1 LEU 55 poor 12 34 35 - 7.1-10.6 HA LEU 68 - QD2 LEU 4 lone 8 77 60 18 5.9-9.0 9761/9709=9, 9784/2400=4 HA LEU 68 - QD1 LEU 55 far 0 36 0 - 8.8-11.9 HB2 SER 58 - QD2 LEU 4 far 0 73 0 - 9.3-11.8 Violated in 10 structures by 0.50 A. Peak 11556 from cnoeabs.peaks (2.65, 0.68, 26.27 ppm; 5.84 A): 3 out of 6 assignments used, quality = 0.93: HB2 TYR 27 + QD1 LEU 55 OK 84 84 100 100 2.8-7.0 ~4587=80, ~4583=66...(12) HB2 TYR 76 + QD2 LEU 4 OK 38 38 100 100 3.2-5.9 10732/2.1=94, ~9045=82...(18) HG2 MET 42 + QD2 LEU 4 OK 25 52 60 81 5.1-9.3 ~10736=60, ~9429=41...(4) HB2 TYR 27 - QD2 LEU 4 far 4 40 10 - 6.6-11.0 HB2 TYR 76 - QD1 LEU 55 far 0 81 0 - 9.2-12.2 HG2 MET 42 - QD1 LEU 55 far 0 98 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 11557 from cnoeabs.peaks (1.25, 0.68, 26.27 ppm; 4.01 A): 3 out of 8 assignments used, quality = 0.88: HG13 ILE 7 + QD1 LEU 55 OK 73 100 85 86 2.5-6.1 ~11617=41, ~11136=28...(9) HG12 ILE 54 + QD2 LEU 4 OK 40 55 80 91 3.1-6.4 ~10735=33, 11235/2.1=31...(12) HD2 LYS 2 + QD2 LEU 4 OK 25 48 90 57 2.0-6.0 9469/2.1=33...(4) HD3 LYS 53 - QD1 LEU 55 far 4 73 5 - 5.0-9.6 HD3 LYS 53 - QD2 LEU 4 far 0 34 0 - 5.7-9.6 HG12 ILE 54 - QD1 LEU 55 far 0 100 0 - 6.8-8.7 HG13 ILE 7 - QD2 LEU 4 far 0 55 0 - 8.3-10.8 HD2 LYS 2 - QD1 LEU 55 far 0 94 0 - 9.0-12.1 Violated in 1 structures by 0.00 A. Peak 11558 from cnoeabs.peaks (5.10, 0.73, 25.37 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.74: HG SER 58 + QD1 LEU 63 OK 74 76 100 98 1.9-2.9 9630/9649=60...(13) HG SER 58 - QD2 LEU 6 poor 15 96 25 63 5.4-7.5 ~11562=27, 9735/9725=18...(6) Violated in 0 structures by 0.00 A. Peak 11559 from cnoeabs.peaks (9.19, 0.73, 25.37 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.79: H ILE 56 + QD2 LEU 6 OK 79 90 100 88 3.7-5.0 9535/3.9=48...(10) H ILE 56 - QD1 LEU 63 far 0 69 0 - 9.4-10.5 Violated in 7 structures by 0.10 A. Peak 11560 from cnoeabs.peaks (8.40, 0.71, 25.51 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.95: H MET 67 + QD1 LEU 6 OK 95 96 100 100 5.1-6.3 4.0/11564=82...(10) Violated in 10 structures by 0.11 A. Peak 11561 from cnoeabs.peaks (8.61, 0.71, 25.51 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.82: H LEU 80 + QD1 LEU 6 OK 65 84 80 97 5.7-7.0 3.0/9067=82, ~10671=41...(6) H ASN 8 + QD1 LEU 6 OK 48 57 100 84 3.3-4.4 4.7/28=77, 11384/1540=15...(4) H ILE 71 - QD1 LEU 6 far 0 73 0 - 7.4-8.5 H LYS 94 - QD1 LEU 6 far 0 96 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 11562 from cnoeabs.peaks (3.77, 0.71, 25.51 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.66: HB2 SER 58 + QD1 LEU 6 OK 47 81 95 61 3.0-5.6 9600=20, 1.8/9605=18...(9) HA LEU 68 + QD1 LEU 6 OK 35 84 45 93 5.0-6.0 4.0/11565=55...(8) Violated in 1 structures by 0.05 A. Peak 11563 from cnoeabs.peaks (2.39, 0.71, 25.51 ppm; 5.20 A): 1 out of 4 assignments used, quality = 1.00: HG3 MET 67 + QD1 LEU 6 OK 100 100 100 100 3.1-5.7 3.0/11564=85...(19) HG2 GLU 66 - QD1 LEU 6 far 0 100 0 - 8.0-10.2 HG3 GLN 62 - QD1 LEU 6 far 0 61 0 - 8.4-11.1 HG2 GLU 98 - QD1 LEU 6 far 0 73 0 - 9.3-13.4 Violated in 3 structures by 0.04 A. Peak 11564 from cnoeabs.peaks (2.04, 0.71, 25.51 ppm; 4.17 A): 1 out of 4 assignments used, quality = 0.86: HB3 MET 67 + QD1 LEU 6 OK 86 94 95 96 3.8-6.1 3.0/11563=43...(16) HB2 GLU 66 - QD1 LEU 6 far 0 100 0 - 7.1-9.5 HB VAL 117 - QD1 LEU 6 far 0 97 0 - 8.9-10.0 HB3 GLN 100 - QD1 LEU 6 far 0 96 0 - 9.3-10.9 Violated in 19 structures by 0.77 A. Peak 11565 from cnoeabs.peaks (0.37, 0.71, 25.51 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.81: QD2 LEU 68 + QD1 LEU 6 OK 81 90 100 90 3.4-4.5 2.1/9766=50, 9767/2.1=35...(12) QD1 ILE 97 - QD1 LEU 6 far 5 92 5 - 4.7-6.4 Violated in 20 structures by 0.69 A. Peak 11566 from cnoeabs.peaks (0.62, 1.51, 44.53 ppm; 5.03 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 78 + HB2 LEU 6 OK 99 100 100 99 1.7-2.3 11567/3.0=84...(12) QD1 ILE 5 + HB2 LEU 6 OK 39 97 75 54 5.6-7.2 21/3.9=32, ~10942=20...(4) QD1 ILE 18 - HB2 LEU 6 far 0 99 0 - 8.7-9.4 QD1 ILE 54 - HB2 LEU 6 far 0 65 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 11567 from cnoeabs.peaks (0.61, 1.52, 27.91 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.88: QG1 VAL 78 + HG LEU 6 OK 88 100 100 88 3.5-4.2 5417/2.1=31...(12) QD1 ILE 5 - HG LEU 6 far 0 92 0 - 7.8-9.0 QD1 ILE 18 - HG LEU 6 far 0 100 0 - 9.0-9.7 Violated in 3 structures by 0.01 A. Peak 11568 from cnoeabs.peaks (1.48, 0.90, 24.86 ppm; 3.59 A): 1 out of 3 assignments used, quality = 0.46: HG2 LYS 106 + QD1 LEU 90 OK 46 77 65 92 1.9-6.2 3.9/11574=29, ~10288=27...(21) HB3 LEU 6 - QD1 LEU 90 far 0 70 0 - 9.5-13.5 HG12 ILE 7 - QD1 LEU 90 far 0 73 0 - 9.7-13.1 Violated in 15 structures by 0.85 A. Peak 11569 from cnoeabs.peaks (2.29, 0.90, 24.86 ppm; 4.59 A): 3 out of 5 assignments used, quality = 0.82: HG3 GLU 91 + QD1 LEU 90 OK 55 100 90 61 4.1-6.3 1602/571=55, ~11129=5...(4) HG3 GLU 87 + QD1 LEU 90 OK 38 96 45 89 4.8-8.4 4.0/11493=63, ~10056=52...(7) HG2 GLU 87 + QD1 LEU 90 OK 34 96 40 88 4.4-8.1 4.0/11493=63, ~10056=52...(7) HB3 ASN 8 - QD1 LEU 90 far 0 81 0 - 6.7-11.2 HG3 GLU 111 - QD1 LEU 90 far 0 65 0 - 10.0-16.1 Violated in 15 structures by 0.08 A. Peak 11570 from cnoeabs.peaks (2.65, 0.90, 24.86 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.84: HB3 ASP 84 + QD1 LEU 90 OK 84 87 100 97 3.0-4.9 10025/2.1=44, ~11571=35...(12) Violated in 15 structures by 0.38 A. Peak 11571 from cnoeabs.peaks (2.60, 0.88, 24.74 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.94: HB2 ASP 84 + QD2 LEU 90 OK 94 94 100 100 1.8-3.1 1.8/10025=81...(11) Violated in 0 structures by 0.00 A. Peak 11572 from cnoeabs.peaks (2.96, 0.90, 24.86 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 106 + QD1 LEU 90 OK 94 99 100 95 2.0-5.6 3.6/11568=66...(19) HE2 LYS 106 + QD1 LEU 90 OK 93 98 100 95 2.1-5.5 3.6/11568=66...(19) Violated in 0 structures by 0.00 A. Peak 11573 from cnoeabs.peaks (4.04, 0.88, 24.74 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 87 + QD2 LEU 90 OK 99 100 100 100 2.4-4.9 5704/10056=75...(12) HA GLU 92 - QD2 LEU 90 far 0 98 0 - 7.5-8.3 Violated in 10 structures by 0.28 A. Peak 11574 from cnoeabs.peaks (5.58, 0.90, 24.86 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 106 + QD1 LEU 90 OK 99 100 100 99 1.9-4.6 3.9/11568=75...(16) Violated in 0 structures by 0.00 A. Peak 11576 from cnoeabs.peaks (7.19, 0.90, 24.86 ppm; 5.20 A): 0 out of 2 assignments used, quality = 0.00: HE21 GLN 83 - QD1 LEU 90 poor 10 90 25 45 5.6-8.8 6.9/11306=30...(3) HE22 GLN 83 - QD1 LEU 90 far 0 92 0 - 6.9-10.0 Violated in 20 structures by 1.60 A. Peak 11577 from cnoeabs.peaks (8.21, 0.90, 24.86 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.97: H ASP 84 + QD1 LEU 90 OK 96 99 100 97 2.7-4.9 4.1/11570=57...(8) H GLU 89 + QD1 LEU 90 OK 38 90 50 85 5.3-6.3 1932/1595=48...(8) H GLU 111 - QD1 LEU 90 far 0 100 0 - 10.0-13.4 Violated in 5 structures by 0.03 A. Peak 11578 from cnoeabs.peaks (8.57, 0.88, 24.74 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.83: H VAL 107 + QD2 LEU 90 OK 83 87 100 95 2.1-3.3 3.6/10072=49...(11) Violated in 0 structures by 0.00 A. Peak 11579 from cnoeabs.peaks (8.83, 0.88, 24.74 ppm; 5.51 A): 0 out of 0 assignments used, quality = 0.00: Peak 11580 from cnoeabs.peaks (0.61, 1.46, 27.10 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.91: QD1 ILE 18 + HG12 ILE 7 OK 91 100 100 91 2.4-4.2 11582/3.2=64...(7) QD1 ILE 5 - HG12 ILE 7 far 4 81 5 - 5.0-7.1 QG1 VAL 78 - HG12 ILE 7 far 0 99 0 - 6.0-7.7 Violated in 2 structures by 0.02 A. Peak 11581 from cnoeabs.peaks (0.61, 0.77, 14.16 ppm; 3.18 A): 2 out of 3 assignments used, quality = 0.93: QD1 ILE 18 + QD1 ILE 7 OK 87 98 100 89 2.1-4.0 11580/2.1=47...(9) QD1 ILE 5 + QD1 ILE 7 OK 42 70 85 72 3.5-5.2 2.1/9075=34, 3.0/2698=24...(8) QG1 VAL 78 - QD1 ILE 7 far 5 96 5 - 4.6-6.1 Violated in 14 structures by 0.08 A. Peak 11582 from cnoeabs.peaks (0.61, 0.74, 16.61 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.85: QD1 ILE 18 + QG2 ILE 7 OK 85 98 100 87 1.8-2.1 11580/3.2=41...(10) QD1 ILE 5 - QG2 ILE 7 far 0 70 0 - 6.0-7.5 QG1 VAL 78 - QG2 ILE 7 far 0 96 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 11583 from cnoeabs.peaks (0.86, 0.74, 16.61 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.99: QG2 VAL 117 + QG2 ILE 7 OK 90 99 100 91 2.8-3.9 11584/3.3=41...(13) QG2 THR 9 + QG2 ILE 7 OK 90 100 100 90 2.0-2.9 9117=59, 2.1/9108=40...(10) QD1 LEU 14 + QG2 ILE 7 OK 33 100 75 44 3.7-4.9 11652/11582=24...(9) QG2 ILE 15 - QG2 ILE 7 far 12 81 15 - 4.1-5.9 HG13 ILE 57 - QG2 ILE 7 far 10 100 10 - 4.1-6.8 QG2 VAL 22 - QG2 ILE 7 far 0 97 0 - 5.7-7.3 QG2 VAL 107 - QG2 ILE 7 far 0 97 0 - 6.3-7.4 HG13 ILE 5 - QG2 ILE 7 far 0 77 0 - 7.3-8.5 QG1 VAL 32 - QG2 ILE 7 far 0 98 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 11584 from cnoeabs.peaks (0.87, 0.77, 14.16 ppm; 2.86 A): 1 out of 9 assignments used, quality = 0.84: QG2 VAL 117 + QD1 ILE 7 OK 84 100 100 84 2.3-4.2 11618/2.1=45...(9) HG13 ILE 57 - QD1 ILE 7 poor 19 96 20 - 2.9-6.2 QG2 VAL 22 - QD1 ILE 7 far 8 84 10 - 4.2-6.3 QG2 THR 9 - QD1 ILE 7 far 5 99 5 - 4.3-5.6 QD1 LEU 14 - QD1 ILE 7 far 0 96 0 - 5.0-6.9 QG2 VAL 104 - QD1 ILE 7 far 0 70 0 - 6.8-8.8 QG2 VAL 107 - QD1 ILE 7 far 0 100 0 - 7.3-9.2 QD2 LEU 90 - QD1 ILE 7 far 0 77 0 - 8.4-10.4 QG1 VAL 32 - QD1 ILE 7 far 0 100 0 - 8.8-10.4 Violated in 17 structures by 0.42 A. Peak 11585 from cnoeabs.peaks (0.73, 4.74, 60.69 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.80: QG2 ILE 7 + HA THR 9 OK 80 90 100 89 4.3-4.8 9117/3.2=58, 9108/3.0=52...(7) QD1 LEU 6 - HA THR 9 far 0 65 0 - 7.0-7.8 QG2 ILE 18 - HA THR 9 far 0 77 0 - 7.5-8.8 HG13 ILE 18 - HA THR 9 far 0 99 0 - 8.3-9.4 QG1 VAL 117 - HA THR 9 far 0 87 0 - 8.3-9.7 QD2 LEU 6 - HA THR 9 far 0 100 0 - 9.0-10.4 QD1 LEU 63 - HA THR 9 far 0 96 0 - 9.3-10.6 QD2 LEU 55 - HA THR 9 far 0 100 0 - 9.4-10.8 Violated in 20 structures by 0.59 A. Peak 11591 from cnoeabs.peaks (6.99, 6.72, 131.81 ppm; 5.97 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 79 + QD PHE 79 OK 100 100 100 100 3.8-3.8 3.8=100 QD TYR 102 + QD PHE 79 OK 84 99 100 85 6.2-7.0 9875/4648=65...(5) Violated in 0 structures by 0.00 A. Peak 11594 from cnoeabs.peaks (7.14, 1.65, 29.50 ppm; 4.56 A): 2 out of 4 assignments used, quality = 0.99: QE PHE 93 + HD3 LYS 65 OK 90 97 95 97 1.8-6.9 4676/3.0=63, ~10463=36...(12) QE PHE 93 + HD2 LYS 65 OK 86 98 90 97 2.0-7.7 4676/3.0=63, ~10463=36...(12) QE PHE 120 - HD3 LYS 115 far 0 94 0 - 7.0-11.1 QE PHE 120 - HD2 LYS 115 far 0 97 0 - 7.2-11.2 Violated in 2 structures by 0.12 A. Peak 11595 from cnoeabs.peaks (6.89, 1.65, 29.50 ppm; 5.78 A): 0 out of 5 assignments used, quality = 0.00: HE22 GLN 62 - HD2 LYS 65 far 5 100 5 - 6.7-12.2 HE22 GLN 62 - HD3 LYS 65 far 5 99 5 - 6.8-12.0 H TYR 102 - HD2 LYS 65 far 0 100 0 - 7.9-13.9 H TYR 102 - HD3 LYS 65 far 0 99 0 - 8.7-13.8 HE22 GLN 25 - HD3 LYS 115 far 0 83 0 - 9.9-19.2 Violated in 20 structures by 1.56 A. Peak 11596 from cnoeabs.peaks (8.71, 1.65, 29.50 ppm; 4.97 A): 0 out of 4 assignments used, quality = 0.00: H ASP 110 - HD2 LYS 115 far 0 67 0 - 7.9-11.9 H ASP 110 - HD3 LYS 115 far 0 63 0 - 8.3-11.4 H ARG 105 - HD3 LYS 65 far 0 94 0 - 9.4-15.3 H ARG 105 - HD2 LYS 65 far 0 96 0 - 9.9-16.1 Violated in 20 structures by 3.24 A. Peak 11597 from cnoeabs.peaks (2.96, 3.80, 59.88 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.94: HD3 ARG 118 + HA LYS 115 OK 94 94 100 100 2.0-5.5 3.7/8264=99, 3.7/8262=96...(10) HB2 ASN 24 - HA LYS 115 far 0 99 0 - 9.8-15.7 HE3 LYS 20 - HA LYS 115 far 0 100 0 - 9.8-15.8 HE2 LYS 20 - HA LYS 115 far 0 100 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 11598 from cnoeabs.peaks (3.16, 3.80, 59.88 ppm; 5.84 A): 1 out of 1 assignment used, quality = 0.90: HD2 ARG 118 + HA LYS 115 OK 90 90 100 100 2.9-5.6 1.8/10540=99...(14) Violated in 0 structures by 0.00 A. Peak 11600 from cnoeabs.peaks (8.57, 0.79, 24.93 ppm; 4.43 A): 0 out of 1 assignment used, quality = 0.00: H VAL 107 - QD1 LEU 81 poor 16 81 20 - 5.3-6.9 Violated in 20 structures by 1.74 A. Peak 11601 from cnoeabs.peaks (8.11, 0.79, 24.93 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: H ALA 113 + QD1 LEU 81 OK 98 98 100 100 4.6-5.9 3.0/11606=86, ~10419=61...(13) H VAL 117 + QD1 LEU 81 OK 94 94 100 100 2.5-2.8 737/11637=85...(15) Violated in 0 structures by 0.00 A. Peak 11602 from cnoeabs.peaks (8.02, 0.79, 24.93 ppm; 4.72 A): 2 out of 4 assignments used, quality = 0.95: H ARG 118 + QD1 LEU 81 OK 78 97 100 80 4.4-5.2 8261/10452=51...(8) H ILE 116 + QD1 LEU 81 OK 77 77 100 100 3.1-3.6 3.9/11637=83...(12) H ASP 109 - QD1 LEU 81 far 0 70 0 - 7.4-8.8 H VAL 22 - QD1 LEU 81 far 0 65 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 11603 from cnoeabs.peaks (7.14, 0.79, 24.93 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 120 + QD1 LEU 81 OK 100 100 100 100 1.9-3.3 2.2/4716=61...(17) QE PHE 93 - QD1 LEU 81 far 0 100 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 11604 from cnoeabs.peaks (7.15, 0.78, 26.01 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.73: QE PHE 93 + QD1 LEU 82 OK 73 73 100 100 1.9-4.5 9981/2.1=90...(11) QE PHE 120 - QD1 LEU 82 far 8 77 10 - 5.0-7.6 Violated in 0 structures by 0.00 A. Peak 11605 from cnoeabs.peaks (5.24, 0.78, 25.50 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.90: HA VAL 104 + QD1 LEU 80 OK 90 90 100 100 1.9-4.7 3.2/11092=94...(22) Violated in 0 structures by 0.00 A. Peak 11606 from cnoeabs.peaks (3.79, 0.79, 24.93 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.83: HA ALA 113 + QD1 LEU 81 OK 83 87 100 96 2.1-3.7 9956/2.1=60, ~10419=44...(13) HA LYS 115 - QD1 LEU 81 far 0 87 0 - 5.5-5.9 Violated in 1 structures by 0.00 A. Peak 11607 from cnoeabs.peaks (2.10, 0.79, 24.93 ppm; 3.30 A): 1 out of 11 assignments used, quality = 0.42: HB VAL 107 + QD1 LEU 81 OK 42 77 75 72 3.7-5.4 ~11458=29, ~11457=25...(7) HG3 GLN 83 - QD1 LEU 81 far 0 73 0 - 4.9-7.7 HB2 GLU 119 - QD1 LEU 81 far 0 73 0 - 4.9-6.0 HB3 GLU 112 - QD1 LEU 81 far 0 65 0 - 5.4-6.9 HB2 GLU 112 - QD1 LEU 81 far 0 70 0 - 6.0-7.9 HB3 GLU 119 - QD1 LEU 81 far 0 84 0 - 6.2-7.2 HG3 GLU 21 - QD1 LEU 81 far 0 100 0 - 6.7-8.8 HB2 GLU 21 - QD1 LEU 81 far 0 77 0 - 7.1-8.6 HB2 GLU 103 - QD1 LEU 81 far 0 81 0 - 7.5-9.4 HG2 GLU 21 - QD1 LEU 81 far 0 99 0 - 7.7-9.8 HB2 GLU 111 - QD1 LEU 81 far 0 100 0 - 8.7-9.8 Violated in 20 structures by 1.21 A. Peak 11608 from cnoeabs.peaks (0.38, 0.79, 24.93 ppm; 3.38 A): 0 out of 2 assignments used, quality = 0.00: QD1 ILE 97 - QD1 LEU 81 far 0 77 0 - 7.2-10.1 QD2 LEU 68 - QD1 LEU 81 far 0 98 0 - 7.8-9.0 Violated in 20 structures by 4.14 A. Peak 11609 from cnoeabs.peaks (2.40, 0.73, 25.37 ppm; 5.89 A): 5 out of 8 assignments used, quality = 1.00: HG3 MET 67 + QD2 LEU 6 OK 100 100 100 100 1.8-3.8 3.0/11610=78, ~11564=71...(18) HG3 MET 67 + QD1 LEU 63 OK 70 83 85 99 5.9-8.3 ~9721=59, 9683/2.1=39...(17) HG2 GLU 66 + QD1 LEU 63 OK 54 79 70 97 6.8-7.8 11070/4715=74, ~11068=58...(7) HG3 GLN 62 + QD1 LEU 63 OK 50 58 100 87 3.7-6.4 5.2/9665=41, 11407=29...(7) HG2 GLN 62 + QD1 LEU 63 OK 47 55 100 87 3.8-5.7 5.2/9665=41...(7) HG2 GLU 66 - QD2 LEU 6 far 10 98 10 - 6.7-9.4 HG3 GLN 62 - QD2 LEU 6 far 0 77 0 - 9.0-12.0 HG2 GLN 62 - QD2 LEU 6 far 0 73 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 11610 from cnoeabs.peaks (2.06, 0.73, 25.37 ppm; 4.32 A): 1 out of 8 assignments used, quality = 0.87: HB3 MET 67 + QD2 LEU 6 OK 87 94 100 93 2.8-3.9 3.0/9719=37, ~11563=32...(15) HB2 GLU 66 - QD1 LEU 63 poor 17 48 50 71 5.4-8.1 ~11068=26, 8111/4715=21...(9) HB3 MET 67 - QD1 LEU 63 far 7 74 10 - 5.6-7.4 HB3 PHE 79 - QD2 LEU 6 far 0 70 0 - 6.8-8.1 HB2 GLU 66 - QD2 LEU 6 far 0 65 0 - 6.8-8.6 HB3 GLN 100 - QD2 LEU 6 far 0 92 0 - 8.3-10.5 HG3 GLU 52 - QD2 LEU 6 far 0 81 0 - 8.6-15.4 HB2 GLN 28 - QD2 LEU 6 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 11611 from cnoeabs.peaks (1.66, 0.73, 25.37 ppm; 3.16 A): 1 out of 10 assignments used, quality = 0.22: HG LEU 64 + QD2 LEU 6 OK 22 81 35 78 3.1-5.2 11537/2.1=50, ~10965=11...(10) HB ILE 5 - QD2 LEU 6 far 0 92 0 - 5.8-6.4 HB2 ARG 30 - QD2 LEU 6 far 0 100 0 - 6.2-8.5 HD2 LYS 65 - QD2 LEU 6 far 0 100 0 - 6.3-10.0 HD3 LYS 65 - QD2 LEU 6 far 0 99 0 - 7.1-9.4 HD3 LYS 65 - QD1 LEU 63 far 0 81 0 - 7.3-10.0 HG LEU 64 - QD1 LEU 63 far 0 61 0 - 7.4-7.9 HD2 LYS 65 - QD1 LEU 63 far 0 83 0 - 7.5-9.9 HB2 ARG 30 - QD1 LEU 63 far 0 83 0 - 7.7-9.2 HB2 GLU 52 - QD2 LEU 6 far 0 100 0 - 9.5-14.6 Violated in 19 structures by 1.32 A. Peak 11612 from cnoeabs.peaks (8.93, 0.73, 25.37 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: H ILE 7 + QD2 LEU 6 OK 100 100 100 100 2.9-4.2 28/2.1=96, 23/2449=78...(9) H ILE 7 - QD1 LEU 63 far 0 84 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 11613 from cnoeabs.peaks (7.61, 1.75, 26.58 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.94: HE ARG 105 + HG3 ARG 105 OK 94 94 100 100 2.2-4.1 3.8=100 H LYS 115 - HG3 ARG 105 far 0 94 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 11614 from cnoeabs.peaks (7.61, 1.80, 26.58 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.81: HE ARG 105 + HG2 ARG 105 OK 81 81 100 100 2.2-4.0 3.8=100 H LYS 115 - HG2 ARG 105 far 0 99 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 11615 from cnoeabs.peaks (1.35, 5.18, 58.22 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 81 + HA ILE 7 OK 100 100 100 100 2.0-3.4 1.8/11616=100, 9953=100...(16) HG LEU 81 + HA ILE 7 OK 96 96 100 100 4.3-5.0 3.0/11616=95, 11386=93...(11) Violated in 0 structures by 0.00 A. Peak 11616 from cnoeabs.peaks (1.93, 5.18, 58.22 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.98: HB2 LEU 81 + HA ILE 7 OK 98 98 100 100 2.0-4.1 11619/3.2=72, 9952=70...(16) HG2 MET 121 - HA ILE 7 far 0 96 0 - 9.5-12.0 HB ILE 15 - HA ILE 7 far 0 92 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 11617 from cnoeabs.peaks (1.57, 0.77, 14.16 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.75: HG LEU 55 + QD1 ILE 7 OK 75 100 90 84 2.4-6.2 2.1/2524=30, ~11136=29...(11) HG LEU 68 - QD1 ILE 7 far 0 61 0 - 7.1-9.2 HG12 ILE 116 - QD1 ILE 7 far 0 77 0 - 7.2-9.5 HB VAL 78 - QD1 ILE 7 far 0 87 0 - 7.4-9.3 HG2 LYS 123 - QD1 ILE 7 far 0 98 0 - 8.0-12.1 HG2 LYS 115 - QD1 ILE 7 far 0 96 0 - 8.4-10.7 Violated in 4 structures by 0.24 A. Peak 11618 from cnoeabs.peaks (0.87, 1.25, 27.10 ppm; 3.47 A): 1 out of 8 assignments used, quality = 0.71: QG2 VAL 117 + HG13 ILE 7 OK 71 100 75 95 2.5-5.3 11584/2.1=81, ~11195=24...(8) HG13 ILE 57 - HG13 ILE 7 poor 19 96 20 - 4.1-8.6 QG2 THR 9 - HG13 ILE 7 far 0 99 0 - 5.3-6.5 QD1 LEU 14 - HG13 ILE 7 far 0 96 0 - 5.4-8.6 QG2 VAL 22 - HG13 ILE 7 far 0 84 0 - 5.7-8.6 QG2 VAL 104 - HG13 ILE 7 far 0 70 0 - 7.0-10.3 QG2 VAL 107 - HG13 ILE 7 far 0 100 0 - 8.3-11.2 QD2 LEU 90 - HG13 ILE 7 far 0 77 0 - 9.9-11.9 Violated in 16 structures by 0.79 A. Peak 11619 from cnoeabs.peaks (0.75, 1.92, 45.78 ppm; 3.66 A): 1 out of 7 assignments used, quality = 0.98: QG2 ILE 7 + HB2 LEU 81 OK 98 100 100 98 2.5-4.1 11620/1.8=43...(18) QG1 VAL 107 - HB2 LEU 81 far 4 73 5 - 5.1-6.5 HG13 ILE 18 - HB2 LEU 81 far 0 65 0 - 6.0-7.6 QD2 LEU 55 - HB2 LEU 81 far 0 90 0 - 6.5-8.7 QD2 LEU 6 - HB2 LEU 81 far 0 87 0 - 6.6-8.4 QD2 LEU 14 - HB2 LEU 81 far 0 73 0 - 8.3-9.6 QD1 ILE 15 - HB2 LEU 81 far 0 70 0 - 8.9-11.7 Violated in 8 structures by 0.11 A. Peak 11620 from cnoeabs.peaks (0.75, 1.36, 45.78 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 7 + HB3 LEU 81 OK 96 97 100 99 1.9-3.8 11619/1.8=69...(18) QD1 ILE 7 + HB3 LEU 81 OK 72 73 100 98 1.8-3.8 9074=40, 2.1/11624=34...(17) QG1 VAL 107 - HB3 LEU 81 far 0 87 0 - 5.3-6.3 QD2 LEU 55 - HB3 LEU 81 far 0 77 0 - 6.1-8.1 QD2 LEU 6 - HB3 LEU 81 far 0 73 0 - 6.8-7.7 QD1 ILE 15 - HB3 LEU 81 far 0 84 0 - 7.5-10.5 QD2 LEU 14 - HB3 LEU 81 far 0 87 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 11621 from cnoeabs.peaks (1.25, 1.92, 45.78 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: HG13 ILE 7 + HB2 LEU 81 OK 100 100 100 100 2.0-5.0 3.2/11619=91...(13) Violated in 0 structures by 0.00 A. Peak 11622 from cnoeabs.peaks (1.45, 1.92, 45.78 ppm; 5.57 A): 3 out of 5 assignments used, quality = 1.00: HG12 ILE 7 + HB2 LEU 81 OK 97 97 100 100 2.5-4.8 3.2/11619=94...(14) HB3 LEU 6 + HB2 LEU 81 OK 79 98 100 81 5.8-6.8 11387/1536=33...(9) HG LEU 80 + HB2 LEU 81 OK 66 90 80 92 5.1-7.7 5.3/9943=44, 4.3/9917=41...(10) HG2 LYS 106 - HB2 LEU 81 far 0 96 0 - 8.0-11.0 HG12 ILE 57 - HB2 LEU 81 far 0 96 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 11623 from cnoeabs.peaks (1.46, 1.36, 45.78 ppm; 4.71 A): 3 out of 5 assignments used, quality = 1.00: HG12 ILE 7 + HB3 LEU 81 OK 100 100 100 100 1.9-4.1 11388/3.1=89...(14) HB3 LEU 6 + HB3 LEU 81 OK 55 100 90 61 5.6-6.3 11387/3.8=27...(6) HG LEU 80 + HB3 LEU 81 OK 37 77 70 68 4.8-7.8 11387/3.8=18...(8) HG12 ILE 57 - HB3 LEU 81 far 0 99 0 - 7.3-11.1 HG2 LYS 106 - HB3 LEU 81 far 0 99 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 11624 from cnoeabs.peaks (1.25, 1.36, 45.78 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: HG13 ILE 7 + HB3 LEU 81 OK 100 100 100 100 1.7-4.3 11621/1.8=76, ~11388=70...(12) Violated in 0 structures by 0.00 A. Peak 11625 from cnoeabs.peaks (5.18, 0.78, 25.50 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.88: HA ILE 7 + QD1 LEU 80 OK 88 100 100 88 3.2-5.5 9951/7715=70, 2492=25...(9) HA VAL 78 - QD1 LEU 80 far 0 84 0 - 6.4-8.8 Violated in 7 structures by 0.06 A. Peak 11626 from cnoeabs.peaks (0.73, 3.71, 57.67 ppm; 4.09 A): 4 out of 6 assignments used, quality = 1.00: HG13 ILE 18 + HA LEU 114 OK 95 100 100 95 1.9-3.5 2.1/11126=56...(8) QG1 VAL 117 + HA LEU 114 OK 91 92 100 99 4.5-4.8 2.1/10515=79...(8) QG2 ILE 18 + HA LEU 114 OK 71 84 100 84 3.1-5.0 2.9/11126=50, ~11023=20...(8) QG2 ILE 7 + HA LEU 114 OK 41 84 95 52 4.5-5.8 11582/11126=36...(3) QD2 LEU 55 - HA LEU 114 far 0 99 0 - 6.7-8.4 QD1 LEU 6 - HA LEU 114 far 0 73 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 11628 from cnoeabs.peaks (0.74, 1.40, 40.94 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.90: HG13 ILE 18 + HB3 LEU 114 OK 85 97 90 97 2.8-6.3 11709/3.1=42, ~11629=38...(15) QG2 ILE 18 + HB3 LEU 114 OK 32 65 50 96 4.2-7.2 2.9/11023=31, ~11629=22...(18) QG2 ILE 7 - HB3 LEU 114 far 0 96 0 - 5.5-7.7 QG1 VAL 117 - HB3 LEU 114 far 0 77 0 - 5.9-7.1 QD2 LEU 55 - HB3 LEU 114 far 0 100 0 - 7.5-9.7 Violated in 11 structures by 0.40 A. Peak 11629 from cnoeabs.peaks (1.78, 0.67, 23.24 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.86: HG12 ILE 18 + QD2 LEU 114 OK 86 90 100 96 1.8-3.6 11710=52, 1.8/11709=40...(13) HB2 LYS 19 - QD2 LEU 114 far 0 87 0 - 6.8-8.9 HB2 LEU 55 - QD2 LEU 114 far 0 77 0 - 8.6-12.0 Violated in 2 structures by 0.01 A. Peak 11630 from cnoeabs.peaks (1.86, 0.65, 14.72 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.96: QE MET 42 + QD1 ILE 71 OK 93 100 100 93 1.7-3.6 11685/2.1=43, 9432=32...(20) QE MET 67 + QD1 ILE 71 OK 47 70 80 85 3.4-5.3 3.3/9781=38, 3.3/9714=30...(9) HG LEU 70 - QD1 ILE 71 far 0 77 0 - 5.2-7.3 HG LEU 45 - QD1 ILE 71 far 0 61 0 - 5.2-7.8 HB2 LEU 63 - QD1 ILE 71 far 0 96 0 - 8.3-10.0 Violated in 1 structures by 0.00 A. Peak 11631 from cnoeabs.peaks (7.00, 5.27, 53.06 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.61: HZ PHE 120 + HA LEU 81 OK 61 61 100 100 3.1-4.1 2.2/4739=97, ~4731=71...(16) QD TYR 102 - HA LEU 81 far 0 73 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 11633 from cnoeabs.peaks (1.83, 0.79, 24.93 ppm; 3.15 A): 1 out of 6 assignments used, quality = 0.55: HB3 ARG 105 + QD1 LEU 81 OK 55 81 100 68 3.3-4.5 3.0/11019=26...(9) QE MET 121 - QD1 LEU 81 far 0 100 0 - 5.0-9.5 HB2 LEU 14 - QD1 LEU 81 far 0 97 0 - 6.4-8.5 HB ILE 18 - QD1 LEU 81 far 0 94 0 - 6.5-7.8 HD2 LYS 123 - QD1 LEU 81 far 0 84 0 - 8.1-9.4 HB ILE 57 - QD1 LEU 81 far 0 97 0 - 9.2-11.4 Violated in 20 structures by 0.87 A. Peak 11634 from cnoeabs.peaks (1.83, 0.71, 25.86 ppm; 4.26 A): 0 out of 7 assignments used, quality = 0.00: HB ILE 18 - QD2 LEU 81 poor 19 94 100 20 4.5-5.6 2.9/2924=11, 3.2/2938=10 HB3 ARG 105 - QD2 LEU 81 far 12 81 15 - 5.6-6.9 HB2 LEU 14 - QD2 LEU 81 lone 7 97 90 8 4.3-6.1 2923/2924=3, 2937/2938=3 QE MET 121 - QD2 LEU 81 lone 0 100 30 1 4.9-9.3 HB ILE 57 - QD2 LEU 81 far 0 97 0 - 6.9-9.1 HB3 LYS 19 - QD2 LEU 81 far 0 99 0 - 8.4-9.6 HD2 LYS 123 - QD2 LEU 81 far 0 84 0 - 10.0-11.2 Violated in 5 structures by 0.07 A. Peak 11635 from cnoeabs.peaks (2.10, 0.71, 25.86 ppm; 4.81 A): 1 out of 11 assignments used, quality = 0.52: HB VAL 107 + QD2 LEU 81 OK 52 65 80 100 5.2-6.5 11607/2.1=98, ~11458=63...(7) HG3 GLN 83 - QD2 LEU 81 poor 15 61 80 30 4.8-7.2 3.9/5545=18, 5628/10419=14 HG3 GLU 21 - QD2 LEU 81 far 5 98 5 - 6.0-8.4 HB2 GLU 21 - QD2 LEU 81 far 0 65 0 - 6.4-7.5 HB3 GLU 112 - QD2 LEU 81 far 0 77 0 - 6.7-7.6 HB2 GLU 112 - QD2 LEU 81 far 0 81 0 - 6.9-8.7 HG2 GLU 21 - QD2 LEU 81 far 0 96 0 - 7.0-8.9 HB2 GLU 119 - QD2 LEU 81 far 0 61 0 - 7.0-7.7 HB3 GLU 119 - QD2 LEU 81 far 0 73 0 - 8.3-9.1 HB2 GLU 111 - QD2 LEU 81 far 0 100 0 - 8.9-9.7 HB2 GLU 103 - QD2 LEU 81 far 0 90 0 - 9.4-11.4 Violated in 20 structures by 1.11 A. Peak 11636 from cnoeabs.peaks (1.63, 0.71, 25.86 ppm; 3.44 A): 1 out of 8 assignments used, quality = 0.99: HB ILE 116 + QD2 LEU 81 OK 99 100 100 100 3.4-3.7 11637/2.1=84...(19) HG LEU 114 - QD2 LEU 81 poor 13 65 20 - 4.5-6.5 HB ILE 5 - QD2 LEU 81 far 0 84 0 - 5.8-7.1 HB2 LEU 82 - QD2 LEU 81 far 0 87 0 - 6.1-6.6 HG LEU 64 - QD2 LEU 81 far 0 94 0 - 7.6-9.6 HB3 LEU 64 - QD2 LEU 81 far 0 99 0 - 8.5-9.9 HG2 LYS 16 - QD2 LEU 81 far 0 98 0 - 9.2-11.4 HG LEU 90 - QD2 LEU 81 far 0 98 0 - 9.7-11.0 Violated in 20 structures by 0.12 A. Peak 11637 from cnoeabs.peaks (1.63, 0.79, 24.93 ppm; 2.67 A): 1 out of 8 assignments used, quality = 0.94: HB ILE 116 + QD1 LEU 81 OK 94 100 100 94 1.5-1.7 2.1/9958=47...(17) HB2 LEU 82 - QD1 LEU 81 far 0 87 0 - 5.4-6.6 HG LEU 114 - QD1 LEU 81 far 0 65 0 - 5.7-7.4 HB ILE 5 - QD1 LEU 81 far 0 84 0 - 6.7-8.0 HG LEU 64 - QD1 LEU 81 far 0 94 0 - 8.4-10.4 HG LEU 90 - QD1 LEU 81 far 0 98 0 - 8.7-10.3 HB3 LEU 64 - QD1 LEU 81 far 0 99 0 - 9.9-10.9 HD2 LYS 77 - QD1 LEU 81 far 0 94 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 11638 from cnoeabs.peaks (0.75, 1.35, 27.36 ppm; 3.16 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 7 + HG LEU 81 OK 91 96 100 96 3.0-3.6 11619/3.0=41...(20) QG1 VAL 107 + HG LEU 81 OK 72 90 100 80 3.1-4.0 11458=44, ~11607=31...(7) QD1 ILE 7 - HG LEU 81 poor 19 77 25 - 3.8-5.7 QD2 LEU 14 - HG LEU 81 far 0 90 0 - 6.5-7.5 QD2 LEU 55 - HG LEU 81 far 0 73 0 - 7.8-9.6 QD1 ILE 15 - HG LEU 81 far 0 87 0 - 8.3-10.4 QD2 LEU 6 - HG LEU 81 far 0 70 0 - 8.7-9.8 Violated in 6 structures by 0.02 A. Peak 11639 from cnoeabs.peaks (0.87, 1.35, 27.36 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.86: QG2 VAL 117 + HG LEU 81 OK 86 100 100 86 3.5-3.9 2.1/5536=26...(12) QG2 VAL 107 - HG LEU 81 far 5 100 5 - 5.0-5.8 QG2 THR 9 - HG LEU 81 far 5 99 5 - 4.4-6.6 QD1 LEU 14 - HG LEU 81 lone 3 94 30 12 4.6-6.2 ~11634=7, 11583/11638=5 QG2 VAL 104 - HG LEU 81 far 0 73 0 - 5.4-8.4 QD2 LEU 90 - HG LEU 81 far 0 81 0 - 6.4-7.6 HG13 ILE 57 - HG LEU 81 far 0 94 0 - 8.8-12.3 QG2 VAL 22 - HG LEU 81 far 0 81 0 - 9.5-11.2 Violated in 7 structures by 0.03 A. Peak 11640 from cnoeabs.peaks (1.50, 0.38, 23.07 ppm; 6.20 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 6 + QD2 LEU 68 OK 100 100 100 100 2.2-3.1 3.1/11343=99...(9) HG LEU 6 + QD2 LEU 68 OK 77 77 100 100 2.0-3.4 2.1/11343=100, ~9766=93...(7) QB ALA 124 - QD2 LEU 68 far 0 100 0 - 7.9-8.9 HG LEU 38 - QD2 LEU 68 far 0 73 0 - 8.3-9.5 HB2 LYS 61 - QD2 LEU 68 far 0 87 0 - 9.0-11.1 HB3 ARG 30 - QD2 LEU 68 far 0 94 0 - 9.9-11.6 HG2 LYS 43 - QD2 LEU 68 far 0 96 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11641 from cnoeabs.peaks (0.34, 0.51, 25.27 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.48: QD1 ILE 97 + QD1 LEU 68 OK 48 61 100 79 1.8-3.6 3.0/11496=46...(13) Violated in 1 structures by 0.01 A. Peak 11642 from cnoeabs.peaks (2.19, 1.59, 26.45 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.93: HB2 MET 67 + HG LEU 68 OK 76 77 100 99 3.4-6.1 4.6/1449=91, 11271=68...(7) HB2 GLU 69 + HG LEU 68 OK 72 84 95 90 6.7-7.9 4.0/425=62, ~11489=37...(5) HG3 GLU 66 - HG LEU 68 far 5 100 5 - 7.4-10.0 HB2 MET 42 - HG LEU 68 far 0 100 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 11643 from cnoeabs.peaks (0.38, 1.90, 37.90 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 68 + HB ILE 71 OK 97 97 100 100 2.9-4.4 9775/2.1=94, 4.0/8146=91...(12) QD1 ILE 97 - HB ILE 71 far 0 81 0 - 7.9-10.6 Violated in 0 structures by 0.00 A. Peak 11644 from cnoeabs.peaks (4.73, 3.33, 42.86 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.79: HA ARG 30 + HD2 ARG 30 OK 79 81 100 98 2.4-4.4 5.3=86, 3.6/176=46...(6) Violated in 0 structures by 0.00 A. Peak 11645 from cnoeabs.peaks (4.72, 2.93, 42.86 ppm; 4.82 A): 0 out of 0 assignments used, quality = 0.00: Peak 11646 from cnoeabs.peaks (2.99, 4.09, 59.39 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.97: HE2 LYS 43 + HA LYS 43 OK 90 90 100 100 2.1-5.3 3.9/3814=98, 6.6=83...(64) HE3 LYS 43 + HA LYS 43 OK 73 73 100 100 3.1-5.2 3.9/3814=98, 6.6=83...(63) HE2 LYS 39 - HA LYS 43 far 9 87 10 - 6.2-11.8 HE2 LYS 73 - HA LYS 43 lone 1 94 60 3 5.4-12.3 HE3 LYS 73 - HA LYS 43 lone 1 81 55 3 5.1-11.2 HE3 LYS 39 - HA LYS 43 lone 1 92 30 3 5.4-11.5 Violated in 0 structures by 0.00 A. Peak 11647 from cnoeabs.peaks (2.96, 4.09, 58.54 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.2-6.0 3.9/3063=97, 3.9/3037=97...(55) HE3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.4-6.0 3.9/3063=97, 3.9/3037=97...(55) HB2 ASN 24 - HA LYS 20 lone 1 100 80 2 4.8-8.7 HB3 ASN 24 - HA LYS 20 lone 1 100 50 2 5.8-9.8 HD3 ARG 118 - HA LYS 20 far 0 98 0 - 8.5-15.2 Violated in 0 structures by 0.00 A. Peak 11649 from cnoeabs.peaks (0.62, 2.47, 39.05 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 78 + HB2 TYR 102 OK 100 100 100 100 3.7-5.8 4694/2.5=100, ~9872=79...(7) QD1 ILE 5 - HB2 TYR 102 lone 2 98 30 7 6.9-10.4 9484/2.5=5 Violated in 0 structures by 0.00 A. Peak 11651 from cnoeabs.peaks (0.62, 1.38, 27.05 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.94: QD1 ILE 18 + HG LEU 14 OK 94 96 100 99 3.3-3.8 11652/2.1=78, 9197=40...(15) HG13 ILE 15 - HG LEU 14 far 0 77 0 - 6.0-7.6 QG1 VAL 22 - HG LEU 14 far 0 70 0 - 8.2-10.0 Violated in 12 structures by 0.04 A. Peak 11652 from cnoeabs.peaks (0.62, 0.86, 22.48 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.91: QD1 ILE 18 + QD1 LEU 14 OK 91 96 100 95 1.9-2.7 11651/2.1=52...(17) HG13 ILE 15 - QD1 LEU 14 far 0 77 0 - 5.7-7.1 QG1 VAL 22 - QD1 LEU 14 far 0 70 0 - 6.1-7.3 QD1 ILE 5 - QD1 LEU 14 far 0 100 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 11653 from cnoeabs.peaks (1.94, 1.10, 27.09 ppm; 5.61 A): 1 out of 2 assignments used, quality = 0.84: HB VAL 29 + HG2 LYS 19 OK 84 84 100 100 2.8-5.1 2.1/10926=99, 11657=71...(9) HB3 LYS 17 - HG2 LYS 19 far 0 65 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 11654 from cnoeabs.peaks (8.05, 1.97, 29.43 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.89: H VAL 22 + HB3 GLU 21 OK 89 90 100 100 2.6-4.1 4.7=84, 11655/1.8=81...(8) H GLN 122 - HB3 GLU 21 far 0 98 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 11655 from cnoeabs.peaks (8.04, 2.12, 29.43 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.91: H VAL 22 + HB2 GLU 21 OK 91 100 100 91 2.6-3.6 4.7=47, 11654/1.8=45...(8) H ARG 118 - HB2 GLU 21 lone 0 84 25 2 4.8-7.4 H GLY 26 - HB2 GLU 21 far 0 61 0 - 8.5-11.8 H GLN 122 - HB2 GLU 21 far 0 77 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 11656 from cnoeabs.peaks (8.04, 2.11, 35.31 ppm; 4.43 A): 3 out of 9 assignments used, quality = 1.00: H VAL 22 + HG2 GLU 21 OK 94 97 100 97 2.9-5.2 11655/3.0=75...(6) H VAL 22 + HG3 GLU 21 OK 94 96 100 97 4.3-5.3 11655/3.0=75...(6) H ASP 109 + HB VAL 107 OK 72 72 100 100 4.6-5.4 10354/2.1=88...(7) H ARG 118 - HG2 GLU 21 poor 13 65 20 - 5.6-8.6 H ARG 118 - HG3 GLU 21 lone 3 65 50 9 4.9-7.3 7.0/11173=5, 10848/10867=3 H ARG 118 - HB VAL 107 far 0 45 0 - 9.2-10.5 H LEU 90 - HB VAL 107 far 0 78 0 - 9.4-12.0 H GLN 122 - HG2 GLU 21 far 0 92 0 - 9.6-13.9 H GLN 122 - HG3 GLU 21 far 0 91 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 11657 from cnoeabs.peaks (1.09, 1.95, 32.47 ppm; 5.43 A): 1 out of 2 assignments used, quality = 0.94: HG2 LYS 19 + HB VAL 29 OK 94 94 100 100 2.8-5.1 10926/2.1=94, 11653=65...(9) HG2 LYS 53 - HB VAL 29 far 0 100 0 - 9.6-14.2 Violated in 0 structures by 0.00 A. Peak 11658 from cnoeabs.peaks (3.21, 1.81, 27.65 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HB2 PHE 120 + HG12 ILE 5 OK 99 99 100 100 2.9-6.0 ~11352=89, ~4709=87...(16) Violated in 0 structures by 0.00 A. Peak 11661 from cnoeabs.peaks (4.16, 1.68, 28.78 ppm; 4.11 A): 4 out of 12 assignments used, quality = 1.00: HA LEU 70 + HD3 LYS 73 OK 94 100 100 94 3.5-5.4 11081/3.0=43...(9) HA LEU 70 + HD2 LYS 73 OK 70 100 75 94 2.4-6.1 11081/3.0=43...(9) HA LEU 70 + HG12 ILE 71 OK 59 78 95 79 4.9-6.9 3.6/1469=38, 11077=26...(9) HA ARG 95 + HD2 LYS 96 OK 40 79 65 79 5.1-6.3 3.6/6131=22, 3.0/6028=20...(15) HA ARG 95 - HD3 LYS 96 poor 16 80 25 82 4.9-7.2 3.6/6131=22, 3.0/6028=15...(30) HA LEU 70 - HD2 LYS 43 far 5 97 5 - 5.0-9.9 HA LEU 70 - HD3 LYS 43 lone 0 100 35 1 5.3-8.3 HA GLU 89 - HD3 LYS 96 far 0 71 0 - 6.8-9.9 HA GLU 89 - HD2 LYS 96 far 0 69 0 - 8.1-11.4 HA LEU 45 - HD2 LYS 43 far 0 75 0 - 8.1-9.7 HA LEU 45 - HD3 LYS 43 far 0 81 0 - 8.8-10.6 HA LEU 45 - HG12 ILE 71 far 0 56 0 - 9.1-12.8 Violated in 5 structures by 0.02 A. Peak 11662 from cnoeabs.peaks (1.67, 2.42, 35.05 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.67: HG3 ARG 95 + HG2 GLU 91 OK 67 99 70 97 4.9-9.0 1.8/11663=91, ~11665=54 HD2 LYS 96 - HG2 GLU 91 far 0 94 0 - 9.3-12.0 HD3 LYS 96 - HG2 GLU 91 far 0 90 0 - 9.5-10.8 Violated in 18 structures by 1.27 A. Peak 11663 from cnoeabs.peaks (1.87, 2.42, 35.05 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.73: HG2 ARG 95 + HG2 GLU 91 OK 73 99 85 87 4.8-8.2 1.8/11662=69...(3) Violated in 18 structures by 1.14 A. Peak 11665 from cnoeabs.peaks (2.29, 1.88, 27.31 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.85: HG3 GLU 91 + HG2 ARG 95 OK 85 100 85 100 4.9-8.8 1.8/11663=98, ~11662=79...(4) HG3 GLU 87 - HG2 ARG 95 far 0 96 0 - 8.5-12.9 HG2 GLU 87 - HG2 ARG 95 far 0 96 0 - 9.6-14.2 Violated in 12 structures by 0.48 A. Peak 11669 from cnoeabs.peaks (0.89, 2.47, 39.05 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 104 + HB2 TYR 102 OK 99 100 100 100 3.7-7.3 4691/2.5=89...(5) QD1 LEU 90 - HB2 TYR 102 far 0 73 0 - 9.5-15.1 Violated in 3 structures by 0.10 A. Peak 11670 from cnoeabs.peaks (0.88, 2.75, 39.05 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.89: QG2 VAL 104 + HB3 TYR 102 OK 89 100 90 99 4.5-7.3 11092/11694=80...(5) Violated in 7 structures by 0.25 A. Peak 11672 from cnoeabs.peaks (2.71, 0.87, 20.76 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.81: HB3 ASP 109 + QG2 VAL 107 OK 81 81 100 100 3.2-5.0 4.0/10354=89...(12) Violated in 0 structures by 0.00 A. Peak 11673 from cnoeabs.peaks (1.46, 0.72, 21.31 ppm; 6.00 A): 2 out of 8 assignments used, quality = 1.00: HG12 ILE 7 + QG1 VAL 117 OK 100 100 100 100 1.9-3.2 ~11584=97, ~11618=95...(12) HB3 LEU 6 + QG1 VAL 117 OK 22 100 100 22 6.4-7.4 11623/5529=7...(4) HG LEU 80 - QG1 VAL 117 lone 4 70 40 14 6.9-9.5 11622/5522=5...(3) HG12 ILE 57 - QG1 VAL 117 lone 1 100 70 2 5.7-8.3 HG LEU 4 - QG1 VAL 117 far 0 97 0 - 8.8-10.9 HG3 LYS 20 - QG1 VAL 117 far 0 65 0 - 9.1-11.7 HG3 ARG 30 - QG1 VAL 117 far 0 98 0 - 9.2-12.6 HG2 LYS 106 - QG1 VAL 117 far 0 100 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 11676 from cnoeabs.peaks (1.75, 0.86, 22.48 ppm; 3.32 A): 2 out of 5 assignments used, quality = 0.88: HG12 ILE 18 + QD1 LEU 14 OK 78 81 100 97 2.2-3.5 2.1/11652=68, ~11651=32...(19) HB2 LEU 114 + QD1 LEU 14 OK 44 73 75 79 2.1-5.1 3.0/11519=48...(14) HG2 LYS 17 - QD1 LEU 14 far 15 99 15 - 2.5-5.6 HB3 LEU 82 - QD1 LEU 14 far 0 77 0 - 7.8-9.5 HG3 ARG 105 - QD1 LEU 14 far 0 100 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 11677 from cnoeabs.peaks (1.82, 2.81, 29.02 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.84: QE MET 121 + HB3 GLN 25 OK 84 84 100 100 1.8-5.7 11448/3.0=90, 10598=75...(8) HG12 ILE 5 - HB3 GLN 25 far 9 92 10 - 7.1-10.5 HB2 ARG 118 - HB3 GLN 25 lone 1 65 55 2 6.2-10.1 HB ILE 3 - HB3 GLN 25 far 0 90 0 - 8.0-11.5 Violated in 0 structures by 0.00 A. Peak 11680 from cnoeabs.peaks (5.00, 1.78, 33.88 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.96: HA SER 58 + HB VAL 32 OK 92 92 100 100 3.0-5.0 9285/1205=80...(8) HA ASN 33 + HB VAL 32 OK 57 57 100 100 4.9-5.3 ~185=73, ~186=72...(10) Violated in 0 structures by 0.00 A. Peak 11681 from cnoeabs.peaks (5.10, 1.78, 33.88 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.94: HG SER 58 + HB VAL 32 OK 94 94 100 100 2.2-5.0 11712/2.1=71...(8) Violated in 0 structures by 0.00 A. Peak 11682 from cnoeabs.peaks (5.21, 1.78, 33.88 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.98: HA ASP 31 + HB VAL 32 OK 98 100 100 98 4.3-4.5 179/1205=96, ~9273=57...(4) Violated in 0 structures by 0.00 A. Peak 11683 from cnoeabs.peaks (9.01, 2.91, 42.40 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: H GLU 37 + HB2 ASP 34 OK 100 100 100 100 2.6-4.6 11684/3.0=99...(8) Violated in 0 structures by 0.00 A. Peak 11684 from cnoeabs.peaks (9.01, 4.70, 53.48 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.91: H GLU 37 + HA ASP 34 OK 91 100 100 91 4.6-4.8 9327/3.0=54, 2024/194=35...(6) Violated in 20 structures by 0.81 A. Peak 11685 from cnoeabs.peaks (1.02, 1.87, 17.86 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.95: HG13 ILE 71 + QE MET 42 OK 95 100 100 95 1.9-4.7 2.1/11630=62...(9) HG3 LYS 2 - QE MET 42 far 4 90 5 - 5.9-10.1 HB2 PHE 79 - QE MET 42 far 0 65 0 - 9.0-11.2 QD1 LEU 127 - QE MET 42 far 0 87 0 - 9.0-11.6 Violated in 1 structures by 0.01 A. Peak 11686 from cnoeabs.peaks (3.40, 0.84, 17.77 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.69: HB3 SER 58 + QG2 ILE 57 OK 69 70 100 99 4.5-5.6 4.0/348=89, ~9606=59...(6) Violated in 4 structures by 0.02 A. Peak 11687 from cnoeabs.peaks (3.22, 0.84, 17.77 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 15 + QG2 ILE 57 OK 100 100 100 100 2.9-4.3 9559/3.0=78, ~9556=67...(19) HB2 PHE 120 - QG2 ILE 57 far 0 99 0 - 7.8-11.7 Violated in 0 structures by 0.00 A. Peak 11688 from cnoeabs.peaks (5.90, 0.81, 24.93 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 8 + QD1 LEU 64 OK 99 100 100 99 3.0-5.7 3.0/9104=69, 9099=53...(11) Violated in 13 structures by 0.57 A. Peak 11689 from cnoeabs.peaks (7.37, 0.81, 24.93 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.99: HD21 ASN 8 + QD1 LEU 64 OK 99 99 100 100 2.6-5.2 3.5/9104=78...(7) Violated in 0 structures by 0.00 A. Peak 11691 from cnoeabs.peaks (1.21, 1.84, 32.22 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.65: HG13 ILE 3 + HB3 LYS 77 OK 55 73 100 74 2.0-5.7 2.1/11086=34...(5) HG13 ILE 3 + HB2 LYS 77 OK 23 73 45 69 3.0-7.3 2.1/11086=33, ~11086=24...(5) HB3 LEU 74 - HB2 LYS 77 far 0 93 0 - 8.6-9.5 HB3 LEU 74 - HB3 LYS 77 far 0 94 0 - 8.9-10.2 Violated in 11 structures by 0.22 A. Peak 11693 from cnoeabs.peaks (6.77, 2.08, 40.18 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.57: QD PHE 120 + HB3 PHE 79 OK 57 57 100 100 2.6-3.2 ~4723=84, ~4640=80...(11) QD TYR 27 - HB3 PHE 79 far 0 65 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 11694 from cnoeabs.peaks (2.75, 0.78, 25.50 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.89: HB3 TYR 102 + QD1 LEU 80 OK 89 100 90 99 3.9-7.0 2.5/9935=75...(10) HG3 MET 42 - QD1 LEU 80 far 0 90 0 - 8.9-12.6 HB2 ASP 60 - QD1 LEU 80 far 0 77 0 - 9.3-11.6 Violated in 7 structures by 0.32 A. Peak 11696 from cnoeabs.peaks (3.26, 0.71, 25.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 117 + QD2 LEU 81 OK 100 100 100 100 3.4-4.1 10503/9959=80, ~11639=76...(18) Violated in 0 structures by 0.00 A. Peak 11697 from cnoeabs.peaks (1.75, 2.66, 43.77 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.22: HB3 LEU 82 + HB3 ASP 84 OK 22 77 100 28 4.2-7.6 9965/10025=17, 9965/11570=12 HB3 LYS 94 - HB3 ASP 84 far 0 73 0 - 8.1-11.4 HG3 ARG 105 - HB3 ASP 84 far 0 100 0 - 9.7-13.6 Violated in 5 structures by 0.13 A. Peak 11698 from cnoeabs.peaks (1.76, 2.59, 43.77 ppm; 5.73 A): 1 out of 2 assignments used, quality = 0.69: HB2 LEU 90 + HB2 ASP 84 OK 69 70 100 100 3.2-6.0 3.0/11699=82...(9) HG3 ARG 105 - HB2 ASP 84 far 0 97 0 - 9.1-12.6 Violated in 1 structures by 0.02 A. Peak 11699 from cnoeabs.peaks (1.65, 2.59, 43.77 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.90: HG LEU 90 + HB2 ASP 84 OK 90 90 100 100 1.9-4.9 2.1/11571=81, ~11570=77...(8) Violated in 0 structures by 0.00 A. Peak 11700 from cnoeabs.peaks (1.65, 2.66, 43.77 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.90: HG LEU 90 + HB3 ASP 84 OK 90 90 100 100 2.5-5.5 2.1/10025=99...(9) Violated in 0 structures by 0.00 A. Peak 11701 from cnoeabs.peaks (2.60, 1.78, 42.46 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: HB2 ASP 84 + HB2 LEU 90 OK 96 96 100 100 3.2-6.0 11571/3.1=95, ~11570=85...(10) Violated in 0 structures by 0.00 A. Peak 11702 from cnoeabs.peaks (8.66, 4.15, 59.10 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.89: H GLU 98 + HA ARG 95 OK 89 90 100 100 3.4-4.1 2174=86, 4.0/8219=68...(7) H VAL 104 - HA ARG 95 far 0 96 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 11703 from cnoeabs.peaks (7.21, 1.68, 28.78 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.61: QD PHE 93 + HD3 LYS 96 OK 39 91 100 42 3.4-6.2 3.7/11310=38, 4.4/5090=6 QD PHE 93 + HD2 LYS 96 OK 37 90 100 41 4.5-6.6 3.7/11310=38, 4.4/5090=4 Violated in 1 structures by 0.03 A. Peak 11705 from cnoeabs.peaks (0.75, 0.96, 27.65 ppm; 3.51 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 54 + HG13 ILE 56 OK 94 100 95 99 3.5-5.9 11708=93, 11706/1.8=49...(12) QD2 LEU 6 + HG13 ILE 56 OK 66 90 100 74 3.1-4.3 11706/1.8=34...(10) QG2 VAL 32 + HG13 ILE 56 OK 25 70 95 38 3.4-5.0 11707/2.1=16, ~10791=13...(5) QD1 LEU 45 - HG13 ILE 56 poor 19 96 20 - 4.2-7.9 QD2 LEU 55 - HG13 ILE 56 far 5 92 5 - 4.9-8.0 QD1 LEU 63 - HG13 ILE 56 far 0 99 0 - 6.4-8.8 QG2 ILE 7 - HG13 ILE 56 far 0 100 0 - 7.9-9.7 QD1 ILE 15 - HG13 ILE 56 far 0 65 0 - 9.2-12.2 Violated in 1 structures by 0.00 A. Peak 11706 from cnoeabs.peaks (0.75, 1.43, 27.65 ppm; 3.06 A): 2 out of 7 assignments used, quality = 0.93: QG2 ILE 54 + HG12 ILE 56 OK 84 100 95 89 2.4-6.0 11708/1.8=53...(10) QD2 LEU 6 + HG12 ILE 56 OK 59 90 95 69 3.2-4.6 4747=33, 11705/1.8=20...(7) QD1 LEU 45 - HG12 ILE 56 far 10 96 10 - 4.5-6.7 QG2 VAL 32 - HG12 ILE 56 far 3 70 5 - 3.9-6.3 QD2 LEU 55 - HG12 ILE 56 far 0 92 0 - 4.6-7.0 QD1 LEU 63 - HG12 ILE 56 far 0 99 0 - 6.6-10.0 QG2 ILE 7 - HG12 ILE 56 far 0 100 0 - 8.6-9.3 Violated in 2 structures by 0.01 A. Peak 11707 from cnoeabs.peaks (0.75, 0.66, 12.57 ppm; 2.97 A): 3 out of 9 assignments used, quality = 0.92: QG2 ILE 54 + QD1 ILE 56 OK 84 100 95 89 1.8-5.9 11708/2.1=46...(14) QD2 LEU 6 + QD1 ILE 56 OK 31 81 60 65 1.7-5.1 11706/2.1=24...(8) QG2 VAL 32 + QD1 ILE 56 OK 30 81 100 38 3.4-4.2 10928/9726=22, ~10791=9...(4) QD1 LEU 45 - QD1 ILE 56 lone 8 99 45 19 3.7-6.8 9431/9547=13...(3) QD2 LEU 55 - QD1 ILE 56 far 8 84 10 - 3.9-5.7 QD1 ILE 7 - QD1 ILE 56 far 3 65 5 - 4.4-7.7 QD1 LEU 63 - QD1 ILE 56 far 0 96 0 - 5.5-7.8 QG2 ILE 7 - QD1 ILE 56 far 0 99 0 - 5.6-8.3 QD1 ILE 15 - QD1 ILE 56 far 0 77 0 - 7.7-9.7 Violated in 0 structures by 0.00 A. Peak 11708 from cnoeabs.peaks (0.96, 0.75, 17.84 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.92: HG13 ILE 56 + QG2 ILE 54 OK 92 100 95 97 3.5-5.9 1.8/11706=51, 11705=51...(12) HD3 LYS 2 - QG2 ILE 54 far 5 100 5 - 5.1-10.1 QD1 ILE 3 - QG2 ILE 54 far 0 87 0 - 7.3-9.5 QD1 LEU 38 - QG2 ILE 54 far 0 99 0 - 7.7-9.5 Violated in 18 structures by 0.44 A. Peak 11709 from cnoeabs.peaks (0.67, 0.73, 29.49 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 114 + HG13 ILE 18 OK 100 100 100 100 1.8-4.5 11629/1.8=97...(11) QD1 LEU 55 - HG13 ILE 18 poor 6 87 30 22 4.7-7.1 ~11487=10, 11139/10779=5...(6) QD1 ILE 116 - HG13 ILE 18 far 0 96 0 - 7.1-8.9 QD1 ILE 56 - HG13 ILE 18 far 0 90 0 - 9.1-12.0 Violated in 1 structures by 0.01 A. Peak 11710 from cnoeabs.peaks (0.67, 1.76, 29.49 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 114 + HG12 ILE 18 OK 100 100 100 100 1.8-3.6 11629=86, 2.1/11711=64...(13) QD1 LEU 55 - HG12 ILE 18 far 0 77 0 - 6.1-8.2 QD1 ILE 116 - HG12 ILE 18 far 0 90 0 - 7.6-9.7 QD1 ILE 56 - HG12 ILE 18 far 0 96 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 11711 from cnoeabs.peaks (0.80, 1.76, 29.49 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 114 + HG12 ILE 18 OK 99 100 100 99 3.1-5.0 2.1/11710=80, ~11709=47...(11) QD1 LEU 81 - HG12 ILE 18 far 8 77 10 - 5.4-6.7 QG1 VAL 29 - HG12 ILE 18 far 0 99 0 - 6.5-9.1 QD1 LEU 64 - HG12 ILE 18 far 0 92 0 - 9.6-13.4 Violated in 11 structures by 0.19 A. Peak 11712 from cnoeabs.peaks (5.10, 0.87, 21.73 ppm; 5.92 A): 1 out of 1 assignment used, quality = 0.87: HG SER 58 + QG1 VAL 32 OK 87 87 100 100 2.3-4.6 11681/2.1=86, ~9602=65...(8) Violated in 0 structures by 0.00 A. Peak 11713 from cnoeabs.peaks (5.09, 0.76, 21.14 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HG SER 58 + QG2 VAL 32 OK 100 100 100 100 3.9-6.2 2.8/9290=88...(8) Violated in 0 structures by 0.00 A. Peak 11716 from cnoeabs.peaks (1.79, 2.37, 39.01 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.95: HB3 GLN 28 + HB3 TYR 27 OK 86 95 100 90 4.9-7.0 4.0/152=89...(3) HG12 ILE 5 + HB3 TYR 27 OK 65 73 90 99 4.8-8.8 9052/4.4=46, ~9054=45...(11) HB2 LYS 19 - HB3 TYR 27 far 5 100 5 - 6.8-10.3 HB ILE 3 - HB3 TYR 27 far 4 77 5 - 7.7-10.1 HB2 ARG 118 - HB3 TYR 27 far 0 95 0 - 9.7-11.9 Violated in 1 structures by 0.01 A. Peak 11717 from cnoeabs.peaks (9.12, 2.37, 39.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.80: H LEU 55 + HB3 TYR 27 OK 80 80 100 100 2.9-5.7 9230/152=79, 11715=71...(6) H ARG 30 - HB3 TYR 27 lone 11 65 85 20 6.0-8.3 9255/11716=18 Violated in 0 structures by 0.00 A. Peak 11718 from cnoeabs.peaks (0.53, 1.52, 27.91 ppm; 6.20 A): 0 out of 0 assignments used, 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 96 100 100 1.8-3.1 3.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.5=100 Violated in 0 structures by 0.00 A. Peak 4503 from aronoe.peaks (2.37, 6.79, 132.65 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 27 + QD TYR 27 OK 100 100 100 100 2.3-2.7 2.5=100 HG2 GLN 25 + QD TYR 27 OK 22 92 25 94 3.9-7.3 3.0/4571=49, 3.0/4578=41...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4506 from aronoe.peaks (6.79, 6.58, 117.79 ppm; 2.87 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 27 + QE TYR 27 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 120 - QE TYR 27 far 0 100 0 - 6.6-8.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.94: * HA PHE 51 + QD PHE 51 OK 94 94 100 100 2.1-3.7 3.7=100 HA TYR 76 - QD PHE 51 far 0 89 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. Peak 4509 from aronoe.peaks (3.02, 7.13, 131.73 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 51 + QD PHE 51 OK 100 100 100 100 2.3-2.7 2.4=100 HE2 LYS 49 - QD PHE 51 far 9 92 10 - 4.4-11.5 HE3 LYS 49 - QD PHE 51 far 0 92 0 - 6.0-11.7 Violated in 0 structures by 0.00 A. 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 97 100 100 2.3-2.7 2.4=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.96: * HA TYR 76 + QD TYR 76 OK 96 100 100 96 1.9-2.1 3.7=83, 3.0/1503=53...(4) HA PHE 51 - QD TYR 76 far 0 57 0 - 6.4-8.4 Violated in 0 structures by 0.00 A. Peak 4521 from aronoe.peaks (2.66, 6.86, 132.04 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 100 100 2.4-2.8 2.5=100 HG2 MET 42 - QD TYR 76 far 0 96 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.8 2.5=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QE TYR 76 + QD TYR 76 OK 100 100 100 100 2.2-2.2 2.2=100 QE TYR 102 - QD TYR 76 far 0 100 0 - 6.6-8.8 QD PHE 79 - QD TYR 76 far 0 99 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 4525 from aronoe.peaks (6.86, 6.71, 118.08 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 76 + QE TYR 76 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 76 - QE TYR 102 far 0 95 0 - 6.6-8.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA PHE 79 + QD PHE 79 OK 100 100 100 100 3.1-3.2 3.7=100 HA LYS 77 - QD PHE 79 far 0 57 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 4528 from aronoe.peaks (1.04, 6.72, 131.81 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 79 + QD PHE 79 OK 100 100 100 100 2.3-2.6 2.4=100 HG3 LYS 2 - QD PHE 79 far 0 97 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 4529 from aronoe.peaks (2.08, 6.72, 131.81 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 79 + QD PHE 79 OK 100 100 100 100 2.3-2.6 2.4=100 HB2 GLU 103 + QD PHE 79 OK 62 87 90 79 2.6-5.8 11014/3.7=27, 10206=25...(8) HB3 MET 121 - QD PHE 79 far 0 100 0 - 7.0-7.7 HG2 GLU 119 - QD PHE 79 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4532 from aronoe.peaks (6.99, 6.72, 131.81 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 79 + QD PHE 79 OK 100 100 100 100 3.8-3.8 3.8=100 QD TYR 102 - QD PHE 79 far 0 98 0 - 6.2-7.0 Violated in 0 structures by 0.00 A. Peak 4533 from aronoe.peaks (6.72, 7.10, 130.14 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 79 + QE PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 QE TYR 102 - QE PHE 79 far 0 99 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HZ PHE 79 + QE PHE 79 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 102 - QE PHE 79 far 0 98 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 0.99: * HA PHE 93 + QD PHE 93 OK 99 99 100 100 1.6-3.1 3.7=100 HA GLU 98 - QD PHE 93 far 0 97 0 - 7.4-9.0 HB THR 9 - QD PHE 93 far 0 58 0 - 8.5-11.0 HA SER 99 - QD PHE 93 far 0 98 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. 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 99 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. Peak 4541 from aronoe.peaks (3.04, 7.22, 131.52 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.99: * HB3 PHE 93 + QD PHE 93 OK 99 99 100 100 2.3-2.8 2.4=100 HE2 LYS 94 - QD PHE 93 far 3 66 5 - 4.9-9.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.99: * QE PHE 93 + QD PHE 93 OK 99 99 100 100 2.2-2.2 2.2=100 QE PHE 120 - QD PHE 93 far 0 99 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. 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 99 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.98: * HA TYR 102 + QD TYR 102 OK 98 100 100 98 3.1-3.7 3.7=91, 3.0/4697=57...(5) Violated in 5 structures by 0.01 A. 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 98 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 4553 from aronoe.peaks (2.75, 6.98, 132.43 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.99: * HB3 TYR 102 + QD TYR 102 OK 99 99 100 100 2.3-2.7 2.5=100 HG3 MET 42 - QD TYR 102 far 0 98 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QE TYR 102 + QD TYR 102 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 79 - QD TYR 102 far 0 100 0 - 6.2-7.0 QE TYR 76 - QD TYR 102 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 4556 from aronoe.peaks (6.98, 6.72, 118.20 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 102 + QE TYR 102 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 102 - QE TYR 76 far 0 94 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. 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): 1 out of 5 assignments used, quality = 0.96: * HA PHE 120 + QD PHE 120 OK 96 100 100 96 1.9-2.2 6944=81, 3.0/4700=35...(11) HA GLU 119 - QD PHE 120 far 0 99 0 - 4.9-5.6 HA LYS 123 - QD PHE 120 far 0 100 0 - 6.4-6.9 HB2 SER 126 - QD PHE 120 far 0 100 0 - 9.1-11.5 HB3 SER 126 - QD PHE 120 far 0 95 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. Peak 4560 from aronoe.peaks (2.34, 6.79, 129.64 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 120 + QD PHE 120 OK 100 100 100 100 2.3-2.8 2.4=100 HG3 GLU 112 - QD PHE 120 far 0 99 0 - 9.2-12.9 HG2 GLU 112 - QD PHE 120 far 0 98 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 4564 from aronoe.peaks (6.79, 7.14, 131.36 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 120 + QE PHE 120 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 27 - QE PHE 120 far 0 99 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 4568 from aronoe.peaks (7.14, 7.02, 129.44 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 120 + HZ PHE 120 OK 100 100 100 100 2.2-2.2 2.2=100 QE PHE 93 - HZ PHE 120 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 0.91: HB2 GLN 25 + QD TYR 27 OK 91 100 95 96 2.0-5.3 1.8/4578=58, ~4579=36...(12) HG3 GLU 128 - QD TYR 27 far 0 99 0 - 6.6-10.7 HG2 GLU 128 - QD TYR 27 far 0 99 0 - 7.7-10.7 HB2 MET 1 - QD TYR 27 far 0 90 0 - 9.4-13.0 Violated in 6 structures by 0.21 A. Peak 4572 from aronoe.peaks (3.74, 6.86, 132.04 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.97: HA ILE 71 + QD TYR 76 OK 97 97 100 100 3.2-5.0 3.2/9798=66, 9791=41...(18) Violated in 8 structures by 0.07 A. Peak 4573 from aronoe.peaks (2.19, 6.71, 118.08 ppm; 4.10 A): 1 out of 9 assignments used, quality = 0.63: HB2 GLN 100 + QE TYR 102 OK 63 65 100 98 2.0-3.7 1.8/4620=72, ~4687=52...(6) HB3 MET 1 - QE TYR 76 poor 19 99 30 62 3.5-9.3 3.0/4606=42, ~10720=28 HB2 GLU 69 - QE TYR 102 far 13 89 15 - 4.7-6.6 HB2 MET 42 - QE TYR 76 far 0 100 0 - 5.8-7.4 HG2 GLU 48 - QE TYR 76 far 0 96 0 - 6.7-11.5 HB2 GLU 98 - QE TYR 102 far 0 68 0 - 6.9-9.4 HB2 MET 67 - QE TYR 102 far 0 85 0 - 7.0-8.8 HB2 MET 42 - QE TYR 102 far 0 94 0 - 7.5-9.1 HG3 GLU 66 - QE TYR 102 far 0 89 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 4576 from aronoe.peaks (7.86, 6.79, 132.65 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.49: H TYR 27 + QD TYR 27 OK 49 70 100 71 2.4-4.2 4.4=62, 3.6/4577=18...(4) H SER 126 - QD TYR 27 far 0 100 0 - 9.7-11.7 Violated in 2 structures by 0.04 A. Peak 4577 from aronoe.peaks (4.13, 6.79, 132.65 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.99: HA VAL 22 + QD TYR 27 OK 94 99 95 100 3.8-6.1 11450/4571=71, 11116=65...(24) HA3 GLY 26 + QD TYR 27 OK 75 100 100 75 3.4-5.9 3.6/4576=67, 11446/4578=24 HA GLN 122 - QD TYR 27 far 0 97 0 - 7.5-9.6 HA MET 1 - QD TYR 27 far 0 92 0 - 7.7-13.3 HA ALA 124 - QD TYR 27 far 0 73 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 4578 from aronoe.peaks (2.82, 6.79, 132.65 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.89: HB3 GLN 25 + QD TYR 27 OK 89 94 95 100 2.0-5.8 1.8/4571=88, 4579/2.2=69...(13) HE2 LYS 77 - QD TYR 27 far 0 100 0 - 9.1-13.5 Violated in 2 structures by 0.09 A. Peak 4579 from aronoe.peaks (2.82, 6.58, 117.79 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.88: HB3 GLN 25 + QE TYR 27 OK 88 99 90 99 2.5-7.0 4578/2.2=70, ~4571=56...(11) HE2 LYS 77 - QE TYR 27 far 0 99 0 - 7.1-11.6 Violated in 5 structures by 0.25 A. Peak 4580 from aronoe.peaks (2.64, 6.58, 117.79 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.93: HE2 LYS 53 + QE TYR 27 OK 78 84 100 93 2.1-5.4 3.0/4593=57, 3.0/4592=36...(6) HG3 MET 121 + QE TYR 27 OK 71 73 100 96 2.3-5.5 1.8/4590=78...(9) Violated in 0 structures by 0.00 A. Peak 4581 from aronoe.peaks (2.38, 6.58, 117.79 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.87: HB3 TYR 27 + QE TYR 27 OK 83 97 100 85 4.4-4.5 4.4=74, 11433/4579=16...(8) HG2 GLN 25 + QE TYR 27 OK 24 99 25 97 3.7-8.6 3.0/4579=57, ~4571=37...(10) Violated in 16 structures by 0.24 A. Peak 4582 from aronoe.peaks (1.81, 6.79, 132.65 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.96: HG12 ILE 5 + QD TYR 27 OK 87 98 90 99 2.8-6.3 ~9056=43, ~9229=42...(19) QE MET 121 + QD TYR 27 OK 66 70 100 95 2.4-5.1 10582/2.2=31, ~4590=29...(18) HB ILE 3 - QD TYR 27 far 10 97 10 - 5.3-7.6 HB ILE 18 - QD TYR 27 far 0 96 0 - 7.3-10.7 HB2 ARG 118 - QD TYR 27 far 0 81 0 - 7.9-10.0 HB ILE 57 - QD TYR 27 far 0 92 0 - 9.6-11.3 Violated in 3 structures by 0.05 A. Peak 4583 from aronoe.peaks (1.32, 6.79, 132.65 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.97: HB3 LEU 55 + QD TYR 27 OK 97 99 100 98 1.9-3.9 3.1/4587=59, 9517=52...(11) Violated in 0 structures by 0.00 A. Peak 4584 from aronoe.peaks (1.10, 6.79, 132.65 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.66: HG2 LYS 53 + QD TYR 27 OK 66 70 95 99 3.0-5.9 1.8/4585=73, 2.8/4718=54...(13) HG2 LYS 19 - QD TYR 27 far 0 98 0 - 8.3-10.4 Violated in 15 structures by 0.38 A. Peak 4585 from aronoe.peaks (0.93, 6.79, 132.65 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.95: HG3 LYS 53 + QD TYR 27 OK 95 96 100 100 2.7-5.3 1.8/4584=80, 2.8/4718=57...(15) HG13 ILE 54 - QD TYR 27 far 4 73 5 - 5.7-7.6 Violated in 4 structures by 0.14 A. Peak 4586 from aronoe.peaks (0.85, 6.79, 132.65 ppm; 3.96 A): 3 out of 8 assignments used, quality = 1.00: QG2 VAL 22 + QD TYR 27 OK 100 100 100 100 2.6-5.4 10860/2.5=63...(20) HG13 ILE 5 + QD TYR 27 OK 93 98 95 99 2.9-5.5 1.8/4582=43, ~9056=42...(24) QG2 ILE 5 + QD TYR 27 OK 71 90 80 99 4.6-5.9 ~9056=33, ~9229=33...(23) QG2 ILE 57 - QD TYR 27 far 0 87 0 - 6.9-9.6 HG13 ILE 57 - QD TYR 27 far 0 97 0 - 6.9-9.0 QG2 VAL 117 - QD TYR 27 far 0 84 0 - 7.3-8.8 QG2 ILE 15 - QD TYR 27 far 0 99 0 - 8.0-11.0 QG2 THR 9 - QD TYR 27 far 0 90 0 - 9.5-11.7 Violated in 1 structures by 0.01 A. Peak 4587 from aronoe.peaks (0.73, 6.79, 132.65 ppm; 3.94 A): 1 out of 10 assignments used, quality = 0.88: QD2 LEU 55 + QD TYR 27 OK 88 92 100 96 1.9-4.6 3.1/4583=56, 3.1/9515=32...(15) QG1 VAL 117 - QD TYR 27 far 10 99 10 - 5.0-6.6 QG2 ILE 18 - QD TYR 27 far 5 96 5 - 4.7-7.3 QD1 ILE 57 - QD TYR 27 far 0 61 0 - 5.7-8.6 QG2 VAL 78 - QD TYR 27 far 0 100 0 - 6.7-8.5 QG2 ILE 7 - QD TYR 27 far 0 65 0 - 7.6-9.3 QD2 LEU 6 - QD TYR 27 far 0 94 0 - 7.6-9.9 QD2 LEU 45 - QD TYR 27 far 0 100 0 - 7.9-10.3 HG13 ILE 18 - QD TYR 27 far 0 100 0 - 8.1-10.8 QD1 LEU 6 - QD TYR 27 far 0 90 0 - 8.1-10.1 Violated in 13 structures by 0.14 A. Peak 4588 from aronoe.peaks (0.64, 6.79, 132.65 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 22 + QD TYR 27 OK 99 100 100 100 3.0-5.2 10868/2.5=45...(22) QD1 ILE 5 + QD TYR 27 OK 87 90 100 97 3.0-5.1 9056/2.2=54, 2.1/4582=37...(17) QD1 LEU 4 - QD TYR 27 poor 19 97 20 - 4.7-8.1 QD1 ILE 54 - QD TYR 27 far 15 100 15 - 4.9-7.6 QD1 ILE 71 - QD TYR 27 far 0 61 0 - 7.9-10.3 Violated in 9 structures by 0.11 A. Peak 4589 from aronoe.peaks (2.05, 6.58, 117.79 ppm; 3.90 A): 0 out of 4 assignments used, quality = 0.00: HB2 GLN 28 - QE TYR 27 far 0 84 0 - 5.6-9.3 HG3 GLU 52 - QE TYR 27 far 0 99 0 - 5.7-10.0 HB VAL 117 - QE TYR 27 far 0 100 0 - 7.1-9.3 HB2 MET 1 - QE TYR 27 far 0 61 0 - 8.0-11.8 Violated in 20 structures by 2.53 A. Peak 4590 from aronoe.peaks (1.93, 6.58, 117.79 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.72: HG2 MET 121 + QE TYR 27 OK 72 80 100 89 2.0-4.6 1.8/4580=36...(11) HB3 LYS 123 - QE TYR 27 far 0 69 0 - 8.0-9.6 HB2 LEU 127 - QE TYR 27 far 0 100 0 - 8.3-9.7 HB2 LYS 123 - QE TYR 27 far 0 100 0 - 8.5-10.0 HB2 LEU 81 - QE TYR 27 far 0 87 0 - 8.8-11.0 Violated in 3 structures by 0.03 A. Peak 4591 from aronoe.peaks (1.82, 6.58, 117.79 ppm; 3.88 A): 3 out of 7 assignments used, quality = 0.99: HG12 ILE 5 + QE TYR 27 OK 90 92 100 98 2.2-4.8 2.1/9229=62, 1.8/4596=38...(15) HB ILE 3 + QE TYR 27 OK 76 89 95 90 3.5-5.7 2.1/9017=61, 3.2/4595=47...(7) QE MET 121 + QE TYR 27 OK 74 84 95 93 1.9-5.4 3.4/4590=48, 4582/2.2=28...(14) HB2 ARG 118 - QE TYR 27 far 0 65 0 - 7.7-10.1 HB ILE 18 - QE TYR 27 far 0 99 0 - 8.1-12.2 HB ILE 57 - QE TYR 27 far 0 98 0 - 9.7-12.8 HB3 LYS 19 - QE TYR 27 far 0 69 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 4592 from aronoe.peaks (1.49, 6.58, 117.79 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.97: HD2 LYS 53 + QE TYR 27 OK 91 92 100 99 2.4-4.9 1.8/4593=70, 3.7/4719=44...(8) QB ALA 124 + QE TYR 27 OK 66 80 100 82 3.7-5.5 10618/4595=37...(6) HG2 ARG 30 - QE TYR 27 far 0 97 0 - 6.7-12.2 HB2 LEU 6 - QE TYR 27 far 0 65 0 - 8.1-10.9 HG3 ARG 118 - QE TYR 27 far 0 97 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 4593 from aronoe.peaks (1.26, 6.58, 117.79 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.97: HD3 LYS 53 + QE TYR 27 OK 97 98 100 99 2.3-3.9 3.7/4719=50, 1.8/4592=49...(9) HG13 ILE 7 - QE TYR 27 far 5 94 5 - 5.5-9.8 HG12 ILE 54 - QE TYR 27 far 0 84 0 - 6.3-9.3 HD2 LYS 2 - QE TYR 27 far 0 100 0 - 6.4-11.6 Violated in 0 structures by 0.00 A. Peak 4594 from aronoe.peaks (1.08, 6.58, 117.79 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: HG2 LYS 53 + QE TYR 27 OK 96 100 100 96 1.8-5.1 3.0/4593=44, ~4585=39...(11) QG2 ILE 3 + QE TYR 27 OK 94 97 100 97 2.4-4.1 9017=68, 3.0/4595=46...(13) HG2 LYS 2 - QE TYR 27 far 0 73 0 - 7.5-11.4 HG2 LYS 19 - QE TYR 27 far 0 80 0 - 9.8-12.3 Violated in 1 structures by 0.00 A. Peak 4595 from aronoe.peaks (0.96, 6.58, 117.79 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.66: QD1 ILE 3 + QE TYR 27 OK 66 89 85 87 5.3-6.3 3.0/9017=66...(5) HD3 LYS 2 - QE TYR 27 far 0 100 0 - 7.1-11.1 HG13 ILE 56 - QE TYR 27 far 0 100 0 - 8.0-11.2 Violated in 20 structures by 1.32 A. Peak 4596 from aronoe.peaks (0.84, 6.58, 117.79 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.99: HG13 ILE 5 + QE TYR 27 OK 95 98 100 97 2.0-4.5 2.1/9229=64, 1.8/9052=37...(15) QG2 ILE 5 + QE TYR 27 OK 89 100 95 94 3.2-5.8 3.0/9229=54, 3.2/9052=33...(13) QG2 VAL 22 - QE TYR 27 far 8 80 10 - 4.4-7.1 HG13 ILE 57 - QE TYR 27 far 0 61 0 - 6.9-10.5 QG2 ILE 57 - QE TYR 27 far 0 100 0 - 7.5-10.8 QG2 ILE 15 - QE TYR 27 far 0 97 0 - 8.6-12.4 Violated in 1 structures by 0.02 A. Peak 4598 from aronoe.peaks (0.64, 6.58, 117.79 ppm; 3.61 A): 2 out of 5 assignments used, quality = 0.93: QD1 ILE 5 + QE TYR 27 OK 87 89 100 97 2.0-4.4 9056=55, 2.1/4596=31...(17) QG1 VAL 22 + QE TYR 27 OK 46 100 50 92 3.8-6.2 4588/2.2=33...(15) QD1 LEU 4 - QE TYR 27 poor 5 97 25 22 3.7-7.6 9009/9017=11...(4) QD1 ILE 54 - QE TYR 27 far 5 100 5 - 5.0-8.5 QD1 ILE 71 - QE TYR 27 far 0 61 0 - 7.4-10.1 Violated in 1 structures by 0.00 A. Peak 4599 from aronoe.peaks (2.03, 7.13, 131.73 ppm; 4.29 A): 1 out of 6 assignments used, quality = 0.95: HB2 MET 1 + QD PHE 51 OK 95 100 100 95 2.5-4.2 10719=66, 3.0/10717=54...(4) HB3 GLU 48 - QD PHE 51 far 5 94 5 - 5.5-11.1 HG2 GLU 128 - QD PHE 51 far 3 69 5 - 5.5-11.8 HG3 GLU 52 - QD PHE 51 lone 0 84 35 1 2.5-7.8 HG3 GLU 128 - QD PHE 51 far 0 69 0 - 6.3-10.9 HB2 GLU 48 - QD PHE 51 far 0 94 0 - 6.7-11.7 Violated in 0 structures by 0.00 A. Peak 4603 from aronoe.peaks (0.75, 7.13, 131.73 ppm; 4.12 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 45 - QD PHE 51 far 5 100 5 - 5.5-8.7 QG2 ILE 54 - QD PHE 51 far 0 99 0 - 7.7-10.9 Violated in 20 structures by 2.87 A. Peak 4605 from aronoe.peaks (7.37, 6.86, 132.04 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.98: H TYR 76 + QD TYR 76 OK 98 98 100 100 2.7-3.1 1503=97, 1498/2.5=68...(9) Violated in 0 structures by 0.00 A. Peak 4606 from aronoe.peaks (4.12, 6.72, 118.20 ppm; 4.50 A): 1 out of 6 assignments used, quality = 0.35: HA MET 1 + QE TYR 76 OK 35 91 45 84 4.5-9.4 10720/2.2=57, 10715=52...(4) HB2 SER 72 - QE TYR 102 lone 3 100 100 3 1.9-3.8 11119/9873=2 HB3 SER 72 - QE TYR 102 lone 1 100 100 1 2.6-4.9 HB3 SER 72 - QE TYR 76 far 0 94 0 - 9.1-10.9 HB2 SER 72 - QE TYR 76 far 0 94 0 - 9.1-11.0 HA GLN 62 - QE TYR 102 far 0 65 0 - 9.6-11.0 Violated in 19 structures by 1.84 A. Peak 4607 from aronoe.peaks (2.75, 6.72, 118.20 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 102 + QE TYR 102 OK 99 100 100 99 4.4-4.5 4.4=95, ~4551=44...(8) HE2 LYS 2 + QE TYR 76 OK 90 91 100 98 2.0-5.5 3.0/4628=71, 3.0/4626=66...(9) HG3 MET 42 - QE TYR 102 far 0 95 0 - 7.3-10.7 HG3 MET 42 - QE TYR 76 far 0 87 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 4608 from aronoe.peaks (2.46, 6.72, 118.20 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.94: HB2 TYR 102 + QE TYR 102 OK 77 77 100 100 4.4-4.5 4.4=97, ~4551=44...(7) HG2 GLN 100 + QE TYR 102 OK 72 73 100 99 1.9-4.5 3.0/4620=72, 3.0/4619=72...(8) HG3 GLU 41 - QE TYR 76 far 0 94 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 4609 from aronoe.peaks (1.90, 6.86, 132.04 ppm; 4.24 A): 3 out of 12 assignments used, quality = 0.97: HB2 LEU 45 + QD TYR 76 OK 89 99 90 100 4.1-5.8 1.8/4611=87, 3.1/4618=68...(14) HB ILE 71 + QD TYR 76 OK 65 100 65 100 3.9-6.9 2.1/9798=70, 3.0/4572=54...(21) HG LEU 45 + QD TYR 76 OK 31 70 45 100 4.4-6.7 2.1/4618=83, 3.0/4611=69...(18) HB2 LYS 73 - QD TYR 76 far 0 99 0 - 7.3-9.2 HB3 LYS 73 - QD TYR 76 far 0 99 0 - 7.8-9.3 HB2 LYS 44 - QD TYR 76 far 0 87 0 - 8.0-11.5 QE MET 67 - QD TYR 76 far 0 61 0 - 8.5-9.6 HB3 LYS 44 - QD TYR 76 far 0 97 0 - 8.7-11.2 HB2 LYS 49 - QD TYR 76 far 0 100 0 - 9.3-13.7 HB2 LYS 43 - QD TYR 76 far 0 96 0 - 9.7-10.9 HB3 LYS 43 - QD TYR 76 far 0 100 0 - 9.8-11.2 HB2 GLU 128 - QD TYR 76 far 0 100 0 - 9.9-12.6 Violated in 3 structures by 0.07 A. Peak 4610 from aronoe.peaks (1.72, 6.86, 132.04 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.75: HG LEU 74 + QD TYR 76 OK 75 77 100 98 3.5-5.6 ~9818=51, 2.1/9817=45...(12) HD2 LYS 44 - QD TYR 76 far 0 65 0 - 7.0-12.8 HD3 LYS 44 - QD TYR 76 far 0 73 0 - 8.3-13.3 Violated in 17 structures by 0.54 A. Peak 4611 from aronoe.peaks (1.49, 6.86, 132.04 ppm; 3.79 A): 1 out of 6 assignments used, quality = 0.39: HB3 LEU 45 + QD TYR 76 OK 39 100 40 99 3.8-6.2 4623/2.2=64, 3.1/4618=56...(15) HG3 LYS 73 - QD TYR 76 far 0 90 0 - 6.2-10.0 QB ALA 124 - QD TYR 76 far 0 77 0 - 7.5-8.2 HB2 LEU 6 - QD TYR 76 far 0 61 0 - 8.4-9.3 HD2 LYS 53 - QD TYR 76 far 0 94 0 - 9.7-12.6 HG2 ARG 30 - QD TYR 76 far 0 96 0 - 9.9-11.9 Violated in 20 structures by 1.47 A. Peak 4612 from aronoe.peaks (1.45, 6.86, 132.04 ppm; 3.93 A): 3 out of 9 assignments used, quality = 0.99: HB2 LEU 4 + QD TYR 76 OK 94 94 100 100 3.8-5.0 3.1/9037=59, 3.1/9039=52...(24) HG LEU 4 + QD TYR 76 OK 69 99 70 100 2.8-5.7 2.1/9037=73, 2.1/9039=62...(23) HB3 LEU 4 + QD TYR 76 OK 37 94 40 100 5.1-6.0 3.1/9037=59, 3.1/9039=52...(24) HG12 ILE 56 - QD TYR 76 far 0 61 0 - 7.0-9.2 HG2 LYS 49 - QD TYR 76 far 0 87 0 - 8.0-13.4 HG3 LYS 44 - QD TYR 76 far 0 96 0 - 8.3-11.6 HG3 LYS 49 - QD TYR 76 far 0 87 0 - 9.5-14.0 HG3 ARG 30 - QD TYR 76 far 0 98 0 - 10.0-13.2 HB3 LEU 6 - QD TYR 76 far 0 87 0 - 10.0-10.9 Violated in 7 structures by 0.06 A. Peak 4613 from aronoe.peaks (1.23, 6.86, 132.04 ppm; 4.17 A): 0 out of 1 assignment used, quality = 0.00: HG13 ILE 3 - QD TYR 76 poor 16 100 35 47 5.1-8.9 10192/2.2=21...(4) Violated in 20 structures by 3.10 A. Peak 4614 from aronoe.peaks (1.04, 6.86, 132.04 ppm; 4.05 A): 2 out of 2 assignments used, quality = 0.87: HG3 LYS 2 + QD TYR 76 OK 84 99 90 94 3.0-6.3 4627/2.2=74, ~4628=36...(5) HG13 ILE 71 + QD TYR 76 OK 22 65 35 97 4.0-6.7 3.2/9798=52, 3.9/4572=41...(17) Violated in 6 structures by 0.19 A. Peak 4615 from aronoe.peaks (0.95, 6.86, 132.04 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.95: HD3 LYS 2 + QD TYR 76 OK 91 92 100 100 2.6-6.0 4628/2.2=88, ~4626=61...(8) QD1 ILE 3 + QD TYR 76 OK 44 61 80 90 4.8-6.4 2.1/4613=85, ~10192=24 HG13 ILE 56 - QD TYR 76 far 0 96 0 - 7.3-10.6 QD2 LEU 127 - QD TYR 76 far 0 61 0 - 8.2-9.9 HG3 LYS 53 - QD TYR 76 far 0 77 0 - 8.3-11.9 QD1 LEU 38 - QD TYR 76 far 0 87 0 - 9.6-10.8 Violated in 4 structures by 0.07 A. Peak 4616 from aronoe.peaks (0.82, 6.86, 132.04 ppm; 3.36 A): 3 out of 3 assignments used, quality = 1.00: QG2 ILE 71 + QD TYR 76 OK 97 100 100 97 1.7-4.2 9798=55, 9786/2.5=37...(17) QD1 LEU 74 + QD TYR 76 OK 93 100 100 94 2.4-4.5 9818/2.2=42, 2.1/4610=39...(16) QD2 LEU 74 + QD TYR 76 OK 56 100 60 93 3.5-5.2 2.1/4610=39, ~9818=27...(15) Violated in 0 structures by 0.00 A. Peak 4617 from aronoe.peaks (0.66, 6.86, 132.04 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.85: QD1 LEU 4 + QD TYR 76 OK 72 73 100 98 1.9-3.5 9037=49, 2.1/9039=47...(20) QD1 ILE 71 + QD TYR 76 OK 46 99 50 92 3.8-5.6 3.3/9798=38, 4.2/4572=28...(21) QD1 ILE 56 - QD TYR 76 far 0 100 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 4618 from aronoe.peaks (0.77, 6.86, 132.04 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.79: QD1 LEU 45 + QD TYR 76 OK 79 81 100 98 2.0-3.9 3.1/4611=54, 9445/2.2=37...(15) QD2 LEU 80 - QD TYR 76 far 0 96 0 - 8.7-12.8 QD2 LEU 64 - QD TYR 76 far 0 77 0 - 9.2-12.8 QD1 LEU 80 - QD TYR 76 far 0 97 0 - 9.9-12.7 Violated in 1 structures by 0.01 A. Peak 4619 from aronoe.peaks (2.23, 6.72, 118.20 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.72: HB2 GLN 100 + QE TYR 102 OK 72 73 100 99 2.0-3.7 1.8/4620=75, 4686/2.2=65...(6) Violated in 0 structures by 0.00 A. Peak 4620 from aronoe.peaks (2.05, 6.72, 118.20 ppm; 3.85 A): 1 out of 10 assignments used, quality = 0.98: HB3 GLN 100 + QE TYR 102 OK 98 99 100 98 1.8-3.5 1.8/4619=74, 4687/2.2=63...(6) HB3 GLU 98 - QE TYR 102 far 0 100 0 - 6.4-9.1 HB2 GLU 48 - QE TYR 76 far 0 77 0 - 6.5-10.7 HG3 GLU 52 - QE TYR 76 far 0 87 0 - 7.3-11.6 HB3 GLU 48 - QE TYR 76 far 0 77 0 - 7.3-10.6 HB3 MET 67 - QE TYR 102 far 0 100 0 - 7.3-8.4 HB3 MET 67 - QE TYR 76 far 0 93 0 - 9.0-12.4 HB2 GLU 66 - QE TYR 102 far 0 87 0 - 9.2-9.8 HB2 GLU 47 - QE TYR 76 far 0 92 0 - 9.6-11.3 HB2 LYS 94 - QE TYR 102 far 0 65 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 4621 from aronoe.peaks (1.90, 6.72, 118.20 ppm; 3.92 A): 3 out of 18 assignments used, quality = 0.99: HB2 LEU 45 + QE TYR 76 OK 84 85 100 99 2.4-3.8 1.8/4623=81, ~4611=48...(11) HB ILE 71 + QE TYR 102 OK 80 100 95 84 1.8-5.5 3.2/10197=23...(8) HG LEU 45 + QE TYR 76 OK 70 74 95 99 3.7-5.5 3.0/4623=63, 2.1/9445=46...(15) HB2 LYS 96 - QE TYR 102 far 0 98 0 - 5.6-8.3 HB ILE 71 - QE TYR 76 far 0 94 0 - 5.9-8.7 HB3 LYS 73 - QE TYR 102 far 0 100 0 - 6.9-9.5 HB2 LYS 44 - QE TYR 76 far 0 64 0 - 7.2-10.1 HB2 LYS 49 - QE TYR 76 far 0 92 0 - 7.3-11.6 QE MET 67 - QE TYR 102 far 0 77 0 - 7.4-8.7 HB2 LYS 73 - QE TYR 76 far 0 94 0 - 7.5-9.8 HB3 LYS 44 - QE TYR 76 far 0 80 0 - 7.7-9.9 HB2 LYS 73 - QE TYR 102 far 0 100 0 - 7.7-8.7 HB3 LYS 73 - QE TYR 76 far 0 94 0 - 8.4-9.8 HB3 LYS 43 - QE TYR 76 far 0 90 0 - 8.8-10.1 HB2 LYS 43 - QE TYR 76 far 0 77 0 - 9.1-10.2 QE MET 67 - QE TYR 76 far 0 68 0 - 9.2-10.6 HG2 ARG 95 - QE TYR 102 far 0 61 0 - 9.3-12.8 HB2 ARG 95 - QE TYR 102 far 0 100 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 4622 from aronoe.peaks (1.71, 6.72, 118.20 ppm; 4.32 A): 2 out of 8 assignments used, quality = 0.94: HG LEU 74 + QE TYR 76 OK 81 93 90 97 2.3-6.1 2.1/9818=70, 4610/2.2=49...(8) HG12 ILE 71 + QE TYR 102 OK 66 84 95 83 3.4-6.3 2.1/10197=34...(6) HD2 LYS 44 - QE TYR 76 far 5 90 5 - 5.8-11.7 HD3 LYS 44 - QE TYR 76 far 0 92 0 - 6.8-12.3 HG LEU 74 - QE TYR 102 far 0 100 0 - 6.9-10.0 HG12 ILE 71 - QE TYR 76 far 0 74 0 - 7.2-9.0 HB ILE 56 - QE TYR 102 far 0 65 0 - 9.2-10.9 HB ILE 56 - QE TYR 76 far 0 57 0 - 9.3-11.4 Violated in 1 structures by 0.05 A. Peak 4623 from aronoe.peaks (1.50, 6.72, 118.20 ppm; 3.68 A): 1 out of 9 assignments used, quality = 0.78: HB3 LEU 45 + QE TYR 76 OK 78 80 100 97 1.9-4.3 4611/2.2=58, 9443=34...(10) HB2 LEU 6 - QE TYR 102 far 0 89 0 - 5.9-7.0 HG3 LYS 73 - QE TYR 76 far 0 53 0 - 6.3-10.6 HG3 LYS 73 - QE TYR 102 far 0 61 0 - 6.9-9.7 HG2 LYS 43 - QE TYR 76 far 0 64 0 - 8.7-10.0 QB ALA 124 - QE TYR 76 far 0 89 0 - 8.7-9.5 HB2 LYS 61 - QE TYR 102 far 0 57 0 - 9.5-12.7 HD2 LYS 53 - QE TYR 76 far 0 61 0 - 9.5-13.2 QB ALA 124 - QE TYR 102 far 0 97 0 - 9.7-10.6 Violated in 10 structures by 0.13 A. Peak 4624 from aronoe.peaks (1.43, 6.72, 118.20 ppm; 3.99 A): 0 out of 10 assignments used, quality = 0.00: HG LEU 80 - QE TYR 102 poor 15 77 20 - 4.3-8.4 HB2 LEU 4 - QE TYR 76 far 4 80 5 - 5.4-7.0 HB3 LEU 4 - QE TYR 76 far 0 80 0 - 6.5-7.7 HB2 LEU 4 - QE TYR 102 far 0 89 0 - 7.1-8.6 HG3 LYS 44 - QE TYR 76 far 0 77 0 - 7.5-10.7 HG2 LYS 96 - QE TYR 102 far 0 80 0 - 7.6-10.3 HB3 LEU 4 - QE TYR 102 far 0 89 0 - 7.8-9.4 HG12 ILE 56 - QE TYR 76 far 0 94 0 - 7.8-10.4 HG12 ILE 56 - QE TYR 102 far 0 100 0 - 9.7-10.5 HB3 LYS 61 - QE TYR 102 far 0 98 0 - 10.0-12.8 Violated in 20 structures by 1.15 A. Peak 4625 from aronoe.peaks (1.56, 6.72, 118.20 ppm; 3.80 A): 1 out of 9 assignments used, quality = 0.96: HB VAL 78 + QE TYR 102 OK 96 100 100 97 3.5-4.9 9872/2.2=52, ~4694=41...(11) QB ALA 46 - QE TYR 76 poor 11 83 35 37 4.7-6.2 9461/9818=20, 9452=17 HG2 LYS 65 - QE TYR 102 far 0 89 0 - 6.4-8.1 HB3 LEU 70 - QE TYR 102 far 0 92 0 - 6.6-8.4 HG12 ILE 3 - QE TYR 76 far 0 94 0 - 6.6-8.7 HG3 LYS 96 - QE TYR 102 far 0 92 0 - 7.3-10.4 HB3 LEU 70 - QE TYR 76 far 0 83 0 - 7.6-9.4 HB VAL 78 - QE TYR 76 far 0 93 0 - 8.2-9.1 HD2 LYS 106 - QE TYR 102 far 0 100 0 - 9.5-17.0 Violated in 17 structures by 0.37 A. Peak 4626 from aronoe.peaks (1.25, 6.72, 118.20 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.63: HD2 LYS 2 + QE TYR 76 OK 63 64 100 98 2.6-5.1 1.8/4628=83, 2.9/4627=68...(8) HG12 ILE 54 - QE TYR 76 far 0 92 0 - 5.8-10.7 Violated in 9 structures by 0.26 A. Peak 4627 from aronoe.peaks (1.04, 6.72, 118.20 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.79: HG3 LYS 2 + QE TYR 76 OK 79 85 100 93 2.7-4.9 2.9/4628=57, 2.9/4626=52...(5) HB2 PHE 79 - QE TYR 102 far 0 100 0 - 8.6-9.6 Violated in 11 structures by 0.22 A. Peak 4628 from aronoe.peaks (0.95, 6.72, 118.20 ppm; 3.87 A): 1 out of 7 assignments used, quality = 0.67: HD3 LYS 2 + QE TYR 76 OK 67 71 100 95 2.0-4.6 1.8/4626=67, 2.9/4627=59...(6) QG1 VAL 104 - QE TYR 102 far 0 69 0 - 5.6-8.7 HG13 ILE 56 - QE TYR 76 far 0 77 0 - 7.8-11.7 QD1 LEU 38 - QE TYR 102 far 0 73 0 - 8.1-8.7 HG3 LYS 53 - QE TYR 76 far 0 80 0 - 8.5-12.4 QD2 LEU 127 - QE TYR 76 far 0 68 0 - 9.3-11.0 HG13 ILE 56 - QE TYR 102 far 0 87 0 - 9.5-11.3 Violated in 8 structures by 0.13 A. Peak 4629 from aronoe.peaks (0.82, 6.72, 118.20 ppm; 3.07 A): 4 out of 9 assignments used, quality = 0.94: QD1 LEU 74 + QE TYR 76 OK 70 89 100 79 2.2-4.0 9818=33, ~4610=21...(12) QD2 LEU 74 + QE TYR 76 OK 51 91 70 79 2.7-5.2 2.1/9818=33, ~4610=21...(11) QG2 ILE 71 + QE TYR 76 OK 43 89 55 88 3.5-5.9 9798/2.2=40, 9786/4.4=19...(18) QG2 ILE 71 + QE TYR 102 OK 28 97 45 64 2.7-6.3 9775/4633=21...(8) QD1 LEU 64 - QE TYR 102 far 0 92 0 - 5.0-7.3 QD1 LEU 74 - QE TYR 102 far 0 97 0 - 5.8-9.6 QD2 LEU 74 - QE TYR 102 far 0 99 0 - 7.0-9.4 QD2 LEU 82 - QE TYR 102 far 0 100 0 - 7.1-10.7 QG2 ILE 5 - QE TYR 102 far 0 69 0 - 8.5-9.2 Violated in 4 structures by 0.01 A. Peak 4630 from aronoe.peaks (0.69, 6.72, 118.20 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 97 + QE TYR 102 OK 95 98 100 97 1.9-3.8 4693/2.2=63, 10150=31...(13) QD2 LEU 4 + QE TYR 76 OK 62 83 80 94 3.3-5.4 2.1/4631=43, 9039/2.2=37...(14) QD2 LEU 4 - QE TYR 102 far 0 92 0 - 6.8-9.5 QG2 ILE 56 - QE TYR 102 far 0 98 0 - 7.6-9.0 QG2 ILE 56 - QE TYR 76 far 0 90 0 - 7.8-10.4 QD1 LEU 55 - QE TYR 102 far 0 99 0 - 9.8-12.4 QD1 LEU 55 - QE TYR 76 far 0 92 0 - 9.9-12.3 Violated in 3 structures by 0.01 A. Peak 4631 from aronoe.peaks (0.64, 6.72, 118.20 ppm; 3.37 A): 2 out of 9 assignments used, quality = 0.95: QD1 LEU 4 + QE TYR 76 OK 90 94 100 96 2.9-4.6 9037/2.2=54, 2.1/9040=29...(16) QD1 ILE 71 + QE TYR 102 OK 44 87 90 57 3.0-5.1 2.1/4622=20, 3.2/4621=14...(7) QD1 ILE 71 - QE TYR 76 far 0 77 0 - 5.3-7.3 QD1 ILE 54 - QE TYR 76 far 0 89 0 - 5.8-8.7 QD1 LEU 4 - QE TYR 102 far 0 100 0 - 6.4-9.4 QD1 ILE 56 - QE TYR 76 far 0 53 0 - 7.4-9.8 QD1 ILE 56 - QE TYR 102 far 0 61 0 - 7.9-10.4 QD1 ILE 5 - QE TYR 102 far 0 65 0 - 8.4-10.8 QD1 ILE 5 - QE TYR 76 far 0 57 0 - 8.7-11.2 Violated in 10 structures by 0.19 A. Peak 4632 from aronoe.peaks (0.52, 6.72, 118.20 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 68 + QE TYR 102 OK 94 94 100 100 2.6-3.5 2.1/4633=82, 4695/2.2=64...(13) Violated in 0 structures by 0.00 A. Peak 4633 from aronoe.peaks (0.39, 6.72, 118.20 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 68 + QE TYR 102 OK 97 98 100 99 2.2-3.1 4696/2.2=66, 2.1/4632=57...(17) QD2 LEU 68 - QE TYR 76 far 0 90 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 4634 from aronoe.peaks (5.17, 6.72, 131.81 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.94: HA VAL 78 + QD PHE 79 OK 94 97 100 97 2.7-3.1 491/4636=68, 3.2/4648=50...(12) HA ILE 7 - QD PHE 79 far 0 96 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 4635 from aronoe.peaks (4.83, 6.72, 131.81 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 5 + QD PHE 79 OK 100 100 100 100 2.9-3.4 9894/4636=57...(15) HA ILE 3 + QD PHE 79 OK 37 94 40 98 5.3-6.6 3.2/4662=80, ~4658=44...(10) Violated in 0 structures by 0.00 A. Peak 4636 from aronoe.peaks (8.38, 6.72, 131.81 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.97: H PHE 79 + QD PHE 79 OK 97 100 100 97 2.0-2.3 1526=83, 491/4634=47...(9) Violated in 0 structures by 0.00 A. Peak 4638 from aronoe.peaks (4.15, 7.10, 130.14 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.99: HA ALA 124 + QE PHE 79 OK 99 99 100 100 3.1-3.8 10625=88, 2.1/10629=85...(16) HA GLN 122 - QE PHE 79 far 0 81 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 4639 from aronoe.peaks (4.15, 6.99, 128.17 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 124 + HZ PHE 79 OK 100 100 100 100 2.4-3.5 10624=93, 2.1/4665=81...(16) HA GLN 122 - HZ PHE 79 far 0 90 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 4640 from aronoe.peaks (2.35, 6.72, 131.81 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.80: HB3 PHE 120 + QD PHE 79 OK 80 92 100 88 2.7-4.1 4.4/4723=44, ~4702=32...(11) HB3 TYR 27 - QD PHE 79 far 0 61 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 4641 from aronoe.peaks (2.28, 6.72, 131.81 ppm; 4.26 A): 0 out of 1 assignment used, quality = 0.00: HB2 MET 121 - QD PHE 79 far 0 96 0 - 7.4-8.2 Violated in 20 structures by 3.52 A. Peak 4644 from aronoe.peaks (1.96, 6.72, 131.81 ppm; 4.08 A): 0 out of 2 assignments used, quality = 0.00: HB VAL 104 - QD PHE 79 far 0 73 0 - 7.6-9.6 HB3 GLU 128 - QD PHE 79 far 0 96 0 - 8.7-12.3 Violated in 20 structures by 4.17 A. Peak 4645 from aronoe.peaks (1.80, 6.72, 131.81 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: HG12 ILE 5 + QD PHE 79 OK 100 100 100 100 2.6-5.2 1.8/9053=57, 2.1/9055=50...(22) HB3 ARG 105 - QD PHE 79 poor 17 87 20 - 5.2-7.3 HG2 ARG 105 - QD PHE 79 far 0 100 0 - 5.7-8.1 HB ILE 3 - QD PHE 79 far 0 100 0 - 5.9-7.4 HB ILE 97 - QD PHE 79 far 0 99 0 - 9.2-10.8 HB2 ARG 118 - QD PHE 79 far 0 99 0 - 9.8-10.4 Violated in 15 structures by 0.41 A. Peak 4646 from aronoe.peaks (1.51, 6.72, 131.81 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.94: QB ALA 124 + QD PHE 79 OK 94 94 100 100 3.4-3.9 9006/4662=72...(14) HB2 LEU 6 - QD PHE 79 far 0 99 0 - 5.9-6.6 HG LEU 6 - QD PHE 79 far 0 97 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 4647 from aronoe.peaks (0.84, 6.72, 131.81 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 5 + QD PHE 79 OK 100 100 100 100 2.9-4.5 3.2/4645=44, 9905/2.4=34...(28) HG13 ILE 5 + QD PHE 79 OK 99 100 100 99 3.1-5.1 1.8/4645=58, 9053=38...(25) QG2 ILE 57 - QD PHE 79 far 0 100 0 - 8.4-11.5 QG2 VAL 22 - QD PHE 79 far 0 90 0 - 8.8-11.0 QD2 LEU 82 - QD PHE 79 far 0 65 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 4648 from aronoe.peaks (0.73, 6.72, 131.81 ppm; 4.39 A): 1 out of 8 assignments used, quality = 0.98: QG2 VAL 78 + QD PHE 79 OK 98 99 100 98 4.5-4.7 3.2/4634=62, 4.1/4636=57...(13) QG1 VAL 117 - QD PHE 79 poor 16 96 70 24 5.1-6.3 10510/4645=13...(4) QD2 LEU 55 - QD PHE 79 far 5 97 5 - 5.8-9.2 QD2 LEU 6 - QD PHE 79 far 0 98 0 - 6.6-7.3 QD1 LEU 6 - QD PHE 79 far 0 81 0 - 7.2-7.7 QG2 ILE 7 - QD PHE 79 far 0 77 0 - 7.6-8.4 QG2 ILE 18 - QD PHE 79 far 0 90 0 - 8.2-9.4 QG2 ILE 54 - QD PHE 79 far 0 70 0 - 8.4-10.0 Violated in 20 structures by 0.23 A. Peak 4649 from aronoe.peaks (0.63, 6.72, 131.81 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: QD1 ILE 5 + QD PHE 79 OK 100 100 100 100 1.9-4.3 10740/2.4=62...(26) QG1 VAL 78 + QD PHE 79 OK 85 87 100 98 3.5-4.1 2.1/4648=49, 3.2/4634=48...(18) QD1 LEU 4 - QD PHE 79 far 0 77 0 - 6.1-7.6 QG1 VAL 22 - QD PHE 79 far 0 90 0 - 7.4-9.0 QD1 ILE 18 - QD PHE 79 far 0 81 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 4650 from aronoe.peaks (2.08, 7.10, 130.14 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: HB3 PHE 79 + QE PHE 79 OK 99 99 100 100 4.4-4.4 4.4=100 HB2 GLU 103 + QE PHE 79 OK 88 97 95 96 3.8-6.3 10206/2.2=66, ~10212=46...(6) HB3 MET 121 - QE PHE 79 far 0 100 0 - 7.0-7.6 HG2 GLU 119 - QE PHE 79 far 0 99 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 4651 from aronoe.peaks (1.93, 7.10, 130.14 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.95: HB2 LYS 123 + QE PHE 79 OK 95 100 100 95 2.9-3.7 7083/11210=52...(8) HB2 LEU 127 - QE PHE 79 far 5 100 5 - 4.8-7.0 HG2 MET 121 - QE PHE 79 far 0 70 0 - 6.4-7.6 HB2 LEU 81 - QE PHE 79 far 0 77 0 - 8.1-9.7 HB VAL 104 - QE PHE 79 far 0 87 0 - 9.2-11.2 HB3 GLU 52 - QE PHE 79 far 0 65 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 4652 from aronoe.peaks (1.84, 7.10, 130.14 ppm; 3.77 A): 4 out of 6 assignments used, quality = 1.00: HD2 LYS 123 + QE PHE 79 OK 97 100 100 97 2.1-3.1 1.8/4653=63...(7) HB3 LYS 77 + QE PHE 79 OK 91 100 100 91 3.6-5.2 3.0/4656=47, 3.0/9847=28...(11) HG LEU 127 + QE PHE 79 OK 54 81 70 95 4.4-5.7 2.1/10830=54, ~4666=39...(13) HB2 LYS 77 + QE PHE 79 OK 27 100 30 90 5.1-6.0 3.0/4656=47, 3.0/9847=28...(9) QE MET 121 - QE PHE 79 far 0 81 0 - 6.3-8.1 HB2 ARG 105 - QE PHE 79 far 0 84 0 - 7.9-10.6 Violated in 0 structures by 0.00 A. Peak 4653 from aronoe.peaks (1.74, 7.10, 130.14 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.86: HD3 LYS 123 + QE PHE 79 OK 86 90 100 96 3.8-4.6 1.8/11210=63...(5) HB2 LEU 80 - QE PHE 79 far 0 73 0 - 7.9-8.6 HG3 ARG 105 - QE PHE 79 far 0 77 0 - 8.2-10.8 HG2 ARG 118 - QE PHE 79 far 0 96 0 - 9.6-11.4 Violated in 11 structures by 0.12 A. Peak 4654 from aronoe.peaks (1.60, 7.10, 130.14 ppm; 4.09 A): 0 out of 1 assignment used, quality = 0.00: HB3 LEU 127 - QE PHE 79 far 0 92 0 - 5.8-8.0 Violated in 20 structures by 3.10 A. Peak 4655 from aronoe.peaks (1.49, 7.10, 130.14 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.89: QB ALA 124 + QE PHE 79 OK 89 90 100 100 1.8-2.0 10629=85, 2.1/4638=58...(14) HB2 LEU 6 - QE PHE 79 far 0 77 0 - 7.9-8.5 HD2 LYS 53 - QE PHE 79 far 0 84 0 - 8.7-12.7 HG3 ARG 118 - QE PHE 79 far 0 92 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 4656 from aronoe.peaks (1.37, 7.10, 130.14 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.72: HG2 LYS 77 + QE PHE 79 OK 72 73 100 99 3.0-5.2 3.7/10808=47...(15) HB3 LEU 81 - QE PHE 79 far 0 77 0 - 8.5-10.0 Violated in 10 structures by 0.22 A. Peak 4657 from aronoe.peaks (1.19, 7.10, 130.14 ppm; 4.35 A): 0 out of 0 assignments used, quality = 0.00: Peak 4658 from aronoe.peaks (1.08, 7.10, 130.14 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 3 + QE PHE 79 OK 100 100 100 100 2.1-3.5 9021=91, 4662/2.2=69...(15) HG2 LYS 53 - QE PHE 79 far 0 90 0 - 6.8-12.4 HG2 LYS 2 - QE PHE 79 far 0 96 0 - 9.2-11.6 Violated in 1 structures by 0.00 A. Peak 4659 from aronoe.peaks (0.97, 7.10, 130.14 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 3 + QE PHE 79 OK 99 99 100 100 2.5-3.5 9026=97, 3.0/4658=63...(17) HD3 LYS 2 - QE PHE 79 far 0 81 0 - 8.3-12.5 Violated in 0 structures by 0.00 A. Peak 4660 from aronoe.peaks (0.83, 7.10, 130.14 ppm; 4.56 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 5 + QE PHE 79 OK 98 98 100 100 4.6-6.0 9050/2.2=61, ~9055=42...(17) HG13 ILE 5 + QE PHE 79 OK 80 90 90 100 4.3-6.1 ~4645=58, 9053/2.2=54...(16) QG2 ILE 71 - QE PHE 79 far 0 65 0 - 6.8-8.8 QG2 VAL 22 - QE PHE 79 far 0 61 0 - 9.7-11.9 QG2 ILE 57 - QE PHE 79 far 0 99 0 - 9.9-13.1 Violated in 3 structures by 0.01 A. Peak 4661 from aronoe.peaks (0.63, 7.10, 130.14 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 5 + QE PHE 79 OK 100 100 100 100 2.7-5.0 9055/2.2=75...(17) QG1 VAL 78 + QE PHE 79 OK 83 87 100 96 5.1-5.7 ~4648=44, ~4634=40...(12) QD1 LEU 4 - QE PHE 79 far 0 77 0 - 6.1-8.4 QG1 VAL 22 - QE PHE 79 far 0 90 0 - 8.1-9.9 Violated in 2 structures by 0.01 A. Peak 4662 from aronoe.peaks (1.08, 6.72, 131.81 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.98: QG2 ILE 3 + QD PHE 79 OK 98 100 100 99 3.1-4.2 4658/2.2=58, 9018=55...(20) HG2 LYS 53 - QD PHE 79 far 0 97 0 - 7.7-12.8 HG2 LYS 2 - QD PHE 79 far 0 87 0 - 9.3-12.3 Violated in 7 structures by 0.18 A. Peak 4663 from aronoe.peaks (1.96, 6.99, 128.17 ppm; 4.03 A): 0 out of 1 assignment used, quality = 0.00: HB3 GLU 128 - HZ PHE 79 far 0 96 0 - 8.1-11.0 Violated in 20 structures by 6.04 A. Peak 4664 from aronoe.peaks (1.87, 6.99, 128.17 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.88: HG LEU 127 + HZ PHE 79 OK 88 94 100 94 3.7-5.5 2.1/4666=77, ~10830=43...(10) Violated in 19 structures by 0.43 A. Peak 4665 from aronoe.peaks (1.50, 6.99, 128.17 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 124 + HZ PHE 79 OK 100 100 100 100 2.1-3.4 10629/2.2=77...(12) Violated in 0 structures by 0.00 A. Peak 4666 from aronoe.peaks (1.02, 6.99, 128.17 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 127 + HZ PHE 79 OK 93 94 100 99 2.1-5.0 2.1/4664=64, 10831=57...(15) Violated in 7 structures by 0.15 A. Peak 4667 from aronoe.peaks (0.79, 7.22, 131.52 ppm; 3.77 A): 4 out of 6 assignments used, quality = 0.99: QD1 LEU 82 + QD PHE 93 OK 91 93 100 99 1.8-3.4 11398=57, 2.1/9983=56...(13) QD2 LEU 80 + QD PHE 93 OK 61 89 85 80 3.0-5.8 9938=28, 9923/11312=23...(12) QD1 LEU 80 + QD PHE 93 OK 52 86 75 80 3.2-5.8 2.1/9938=31...(12) QD2 LEU 64 + QD PHE 93 OK 36 98 40 93 4.0-6.8 9693/2.2=60, ~9692=36...(13) QD1 LEU 81 - QD PHE 93 far 0 98 0 - 8.3-9.4 QD1 ILE 7 - QD PHE 93 far 0 58 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 4668 from aronoe.peaks (0.88, 7.22, 131.52 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.95: QG2 VAL 104 + QD PHE 93 OK 87 99 100 88 2.9-5.2 ~10235=36, 11091/9938=36...(8) QD2 LEU 90 + QD PHE 93 OK 61 98 90 68 4.3-6.1 10073=33, 10089/2.4=24...(6) QD1 LEU 90 - QD PHE 93 poor 18 58 50 62 2.8-7.7 2.1/10073=29, ~10089=17...(6) QG2 VAL 107 - QD PHE 93 far 0 70 0 - 8.8-10.8 Violated in 4 structures by 0.04 A. Peak 4672 from aronoe.peaks (1.94, 7.14, 130.55 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 65 + QE PHE 93 OK 97 100 100 97 2.7-5.7 2.9/4676=57, 4681/2.2=34...(12) HB3 LYS 65 + QE PHE 93 OK 97 100 100 97 3.5-5.6 2.9/4676=57, ~10463=31...(12) HB VAL 104 - QE PHE 93 far 5 92 5 - 5.7-8.8 HB2 LEU 81 - QE PHE 93 far 0 70 0 - 8.2-10.2 Violated in 14 structures by 0.25 A. Peak 4673 from aronoe.peaks (1.80, 7.14, 130.55 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 64 + QE PHE 93 OK 93 94 100 99 4.3-6.0 3.1/9693=72, 3.1/9692=45...(15) HB ILE 97 + QE PHE 93 OK 91 92 100 99 3.8-5.7 2.9/4678=73, 3.2/4742=64...(9) HB3 ARG 105 - QE PHE 93 far 0 65 0 - 9.0-11.4 Violated in 9 structures by 0.05 A. Peak 4674 from aronoe.peaks (1.62, 7.14, 130.55 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.97: HB3 LEU 64 + QE PHE 93 OK 85 87 100 98 3.8-5.5 3.1/9693=66, 4682/2.2=42...(14) HG LEU 82 + QE PHE 93 OK 60 61 100 97 3.3-5.0 ~11398=49, ~9983=49...(9) HB2 LEU 82 + QE PHE 93 OK 56 99 60 94 3.1-6.8 ~11398=39, ~9983=38...(10) HG LEU 63 - QE PHE 93 far 0 100 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 4675 from aronoe.peaks (1.50, 7.14, 130.55 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.67: HB2 LYS 61 + QE PHE 93 OK 67 81 100 83 2.0-5.1 3.7/4677=63, ~9656=32...(4) HG LEU 6 - QE PHE 93 far 0 70 0 - 6.4-8.1 HB2 LEU 6 - QE PHE 93 far 0 99 0 - 8.0-9.6 Violated in 1 structures by 0.02 A. Peak 4676 from aronoe.peaks (1.36, 7.14, 130.55 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.82: HG3 LYS 65 + QE PHE 93 OK 82 84 100 98 2.2-5.8 10805/9693=50, ~10463=45...(11) HG2 LYS 94 - QE PHE 93 far 4 87 5 - 5.7-9.4 HB3 LEU 81 - QE PHE 93 far 0 100 0 - 7.8-9.4 HG LEU 81 - QE PHE 93 far 0 90 0 - 8.4-10.0 Violated in 3 structures by 0.13 A. Peak 4677 from aronoe.peaks (1.08, 7.14, 130.55 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.23: HD3 LYS 61 + QE PHE 93 OK 23 77 65 47 2.1-6.8 3.7/4675=46 Violated in 15 structures by 0.98 A. Peak 4678 from aronoe.peaks (0.99, 7.14, 130.55 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.92: HG12 ILE 97 + QE PHE 93 OK 92 96 100 96 1.9-4.3 2.1/4742=65, ~10141=45...(6) Violated in 2 structures by 0.00 A. Peak 4679 from aronoe.peaks (0.81, 7.14, 130.55 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 64 + QE PHE 93 OK 97 99 100 98 1.9-3.9 2.1/9693=62, 9692=46...(20) QD2 LEU 82 + QE PHE 93 OK 74 77 100 96 1.8-5.1 9983/2.2=40, ~11398=37...(14) Violated in 0 structures by 0.00 A. Peak 4681 from aronoe.peaks (1.93, 7.08, 129.17 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.99: HB2 LYS 65 + HZ PHE 93 OK 92 98 100 94 2.9-5.7 2.9/4683=36...(10) HB3 LYS 65 + HZ PHE 93 OK 84 99 90 94 3.0-6.0 2.9/4683=36...(10) HB VAL 104 - HZ PHE 93 far 0 65 0 - 7.9-10.8 HB2 LEU 81 - HZ PHE 93 far 0 94 0 - 9.5-12.2 Violated in 16 structures by 0.36 A. Peak 4682 from aronoe.peaks (1.63, 7.08, 129.17 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.99: HB3 LEU 64 + HZ PHE 93 OK 97 99 100 98 3.1-4.9 ~9693=35, ~9692=34...(15) HG LEU 64 + HZ PHE 93 OK 64 70 95 98 3.0-5.9 ~9693=46, ~9692=44...(17) HB2 LEU 82 - HZ PHE 93 far 5 99 5 - 5.5-8.9 HG LEU 63 - HZ PHE 93 far 0 99 0 - 9.0-10.3 HG LEU 90 - HZ PHE 93 far 0 81 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 4683 from aronoe.peaks (1.53, 7.08, 129.17 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.75: HG2 LYS 65 + HZ PHE 93 OK 62 77 85 95 2.2-7.0 ~4676=54, 2.9/4681=38...(7) HB2 LYS 61 + HZ PHE 93 OK 34 70 100 49 2.6-5.3 3.0/9656=32, 9659/2.2=24 HG LEU 6 - HZ PHE 93 far 0 81 0 - 6.1-8.2 HD2 LYS 94 - HZ PHE 93 far 0 100 0 - 8.5-12.6 HD3 LYS 94 - HZ PHE 93 far 0 100 0 - 9.5-12.7 Violated in 1 structures by 0.02 A. Peak 4684 from aronoe.peaks (0.97, 7.08, 129.17 ppm; 4.01 A): 0 out of 1 assignment used, quality = 0.00: QD1 LEU 38 - HZ PHE 93 far 0 94 0 - 7.6-8.8 Violated in 20 structures by 4.29 A. Peak 4685 from aronoe.peaks (0.79, 7.08, 129.17 ppm; 3.71 A): 4 out of 4 assignments used, quality = 1.00: QD2 LEU 64 + HZ PHE 93 OK 94 97 100 97 1.8-5.1 9693/2.2=56, ~9692=35...(17) QD1 LEU 82 + HZ PHE 93 OK 77 87 95 93 3.9-6.5 2.1/9982=44, ~9981=38...(10) QD1 LEU 80 + HZ PHE 93 OK 41 77 85 63 3.6-6.1 9925/4721=22...(8) QD2 LEU 80 + HZ PHE 93 OK 41 81 80 63 3.8-6.2 9938/3.8=21...(8) Violated in 3 structures by 0.03 A. Peak 4686 from aronoe.peaks (2.23, 6.98, 132.43 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.61: HB2 GLN 100 + QD TYR 102 OK 61 61 100 99 2.2-4.2 1.8/4687=81, 4619/2.2=73...(8) Violated in 1 structures by 0.01 A. Peak 4687 from aronoe.peaks (2.06, 6.98, 132.43 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.86: HB3 GLN 100 + QD TYR 102 OK 86 87 100 99 2.2-4.6 1.8/4686=69, 4620/2.2=61...(9) HB3 GLU 98 - QD TYR 102 far 0 97 0 - 5.6-7.5 HB3 PHE 79 - QD TYR 102 far 0 77 0 - 6.9-7.7 HB3 MET 67 - QD TYR 102 far 0 90 0 - 8.3-9.7 HB2 LYS 94 - QD TYR 102 far 0 92 0 - 9.2-10.6 Violated in 5 structures by 0.12 A. Peak 4688 from aronoe.peaks (1.80, 6.98, 132.43 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.87: HB ILE 97 + QD TYR 102 OK 87 87 100 100 4.2-4.6 2.1/4693=95...(17) HB2 LEU 64 - QD TYR 102 far 0 97 0 - 7.8-9.9 HG12 ILE 5 - QD TYR 102 far 0 90 0 - 8.6-10.9 Violated in 2 structures by 0.01 A. Peak 4689 from aronoe.peaks (1.57, 6.98, 132.43 ppm; 3.96 A): 2 out of 7 assignments used, quality = 0.91: HB VAL 78 + QD TYR 102 OK 77 77 100 99 2.4-3.4 2.1/4694=74, 2.1/9875=56...(14) HG LEU 68 + QD TYR 102 OK 62 73 85 100 4.9-5.9 2.1/4696=77, 2.1/4695=68...(13) HG3 LYS 96 - QD TYR 102 far 0 100 0 - 8.3-9.7 HB3 LEU 70 - QD TYR 102 far 0 100 0 - 8.4-10.0 HD2 LYS 106 - QD TYR 102 far 0 90 0 - 9.0-15.0 HD3 LYS 106 - QD TYR 102 far 0 92 0 - 9.6-15.2 HG12 ILE 3 - QD TYR 102 far 0 90 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 4690 from aronoe.peaks (1.42, 6.98, 132.43 ppm; 4.39 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 4 - QD TYR 102 far 0 61 0 - 6.6-7.8 HB3 LEU 4 - QD TYR 102 far 0 61 0 - 7.8-9.1 HG12 ILE 56 - QD TYR 102 far 0 94 0 - 9.7-10.5 Violated in 20 structures by 2.40 A. Peak 4691 from aronoe.peaks (0.90, 6.98, 132.43 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.60: QG2 VAL 104 + QD TYR 102 OK 60 81 85 88 3.3-6.2 11092/9935=35...(9) QD1 LEU 70 - QD TYR 102 far 0 96 0 - 8.3-9.4 QD1 LEU 90 - QD TYR 102 far 0 99 0 - 9.2-12.9 QD2 LEU 70 - QD TYR 102 far 0 99 0 - 9.3-10.0 Violated in 15 structures by 0.55 A. Peak 4692 from aronoe.peaks (0.78, 6.98, 132.43 ppm; 3.80 A): 3 out of 6 assignments used, quality = 0.97: QD1 LEU 80 + QD TYR 102 OK 85 100 90 94 3.1-5.4 11092/4691=40, 9935=40...(10) QD2 LEU 80 + QD TYR 102 OK 72 100 75 96 3.3-5.6 11091/4691=47...(11) QD2 LEU 64 + QD TYR 102 OK 35 97 65 56 5.0-7.3 10967/4696=22...(6) QD1 LEU 82 - QD TYR 102 far 0 100 0 - 6.4-7.8 QD1 ILE 7 - QD TYR 102 far 0 94 0 - 8.0-10.2 QD1 LEU 81 - QD TYR 102 far 0 84 0 - 9.2-10.2 Violated in 9 structures by 0.08 A. Peak 4693 from aronoe.peaks (0.69, 6.98, 132.43 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 97 + QD TYR 102 OK 99 100 100 100 1.6-1.9 10152=70, 10117/2.5=50...(19) QD2 LEU 4 - QD TYR 102 far 0 97 0 - 7.3-9.3 QG2 ILE 56 - QD TYR 102 far 0 94 0 - 7.6-9.3 QD1 LEU 55 - QD TYR 102 far 0 100 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 4694 from aronoe.peaks (0.62, 6.98, 132.43 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 78 + QD TYR 102 OK 99 100 100 99 3.2-4.0 2.1/9875=50, 2.1/9872=48...(16) QD1 ILE 5 - QD TYR 102 far 0 98 0 - 7.3-9.6 Violated in 13 structures by 0.05 A. Peak 4695 from aronoe.peaks (0.51, 6.98, 132.43 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 68 + QD TYR 102 OK 100 100 100 100 2.6-3.8 2.1/4696=81, 4632/2.2=63...(17) Violated in 0 structures by 0.00 A. Peak 4696 from aronoe.peaks (0.39, 6.98, 132.43 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 68 + QD TYR 102 OK 97 98 100 99 2.4-3.3 4633/2.2=68, 2.1/4695=59...(17) Violated in 0 structures by 0.00 A. Peak 4697 from aronoe.peaks (6.87, 6.98, 132.43 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.50: H TYR 102 + QD TYR 102 OK 50 57 100 87 2.0-3.0 3.0/4551=54, 4.4=51...(4) QD TYR 76 - QD TYR 102 far 0 81 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 4698 from aronoe.peaks (7.83, 6.98, 132.43 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.93: H VAL 78 + QD TYR 102 OK 91 99 100 92 2.8-4.3 4.0/4694=54...(5) H ILE 97 + QD TYR 102 OK 23 99 25 93 5.3-6.2 4.0/4693=60, 3.9/4688=46...(5) Violated in 0 structures by 0.00 A. Peak 4699 from aronoe.peaks (8.32, 6.98, 132.43 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: H GLU 103 + QD TYR 102 OK 100 100 100 100 4.3-4.7 4.7=90, 652/2.5=79...(5) Violated in 16 structures by 0.09 A. Peak 4700 from aronoe.peaks (8.83, 6.79, 129.64 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.97: H PHE 120 + QD PHE 120 OK 97 97 100 100 2.6-3.2 1792=92, 3.0/4558=77...(15) Violated in 0 structures by 0.00 A. Peak 4701 from aronoe.peaks (8.70, 7.02, 129.44 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.98: H ARG 105 + HZ PHE 120 OK 98 100 100 98 2.8-5.0 10249=74, 10685/4711=56...(9) Violated in 9 structures by 0.15 A. Peak 4702 from aronoe.peaks (2.07, 6.79, 129.64 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.93: HB3 PHE 79 + QD PHE 120 OK 91 97 100 94 2.6-3.2 4729/2.2=54, ~4723=39...(12) HB2 GLU 103 + QD PHE 120 OK 21 61 55 64 4.5-7.4 1.8/10213=33, ~10207=27...(4) HG2 GLU 119 - QD PHE 120 far 0 95 0 - 5.6-6.5 HB3 MET 121 - QD PHE 120 far 0 94 0 - 6.0-7.1 Violated in 0 structures by 0.00 A. Peak 4703 from aronoe.peaks (1.93, 6.79, 129.64 ppm; 4.28 A): 3 out of 7 assignments used, quality = 1.00: HB2 LEU 81 + QD PHE 120 OK 97 97 100 100 2.5-4.7 9944/2.2=60, ~9945=47...(17) HB2 LYS 123 + QD PHE 120 OK 90 95 100 95 3.7-5.5 8297/4558=59...(5) HB3 LYS 123 + QD PHE 120 OK 80 87 100 92 4.1-4.9 8299/4558=52...(4) HG2 MET 121 - QD PHE 120 poor 19 94 25 80 5.2-7.4 1797/4.6=38...(8) HB2 LYS 115 - QD PHE 120 far 0 100 0 - 8.2-9.8 HB3 LYS 115 - QD PHE 120 far 0 95 0 - 8.7-9.6 HB2 LEU 127 - QD PHE 120 far 0 97 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 4704 from aronoe.peaks (1.85, 6.79, 129.64 ppm; 4.24 A): 1 out of 7 assignments used, quality = 0.93: HD2 LYS 123 + QD PHE 120 OK 93 99 100 94 3.2-4.4 1.8/4705=77...(5) QE MET 121 - QD PHE 120 poor 20 65 30 - 4.1-7.4 HB2 ARG 105 - QD PHE 120 poor 19 94 25 79 5.4-6.9 11414/2.2=29, ~10252=29...(5) HG LEU 127 - QD PHE 120 far 0 92 0 - 8.2-9.9 HB3 LYS 77 - QD PHE 120 far 0 97 0 - 8.5-9.9 HB2 LYS 77 - QD PHE 120 far 0 99 0 - 9.4-10.4 QE MET 42 - QD PHE 120 far 0 65 0 - 10.0-12.1 Violated in 3 structures by 0.01 A. Peak 4705 from aronoe.peaks (1.76, 6.79, 129.64 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.82: HD3 LYS 123 + QD PHE 120 OK 82 94 100 88 4.2-5.4 1.8/4704=64...(5) HB2 LEU 80 - QD PHE 120 far 0 99 0 - 6.1-7.0 HG3 ARG 105 - QD PHE 120 far 0 99 0 - 6.4-7.8 HG12 ILE 18 - QD PHE 120 far 0 95 0 - 8.1-9.9 HB2 LEU 55 - QD PHE 120 far 0 99 0 - 8.8-10.5 Violated in 19 structures by 0.74 A. Peak 4706 from aronoe.peaks (1.62, 6.79, 129.64 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.84: HB ILE 116 + QD PHE 120 OK 84 89 95 99 4.7-6.1 2.1/4710=83, ~4734=55...(9) HD2 LYS 77 - QD PHE 120 far 0 99 0 - 6.1-9.1 HD3 LYS 77 - QD PHE 120 far 0 99 0 - 6.2-8.8 HB2 LEU 82 - QD PHE 120 far 0 100 0 - 8.4-10.8 Violated in 20 structures by 1.04 A. Peak 4707 from aronoe.peaks (0.84, 6.79, 129.64 ppm; 3.22 A): 1 out of 8 assignments used, quality = 0.97: QG2 ILE 5 + QD PHE 120 OK 97 100 100 97 2.0-3.0 3.0/4709=41, 9048/2.2=33...(24) HG13 ILE 5 - QD PHE 120 far 5 100 5 - 4.6-6.5 QG2 ILE 57 - QD PHE 120 far 0 100 0 - 6.7-10.2 QG2 VAL 22 - QD PHE 120 far 0 89 0 - 6.9-9.7 QD2 LEU 82 - QD PHE 120 far 0 65 0 - 7.9-8.8 QD1 LEU 14 - QD PHE 120 far 0 73 0 - 8.2-9.1 HG13 ILE 57 - QD PHE 120 far 0 73 0 - 9.0-11.7 QG2 ILE 15 - QD PHE 120 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 4708 from aronoe.peaks (0.73, 6.79, 129.64 ppm; 3.97 A): 1 out of 9 assignments used, quality = 0.94: QG1 VAL 117 + QD PHE 120 OK 94 95 100 99 2.2-3.1 3.2/4720=63...(18) QG2 ILE 7 - QD PHE 120 poor 14 77 30 62 5.1-6.3 3.3/9083=27, ~9084=26...(6) QG2 ILE 18 - QD PHE 120 far 9 89 10 - 5.2-7.2 QD2 LEU 55 - QD PHE 120 far 0 97 0 - 5.5-8.0 QD1 LEU 6 - QD PHE 120 far 0 80 0 - 6.6-7.7 HG13 ILE 18 - QD PHE 120 far 0 100 0 - 6.7-8.6 QG2 VAL 78 - QD PHE 120 far 0 99 0 - 7.2-8.2 QD2 LEU 6 - QD PHE 120 far 0 98 0 - 7.3-8.1 QG2 ILE 54 - QD PHE 120 far 0 69 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 4709 from aronoe.peaks (0.62, 6.79, 129.64 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 5 + QD PHE 120 OK 100 100 100 100 3.3-4.6 3.0/4707=68...(20) QG1 VAL 22 - QD PHE 120 far 4 77 5 - 5.1-7.4 QG1 VAL 78 - QD PHE 120 far 0 95 0 - 5.4-6.3 QD1 ILE 18 - QD PHE 120 far 0 92 0 - 5.8-7.0 QD1 LEU 4 - QD PHE 120 far 0 61 0 - 9.0-10.0 Violated in 15 structures by 0.27 A. Peak 4710 from aronoe.peaks (0.06, 6.79, 129.64 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.82: QG2 ILE 116 + QD PHE 120 OK 82 84 100 99 3.6-4.4 2.1/4706=60...(13) Violated in 5 structures by 0.04 A. Peak 4711 from aronoe.peaks (5.27, 7.02, 129.44 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 81 + HZ PHE 120 OK 100 100 100 100 3.1-4.1 4739/2.2=73...(16) HA GLN 83 - HZ PHE 120 far 0 87 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 4712 from aronoe.peaks (2.10, 7.02, 129.44 ppm; 4.50 A): 0 out of 6 assignments used, quality = 0.00: HB2 GLU 103 - HZ PHE 120 poor 18 84 35 61 5.2-7.6 ~10207=35, ~10209=32 HB2 GLU 119 - HZ PHE 120 poor 14 70 100 20 5.1-5.7 11199/10466=12...(3) HB3 GLU 119 - HZ PHE 120 far 0 81 0 - 6.0-7.1 HB VAL 107 - HZ PHE 120 far 0 73 0 - 6.6-8.2 HB3 GLU 112 - HZ PHE 120 far 0 70 0 - 9.0-11.1 HG3 GLN 83 - HZ PHE 120 far 0 70 0 - 9.7-12.1 Violated in 20 structures by 0.30 A. Peak 4713 from aronoe.peaks (1.89, 7.02, 129.44 ppm; 4.33 A): 0 out of 1 assignment used, quality = 0.00: HB ILE 7 - HZ PHE 120 far 0 100 0 - 8.4-10.3 Violated in 20 structures by 5.07 A. Peak 4714 from aronoe.peaks (1.80, 7.02, 129.44 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.93: HG2 ARG 105 + HZ PHE 120 OK 93 94 100 99 2.4-3.8 1.8/10255=49...(13) HG12 ILE 5 - HZ PHE 120 far 0 90 0 - 7.5-11.0 HB ILE 97 - HZ PHE 120 far 0 87 0 - 8.4-10.6 HB2 ARG 118 - HZ PHE 120 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 4715 from aronoe.peaks (1.35, 7.02, 129.44 ppm; 4.44 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 81 + HZ PHE 120 OK 100 100 100 100 4.8-5.7 2.1/4716=82...(12) HB3 LEU 81 + HZ PHE 120 OK 89 94 95 100 3.9-6.0 3.1/4716=68, 9945/2.2=64...(16) Violated in 18 structures by 0.41 A. Peak 4716 from aronoe.peaks (0.80, 7.02, 129.44 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.97: QD1 LEU 81 + HZ PHE 120 OK 97 97 100 100 2.8-3.6 11603/2.2=71...(14) QD1 LEU 82 - HZ PHE 120 far 3 65 5 - 5.2-7.8 QD1 LEU 64 - HZ PHE 120 far 0 65 0 - 7.7-10.9 QD2 LEU 64 - HZ PHE 120 far 0 84 0 - 9.0-11.3 QD1 LEU 114 - HZ PHE 120 far 0 94 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 4717 from aronoe.peaks (0.05, 7.02, 129.44 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 116 + HZ PHE 120 OK 99 99 100 100 1.9-2.5 4734/2.2=70, 10466=63...(15) Violated in 0 structures by 0.00 A. Peak 4718 from aronoe.peaks (0.11, 6.79, 132.65 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.99: HB2 LYS 53 + QD TYR 27 OK 99 99 100 100 2.1-5.1 2.8/4584=75, 2.8/4585=73...(9) Violated in 5 structures by 0.06 A. Peak 4719 from aronoe.peaks (0.11, 6.58, 117.79 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: HB2 LYS 53 + QE TYR 27 OK 100 100 100 100 2.3-4.3 4718/2.2=79, 3.7/4593=66...(11) Violated in 0 structures by 0.00 A. Peak 4720 from aronoe.peaks (3.26, 6.79, 129.64 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 117 + QD PHE 120 OK 99 100 100 99 2.2-3.1 8276/2.4=69, 10528=59...(14) Violated in 0 structures by 0.00 A. Peak 4721 from aronoe.peaks (0.52, 7.08, 129.17 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.63: QD1 LEU 68 + HZ PHE 93 OK 63 84 100 75 3.3-5.5 ~9748=34, 11641/10141=23...(9) Violated in 11 structures by 0.17 A. Peak 4723 from aronoe.peaks (6.72, 7.14, 131.36 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.92: QD PHE 79 + QE PHE 120 OK 92 99 100 93 3.1-4.1 2.4/4729=67, 4640/4.4=41...(7) QE TYR 102 - QE PHE 120 far 0 100 0 - 9.5-10.8 Violated in 2 structures by 0.00 A. Peak 4725 from aronoe.peaks (8.31, 6.86, 132.04 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.65: H LYS 77 + QD TYR 76 OK 65 65 100 99 3.8-4.1 4.7=77, 3.6/4520=67...(5) Violated in 0 structures by 0.00 A. Peak 4727 from aronoe.peaks (1.35, 7.14, 131.36 ppm; 3.54 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 81 + QE PHE 120 OK 99 100 100 99 1.7-3.8 1.8/4731=61, 3.1/4732=54...(17) HG LEU 81 + QE PHE 120 OK 92 93 100 99 3.7-4.7 2.1/4732=69, 3.0/4731=48...(15) HG2 LYS 94 - QE PHE 120 far 0 80 0 - 8.3-12.1 HG2 LYS 77 - QE PHE 120 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 4728 from aronoe.peaks (1.80, 7.14, 131.36 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.99: HG2 ARG 105 + QE PHE 120 OK 97 100 100 97 3.1-4.6 4714/2.2=60...(12) HB3 ARG 105 + QE PHE 120 OK 76 83 100 91 2.9-4.0 ~4714=29, 3.0/10252=25...(13) HG12 ILE 5 - QE PHE 120 far 0 99 0 - 5.7-8.7 HB ILE 97 - QE PHE 120 far 0 98 0 - 8.3-10.0 HB ILE 18 - QE PHE 120 far 0 65 0 - 8.3-10.6 HB2 ARG 118 - QE PHE 120 far 0 99 0 - 8.3-9.1 HB2 LEU 64 - QE PHE 120 far 0 80 0 - 9.3-11.4 Violated in 2 structures by 0.01 A. Peak 4729 from aronoe.peaks (2.06, 7.14, 131.36 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.55: HB3 PHE 79 + QE PHE 120 OK 55 65 100 86 3.3-4.2 2.4/4723=66, 4702/2.2=44...(8) HB VAL 117 - QE PHE 120 far 14 91 15 - 5.0-6.5 HG2 GLU 119 - QE PHE 120 far 0 61 0 - 5.9-7.0 HB3 GLU 98 - QE PHE 120 far 0 99 0 - 9.4-12.1 HB2 LYS 94 - QE PHE 120 far 0 83 0 - 9.5-12.0 Violated in 3 structures by 0.01 A. Peak 4730 from aronoe.peaks (1.63, 7.14, 131.36 ppm; 4.14 A): 1 out of 7 assignments used, quality = 0.99: HB ILE 116 + QE PHE 120 OK 99 99 100 100 3.3-4.8 2.1/4734=76...(11) HB ILE 5 - QE PHE 120 far 0 86 0 - 6.1-7.7 HB2 LEU 82 - QE PHE 120 far 0 83 0 - 6.6-8.9 HD2 LYS 77 - QE PHE 120 far 0 91 0 - 7.3-9.9 HD3 LYS 77 - QE PHE 120 far 0 89 0 - 7.4-9.9 HG LEU 64 - QE PHE 120 far 0 95 0 - 8.7-10.6 HG LEU 114 - QE PHE 120 far 0 69 0 - 9.6-11.0 Violated in 14 structures by 0.18 A. Peak 4731 from aronoe.peaks (1.91, 7.14, 131.36 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.80: HB2 LEU 81 + QE PHE 120 OK 80 80 100 100 1.7-3.5 3.1/4732=65, 3.0/4739=50...(18) HB3 LYS 123 - QE PHE 120 far 0 93 0 - 6.1-6.8 HB ILE 7 - QE PHE 120 far 0 83 0 - 6.2-7.8 HG2 MET 121 - QE PHE 120 far 0 86 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 4732 from aronoe.peaks (0.81, 7.14, 131.36 ppm; 3.43 A): 1 out of 6 assignments used, quality = 0.64: QD1 LEU 81 + QE PHE 120 OK 64 65 100 99 1.9-3.3 3.1/4731=43, 11603=40...(16) QD2 LEU 82 - QE PHE 120 far 0 65 0 - 6.1-7.4 QD1 LEU 64 - QE PHE 120 far 0 96 0 - 6.7-9.5 QD1 LEU 114 - QE PHE 120 far 0 100 0 - 8.2-10.2 QG1 VAL 29 - QE PHE 120 far 0 96 0 - 9.1-12.9 QG2 ILE 71 - QE PHE 120 far 0 91 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 4734 from aronoe.peaks (0.04, 7.14, 131.36 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 116 + QE PHE 120 OK 100 100 100 100 2.2-3.1 2.1/4730=65, 4717/2.2=63...(18) Violated in 0 structures by 0.00 A. Peak 4735 from aronoe.peaks (0.74, 6.72, 118.20 ppm; 3.18 A): 3 out of 12 assignments used, quality = 0.83: QD1 LEU 45 + QE TYR 76 OK 61 68 100 90 1.9-3.2 3.1/4623=40, 2.1/9450=27...(13) QG2 VAL 78 + QE TYR 102 OK 37 80 50 91 4.0-5.4 2.1/4625=44, ~4694=28...(10) QD2 LEU 45 + QE TYR 76 OK 33 71 50 92 3.1-5.4 3.1/4623=40, ~4618=28...(12) QD2 LEU 6 - QE TYR 102 far 0 99 0 - 5.0-6.5 QG2 VAL 78 - QE TYR 76 far 0 71 0 - 5.4-6.0 QG2 ILE 54 - QE TYR 76 far 0 89 0 - 6.1-9.2 QD1 LEU 45 - QE TYR 102 far 0 77 0 - 7.9-10.4 QD2 LEU 6 - QE TYR 76 far 0 92 0 - 7.9-9.8 QD2 LEU 55 - QE TYR 76 far 0 93 0 - 9.8-12.8 QG2 ILE 7 - QE TYR 102 far 0 99 0 - 9.8-11.3 QD2 LEU 55 - QE TYR 102 far 0 100 0 - 9.9-12.9 QD2 LEU 45 - QE TYR 102 far 0 80 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 4738 from aronoe.peaks (9.06, 7.14, 131.36 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: H LEU 81 + QE PHE 120 OK 100 100 100 100 3.4-4.6 3.0/4739=78, 3.8/4731=75...(11) H LEU 4 - QE PHE 120 far 0 65 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 4739 from aronoe.peaks (5.27, 7.14, 131.36 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 81 + QE PHE 120 OK 99 99 100 100 2.5-3.5 3.0/4731=73, 4711/2.2=73...(17) HA GLN 83 - QE PHE 120 far 0 86 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 4740 from aronoe.peaks (1.65, 7.22, 131.52 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.93: HD3 LYS 65 + QD PHE 93 OK 69 98 85 83 3.9-8.9 ~4676=43, 11594/2.2=39...(6) HD2 LYS 65 + QD PHE 93 OK 65 99 80 83 4.1-9.6 ~4676=43, 11594/2.2=37...(6) HG LEU 64 + QD PHE 93 OK 37 83 45 98 5.4-7.9 ~9693=57, ~9692=55...(14) HG LEU 90 - QD PHE 93 poor 15 74 20 - 5.3-8.4 Violated in 5 structures by 0.19 A. Peak 4741 from aronoe.peaks (0.38, 7.08, 129.17 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.65: QD1 ILE 97 + HZ PHE 93 OK 65 65 100 99 2.0-3.7 4742/2.2=69, ~4678=58...(14) QD2 LEU 68 - HZ PHE 93 far 5 100 5 - 5.6-8.0 Violated in 0 structures by 0.00 A. Peak 4742 from aronoe.peaks (0.37, 7.14, 130.55 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.94: QD1 ILE 97 + QE PHE 93 OK 94 94 100 100 1.8-3.6 2.1/4678=81...(15) QD2 LEU 68 - QE PHE 93 far 9 87 10 - 5.9-7.5 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.949 Average number of used assignments : 1.742 Average rank of reference assignment: 1.110 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 4.97 A Atom Residue Shift Peaks Used Expect H ILE 3 8.444 6 5 19 Peaks: selected : 9459 in nnoeabs.peaks : 2125 in cnoeabs.peaks : 7125 in aronoe.peaks : 209 assigned : 9269 unassigned : 190 without assignment possibility : 65 with violation below 0.5 A : 15 with violation between 0.5 and 3.0 A : 65 with violation above 3.0 A : 45 in nnoeabs.peaks : 23 in cnoeabs.peaks : 154 in aronoe.peaks : 13 with diagonal assignment : 1019 Cross peaks: with off-diagonal assignment : 8250 with unique assignment : 4874 with short-range assignment |i-j|<=1: 6102 with medium-range assignment 1<|i-j|<5 : 1022 with long-range assignment |i-j|>=5: 1126 Comparison with reference assignment: Cross peaks with reference assignment : 6307 with identical reference assignment : 3580 with compatible reference assignment : 6117 with incompatible reference assignment : 10 with additional reference assignment : 4 with additional assignment : 2123