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 2.1-2.3 3.6=62, 3.2/4=37...(12) HA ILE 5 - H LEU 4 far 0 97 0 - 4.7-4.9 Violated in 0 structures by 0.00 A. Peak 3 from nnoeabs.peaks (1.81, 9.08, 127.78 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 3 + H LEU 4 OK 100 100 100 100 3.9-4.4 4.4=100 HG12 ILE 5 - H LEU 4 far 0 100 0 - 6.2-6.6 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 1.9-3.0 7305=89, 3.2/2=61...(9) HG2 LYS 2 - H LEU 4 far 0 94 0 - 4.6-8.0 HG2 LYS 53 - H LEU 4 far 0 92 0 - 5.4-9.2 Violated in 0 structures by 0.00 A. Peak 5 from nnoeabs.peaks (1.56, 9.08, 127.78 ppm; 5.31 A increased from 4.72 A): 2 out of 3 assignments used, quality = 0.99: HB VAL 78 + H LEU 4 OK 94 99 95 100 4.9-5.4 2.1/10665=96...(4) * HG12 ILE 3 + H LEU 4 OK 85 100 85 100 4.0-5.6 3.2/4=92, 3.8/2=91...(7) HG LEU 55 - H LEU 4 far 0 99 0 - 7.3-7.8 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 4.1-5.1 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; 5.16 A increased from 4.58 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 3 + H LEU 4 OK 100 100 100 100 3.6-5.0 7308=100, 3.0/4=91...(7) HD3 LYS 2 - H LEU 4 far 0 94 0 - 5.7-9.0 HG13 ILE 56 - H LEU 4 far 0 90 0 - 7.3-8.2 Violated in 0 structures by 0.00 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 4.2-4.5 4.6=100 H LEU 81 - H ILE 5 far 0 65 0 - 8.5-8.9 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, 3.8/14=24...(8) Violated in 0 structures by 0.00 A. Peak 10 from nnoeabs.peaks (1.44, 8.77, 123.01 ppm; 4.26 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 4 + H ILE 5 OK 100 100 100 100 3.4-3.9 4.4=93, 3.0/9=75...(11) HB3 LEU 4 + H ILE 5 OK 100 100 100 100 2.8-3.4 4.4=93, 3.0/9=75...(10) HG12 ILE 56 - H ILE 5 poor 12 92 40 33 3.8-5.1 4.6/9529=32 HG LEU 4 - H ILE 5 far 0 81 0 - 5.1-5.3 HG3 ARG 30 - H ILE 5 far 0 77 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 11 from nnoeabs.peaks (1.44, 8.77, 123.01 ppm; 4.26 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 4 + H ILE 5 OK 100 100 100 100 3.4-3.9 4.4=93, 3.0/9=75...(11) * HB3 LEU 4 + H ILE 5 OK 100 100 100 100 2.8-3.4 4.4=93, 3.0/9=75...(10) HG12 ILE 56 - H ILE 5 poor 12 92 40 33 3.8-5.1 4.6/9529=32 HG LEU 4 - H ILE 5 far 0 81 0 - 5.1-5.3 HG3 ARG 30 - H ILE 5 far 0 77 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 12 from nnoeabs.peaks (1.45, 8.77, 123.01 ppm; 4.26 A): 2 out of 7 assignments used, quality = 0.96: HB2 LEU 4 + H ILE 5 OK 80 81 100 100 3.4-3.9 4.4=93, 3.0/9=75...(11) HB3 LEU 4 + H ILE 5 OK 80 81 100 100 2.8-3.4 4.4=93, 3.0/9=75...(9) ! HG LEU 4 - H ILE 5 far 0 100 0 - 5.1-5.3 HB3 LEU 6 - H ILE 5 far 0 97 0 - 6.5-6.9 HG12 ILE 57 - H ILE 5 far 0 94 0 - 6.8-7.6 HG12 ILE 7 - H ILE 5 far 0 96 0 - 7.6-8.0 HG3 ARG 30 - H ILE 5 far 0 100 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 13 from nnoeabs.peaks (0.64, 8.77, 123.01 ppm; 4.08 A): 1 out of 6 assignments used, quality = 0.55: QD1 ILE 5 + H ILE 5 OK 55 65 100 83 3.3-4.0 5.0=54, 2697/4.0=27...(7) ! QD1 LEU 4 - H ILE 5 far 0 100 0 - 4.7-5.2 QD1 ILE 56 - H ILE 5 far 0 61 0 - 5.1-6.2 QD1 ILE 71 - H ILE 5 far 0 87 0 - 5.7-6.4 QG1 VAL 22 - H ILE 5 far 0 99 0 - 6.0-6.9 QD1 ILE 54 - H ILE 5 far 0 97 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 14 from nnoeabs.peaks (0.68, 8.77, 123.01 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.99: * QD2 LEU 4 + H ILE 5 OK 99 100 100 99 4.0-4.2 3.8/9=63, 7314=53...(9) QD1 LEU 55 + H ILE 5 OK 41 98 45 94 3.9-4.9 10939/3.9=59...(6) QD1 ILE 56 - H ILE 5 far 0 70 0 - 5.1-6.2 QG2 ILE 56 - H ILE 5 far 0 73 0 - 5.6-6.8 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 2.1-2.1 3.6=80, 3.2/20=46...(7) HA ILE 3 - H LEU 6 far 0 97 0 - 8.1-8.7 HA ILE 54 - H LEU 6 far 0 84 0 - 9.9-10.2 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 4 assignments used, quality = 1.00: * HB ILE 5 + H LEU 6 OK 100 100 100 100 4.1-4.2 4.5=100 HG LEU 64 - H LEU 6 far 0 99 0 - 7.5-7.8 HB ILE 116 - H LEU 6 far 0 73 0 - 9.5-10.0 HB3 LEU 64 - H LEU 6 far 0 70 0 - 10.0-10.4 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 6 assignments used, quality = 0.95: * QG2 ILE 5 + H LEU 6 OK 95 100 100 95 2.6-2.8 7317=72, 3.2/16=53...(7) HG13 ILE 5 - H LEU 6 far 0 99 0 - 5.0-5.2 HG13 ILE 57 - H LEU 6 far 0 65 0 - 7.4-8.3 QG2 ILE 57 - H LEU 6 far 0 100 0 - 7.8-8.6 QD2 LEU 82 - H LEU 6 far 0 73 0 - 8.0-8.4 QG2 VAL 22 - H LEU 6 far 0 84 0 - 8.7-9.5 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 7 assignments used, quality = 0.93: QG2 ILE 5 + H LEU 6 OK 93 99 100 94 2.6-2.8 7317=71, 3.2/16=53...(7) ! HG13 ILE 5 - H LEU 6 far 0 100 0 - 5.0-5.2 QG2 VAL 117 - H LEU 6 far 0 61 0 - 6.3-6.8 HG13 ILE 57 - H LEU 6 far 0 84 0 - 7.4-8.3 QG2 ILE 57 - H LEU 6 far 0 98 0 - 7.8-8.6 QG2 THR 9 - H LEU 6 far 0 70 0 - 8.6-8.9 QG2 VAL 22 - H LEU 6 far 0 96 0 - 8.7-9.5 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 5 assignments used, quality = 1.00: * QD1 ILE 5 + H LEU 6 OK 98 100 100 98 3.4-3.8 3.0/18=82, 4.2/16=66...(6) QG1 VAL 78 + H LEU 6 OK 92 94 100 98 2.3-2.8 4.1/9070=51...(11) QD1 LEU 4 - H LEU 6 far 0 65 0 - 6.2-6.7 QG1 VAL 22 - H LEU 6 far 0 81 0 - 7.5-8.0 QD1 ILE 18 - H LEU 6 far 0 90 0 - 7.9-8.3 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 2.1-2.1 7321=74, 2450/28=38...(11) Violated in 0 structures by 0.00 A. Peak 24 from nnoeabs.peaks (1.51, 8.93, 120.75 ppm; 4.68 A increased from 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 6 + H ILE 7 OK 100 100 100 100 4.5-4.5 4.6=100 HG LEU 6 - H ILE 7 far 0 87 0 - 4.8-5.0 HB3 ARG 30 - H ILE 7 far 0 98 0 - 8.5-9.2 HB3 LEU 14 - H ILE 7 far 0 92 0 - 9.9-10.4 HG2 ARG 30 - H ILE 7 far 0 90 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 25 from nnoeabs.peaks (1.46, 8.93, 120.75 ppm; 4.20 A increased from 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 6 + H ILE 7 OK 100 100 100 100 4.1-4.2 3.0/23=80, 2482/28=80...(7) HG12 ILE 7 - H ILE 7 far 10 100 10 - 4.3-4.5 HG12 ILE 57 - H ILE 7 far 0 100 0 - 4.8-5.7 HG LEU 80 - H ILE 7 far 0 70 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 27 from nnoeabs.peaks (0.73, 8.93, 120.75 ppm; 3.33 A): 1 out of 10 assignments used, quality = 0.95: * QD2 LEU 6 + H ILE 7 OK 95 100 100 95 2.6-3.3 2449/23=45, 11612=39...(9) QD2 LEU 55 - H ILE 7 far 0 100 0 - 3.8-4.3 QG2 ILE 7 - H ILE 7 far 0 94 0 - 3.8-3.9 QG2 ILE 18 - H ILE 7 far 0 70 0 - 5.9-6.6 QG1 VAL 117 - H ILE 7 far 0 81 0 - 6.3-6.9 QG2 VAL 78 - H ILE 7 far 0 92 0 - 7.0-7.7 QG2 ILE 54 - H ILE 7 far 0 90 0 - 8.2-8.6 QD1 LEU 63 - H ILE 7 far 0 98 0 - 8.5-9.1 HG13 ILE 18 - H ILE 7 far 0 98 0 - 8.9-9.5 QD1 LEU 45 - H ILE 7 far 0 61 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 28 from nnoeabs.peaks (0.71, 8.93, 120.75 ppm; 3.33 A): 1 out of 8 assignments used, quality = 0.94: * QD1 LEU 6 + H ILE 7 OK 94 100 100 94 2.4-3.0 2450/23=45, 2482/25=40...(8) QD1 ILE 57 - H ILE 7 far 0 96 0 - 5.3-6.0 QD2 LEU 81 - H ILE 7 far 0 94 0 - 5.7-6.0 QG2 ILE 18 - H ILE 7 far 0 100 0 - 5.9-6.6 QG1 VAL 117 - H ILE 7 far 0 98 0 - 6.3-6.9 QG2 VAL 78 - H ILE 7 far 0 92 0 - 7.0-7.7 HG13 ILE 18 - H ILE 7 far 0 81 0 - 8.9-9.5 QD2 LEU 63 - H ILE 7 far 0 98 0 - 9.5-10.4 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 4.2-4.3 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 = 0.92: * HA ILE 7 + H ASN 8 OK 92 100 100 92 2.1-2.1 3.6=68, 3.2/32=42...(7) 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 4.2-4.3 4.5=100 QE MET 67 - H ASN 8 far 0 87 0 - 7.7-8.7 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 8 assignments used, quality = 0.94: * QG2 ILE 7 + H ASN 8 OK 94 100 100 94 2.5-2.8 3.8=68, 3.2/30=53...(5) QD2 LEU 6 - H ASN 8 far 0 94 0 - 5.2-6.0 QG1 VAL 107 - H ASN 8 far 0 61 0 - 5.5-6.0 QD2 LEU 55 - H ASN 8 far 0 96 0 - 6.9-7.3 QD2 LEU 14 - H ASN 8 far 0 61 0 - 8.5-8.8 HG13 ILE 18 - H ASN 8 far 0 77 0 - 9.2-9.7 QD1 LEU 63 - H ASN 8 far 0 100 0 - 9.3-9.9 QG2 VAL 78 - H ASN 8 far 0 61 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 33 from nnoeabs.peaks (1.46, 8.63, 125.54 ppm; 4.96 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 7 + H ASN 8 OK 100 100 100 100 4.5-4.7 2510/32=92, 3.8/30=84...(5) HG LEU 80 - H ASN 8 far 0 65 0 - 5.3-5.9 HB3 LEU 6 - H ASN 8 far 0 100 0 - 5.5-5.7 HG12 ILE 57 - H ASN 8 far 0 100 0 - 7.9-8.8 HG2 LYS 106 - H ASN 8 far 0 100 0 - 9.2-10.3 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 4.2-4.3 4.6=100 H ASN 8 - H LYS 65 far 0 79 0 - 9.0-9.5 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 = 0.87: * HA ASN 8 + H THR 9 OK 87 100 100 87 2.1-2.1 7333=61, 3.0/38=23...(7) HA ASN 8 - H LYS 65 far 0 79 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 38 from nnoeabs.peaks (2.89, 8.04, 118.49 ppm; 4.61 A increased from 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 8 + H THR 9 OK 100 100 100 100 4.1-4.5 4.6=100 HB2 ASN 10 - H THR 9 far 0 77 0 - 5.9-7.1 HB2 ASN 8 - H LYS 65 far 0 79 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 39 from nnoeabs.peaks (2.27, 8.04, 118.49 ppm; 4.72 A increased from 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 8 + H THR 9 OK 100 100 100 100 4.2-4.5 4.6=100 HG2 GLU 69 - H LYS 65 far 0 79 0 - 6.1-9.0 HB3 ASN 8 - H LYS 65 far 0 79 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 40 from nnoeabs.peaks (7.37, 8.04, 118.49 ppm; 4.38 A increased from 4.12 A): 1 out of 2 assignments used, quality = 0.99: * HD21 ASN 8 + H THR 9 OK 99 100 100 99 2.8-4.3 9093=89, 823/37=71...(4) HD21 ASN 8 - H LYS 65 far 0 79 0 - 6.4-8.4 Violated in 0 structures by 0.00 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 2.8-4.7 1.7/40=90, 10747=86...(4) HD22 ASN 8 - H LYS 65 far 0 79 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 42 from nnoeabs.peaks (8.04, 8.44, 123.27 ppm; 6.18 A): 1 out of 2 assignments used, quality = 1.00: * H THR 9 + H ASN 10 OK 100 100 100 100 4.4-4.4 4.6=100 H ASP 109 - H ASN 10 far 0 96 0 - 9.9-10.5 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 2 assignments used, quality = 0.90: * HA THR 9 + H ASN 10 OK 90 100 100 90 2.2-2.3 3.6=67, 3.0/44=30...(6) HA ASP 109 - H ASN 10 far 0 100 0 - 9.9-10.6 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 3.6-3.7 4.7=86, 3.0/43=85...(7) HA GLN 85 - H ASN 10 far 0 84 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 45 from nnoeabs.peaks (0.86, 8.44, 123.27 ppm; 4.35 A increased from 4.09 A): 1 out of 7 assignments used, quality = 1.00: * QG2 THR 9 + H ASN 10 OK 100 100 100 100 4.1-4.2 4.0=100 QD1 LEU 14 - H ASN 10 far 0 99 0 - 6.6-6.9 QD2 LEU 90 - H ASN 10 far 0 61 0 - 7.5-8.3 QG2 VAL 107 - H ASN 10 far 0 99 0 - 7.5-8.0 QG2 ILE 15 - H ASN 10 far 0 73 0 - 7.8-8.3 QG2 VAL 117 - H ASN 10 far 0 100 0 - 9.4-9.9 HG13 ILE 57 - H ASN 10 far 0 99 0 - 9.9-10.9 Violated in 0 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 2.2-2.3 1859=80, 9128/9132=33...(6) H GLN 83 - H ASN 11 far 0 100 0 - 6.7-6.9 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 4 assignments used, quality = 1.00: * HB2 ASN 10 + H ASN 11 OK 100 100 100 100 3.3-4.2 4.4=100 HB2 ASN 8 - H ASN 11 far 0 77 0 - 8.0-8.8 HE3 LYS 16 - H ASN 11 far 0 99 0 - 8.7-11.6 HE2 LYS 16 - H ASN 11 far 0 99 0 - 9.2-12.5 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 3.4-4.5 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 2.1-2.1 7342=73 HA ASN 59 - H ASP 12 far 0 65 0 - 7.6-8.9 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 4.0-4.5 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 3.5-4.5 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 2.6-2.8 1861=100, 1081/61=58...(6) 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): 1 out of 2 assignments used, quality = 0.86: * HB2 ASP 12 + H GLU 13 OK 86 100 100 86 2.9-3.3 1081/1861=54, 4.6=40...(7) HB3 ASP 12 - H GLU 13 far 0 100 0 - 3.8-4.2 Violated in 0 structures by 0.00 A. Peak 61 from nnoeabs.peaks (2.64, 8.29, 119.33 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.86: HB2 ASP 12 + H GLU 13 OK 86 100 100 86 2.9-3.3 1081/1861=54, 4.6=40...(7) ! HB3 ASP 12 - H GLU 13 far 0 100 0 - 3.8-4.2 Violated in 0 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 2.5-2.7 1862=90, 1085/65=40...(11) 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 3.5-3.6 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 = 1.00: * HB2 GLU 13 + H LEU 14 OK 100 100 100 100 3.1-3.8 7349=99, 1.8/65=79...(6) Violated in 0 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 2.4-2.8 7350=70, 1.8/64=69...(5) Violated in 0 structures by 0.00 A. Peak 66 from nnoeabs.peaks (2.36, 7.58, 121.68 ppm; 5.14 A increased from 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 13 + H LEU 14 OK 100 100 100 100 4.7-5.0 7351=100, 2626/64=91...(6) Violated in 0 structures by 0.00 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 4.1-4.8 7352=96, 2633/65=90...(6) Violated in 0 structures by 0.00 A. Peak 68 from nnoeabs.peaks (7.58, 8.24, 119.48 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 14 + H ILE 15 OK 98 100 100 98 2.5-2.7 1863=86, 1091/71=37...(8) H LYS 17 - H ILE 15 far 0 98 0 - 3.8-4.0 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 3.5-3.5 3.6=100 HA LYS 17 - H ILE 15 far 0 97 0 - 6.5-6.8 HA GLU 111 - H ILE 15 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 70 from nnoeabs.peaks (1.82, 8.24, 119.48 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 14 + H ILE 15 OK 99 100 100 99 3.4-3.7 1.8/71=77, 1090/68=59...(8) HB ILE 18 - H ILE 15 far 0 100 0 - 5.0-5.4 HB3 LYS 19 - H ILE 15 far 0 90 0 - 6.5-6.8 HB ILE 57 - H ILE 15 far 0 100 0 - 7.6-8.1 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 2.9-3.2 1.8/70=70, 1091/68=59...(7) HD3 LYS 17 - H ILE 15 far 0 61 0 - 6.0-6.7 HG2 LYS 20 - H ILE 15 far 0 96 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 72 from nnoeabs.peaks (1.38, 8.24, 119.48 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.45: HG3 LYS 16 + H ILE 15 OK 45 65 95 73 3.6-4.6 5.0/1864=48, 9179/2.9=36 ! HG LEU 14 - H ILE 15 far 0 100 0 - 5.3-5.5 HB3 LEU 114 - H ILE 15 far 0 61 0 - 9.3-9.8 Violated in 2 structures by 0.02 A. Peak 73 from nnoeabs.peaks (0.86, 8.24, 119.48 ppm; 3.78 A increased from 3.18 A): 2 out of 8 assignments used, quality = 0.99: QG2 THR 9 + H ILE 15 OK 94 99 100 94 3.3-3.8 9125=54, 9116/1099=48...(7) QG2 ILE 15 + H ILE 15 OK 87 87 100 100 3.7-3.8 2.1/1097=81, 4.1=80...(10) ! QD1 LEU 14 - H ILE 15 far 0 100 0 - 4.6-4.7 QG2 ILE 57 - H ILE 15 far 0 61 0 - 4.7-5.2 HG13 ILE 57 - H ILE 15 far 0 100 0 - 6.9-7.8 QG2 VAL 117 - H ILE 15 far 0 98 0 - 7.8-8.4 QG2 VAL 22 - H ILE 15 far 0 99 0 - 8.1-8.9 QG2 VAL 107 - H ILE 15 far 0 94 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 74 from nnoeabs.peaks (0.76, 8.24, 119.48 ppm; 3.72 A increased from 3.31 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 15 + H ILE 15 OK 100 100 100 100 2.4-3.6 2713=86, 2.1/1099=74...(9) ! QD2 LEU 14 - H ILE 15 far 0 100 0 - 4.1-4.4 QG2 ILE 7 - H ILE 15 far 0 61 0 - 6.0-6.6 QD1 ILE 7 - H ILE 15 far 0 99 0 - 7.6-8.0 QG1 VAL 107 - H ILE 15 far 0 100 0 - 8.5-9.2 Violated in 0 structures by 0.00 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 2.6-3.0 1864=100, 1097/77=66...(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 4 assignments used, quality = 0.89: * HB ILE 15 + H LYS 16 OK 89 100 100 89 1.9-2.5 2.1/78=40, 1097/1864=32...(7) HB3 LYS 17 - H LYS 16 far 0 97 0 - 4.4-4.9 HB ILE 71 - H LEU 74 far 0 56 0 - 5.4-6.0 HB2 LEU 45 - H LEU 74 far 0 84 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 78 from nnoeabs.peaks (0.85, 7.60, 117.60 ppm; 3.53 A increased from 2.97 A): 1 out of 7 assignments used, quality = 0.99: * QG2 ILE 15 + H LYS 16 OK 99 100 100 99 3.1-3.5 2.1/77=85, 4.1=62...(8) QG2 THR 9 - H LYS 16 far 0 73 0 - 5.3-5.9 QG2 ILE 57 - H LYS 16 far 0 97 0 - 5.3-6.1 QD1 LEU 14 - H LYS 16 far 0 87 0 - 5.8-6.2 QG2 VAL 22 - H LYS 16 far 0 97 0 - 7.6-8.2 HG13 ILE 57 - H LYS 16 far 0 87 0 - 7.6-8.5 QG2 VAL 117 - H LYS 16 far 0 65 0 - 8.8-9.4 Violated in 1 structures by 0.00 A. Peak 79 from nnoeabs.peaks (1.73, 7.60, 117.60 ppm; 4.20 A increased from 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + H LYS 16 OK 100 100 100 100 3.6-4.0 2.9/77=88, 3.2/78=70...(7) Violated in 0 structures by 0.00 A. Peak 80 from nnoeabs.peaks (0.64, 7.60, 117.60 ppm; 4.99 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 15 + H LYS 16 OK 100 100 100 100 4.4-4.8 2.9/77=98, 1.8/79=95...(7) QD1 LEU 4 - H LEU 74 far 0 94 0 - 6.3-6.9 QD1 ILE 71 - H LEU 74 far 0 60 0 - 6.4-6.8 QG1 VAL 22 - H LYS 16 far 0 100 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 81 from nnoeabs.peaks (0.76, 7.60, 117.60 ppm; 4.31 A increased from 4.05 A): 1 out of 4 assignments used, quality = 0.90: * QD1 ILE 15 + H LYS 16 OK 90 100 90 100 4.0-4.4 3.2/77=85, 3.0/78=76...(8) QD1 LEU 45 - H LEU 74 far 0 86 0 - 5.7-7.0 QD2 LEU 14 - H LYS 16 far 0 100 0 - 5.8-6.5 QD1 ILE 7 - H LYS 16 far 0 100 0 - 8.5-9.1 Violated in 3 structures by 0.02 A. Peak 82 from nnoeabs.peaks (7.60, 7.58, 118.83 ppm; 2.82 A increased from 2.50 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 16 + H LYS 17 OK 99 100 100 99 2.4-2.8 1865=96, 1106/7368=29...(10) Violated in 0 structures by 0.00 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; 3.49 A increased from 3.28 A): 1 out of 5 assignments used, quality = 0.94: * HB2 LYS 16 + H LYS 17 OK 94 100 95 99 3.2-3.9 7366=93, 3.0/7368=47...(6) HB3 LYS 16 - H LYS 17 far 0 100 0 - 3.8-4.1 HB2 LYS 20 - H LYS 17 far 0 92 0 - 6.0-6.8 HB3 LYS 20 - H LYS 17 far 0 92 0 - 7.5-8.0 HB ILE 7 - H LYS 17 far 0 87 0 - 9.9-10.4 Violated in 3 structures by 0.02 A. Peak 85 from nnoeabs.peaks (1.88, 7.58, 118.83 ppm; 3.49 A increased from 3.28 A): 1 out of 5 assignments used, quality = 0.94: HB2 LYS 16 + H LYS 17 OK 94 100 95 99 3.2-3.9 7367=93, 3.0/7368=47...(6) ! HB3 LYS 16 - H LYS 17 far 0 100 0 - 3.8-4.1 HB2 LYS 20 - H LYS 17 far 0 94 0 - 6.0-6.8 HB3 LYS 20 - H LYS 17 far 0 94 0 - 7.5-8.0 HB ILE 7 - H LYS 17 far 0 90 0 - 9.9-10.4 Violated in 3 structures by 0.02 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 1.8-3.8 7368=100, 1106/82=87...(8) Violated in 0 structures by 0.00 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 1.8-3.1 7369=100, 1.8/7368=86...(11) QB ALA 113 - H LYS 17 far 0 81 0 - 6.7-7.5 HG LEU 14 - H LYS 17 far 0 65 0 - 7.1-7.4 HB3 LEU 114 - H LYS 17 far 0 100 0 - 7.5-8.0 Violated in 0 structures by 0.00 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 17 + H LYS 17 OK 99 99 100 100 3.6-4.2 2864/1116=75...(14) HD3 LYS 16 + H LYS 17 OK 60 100 60 100 2.8-4.9 2.9/7368=66, 2.9/7369=63...(11) * HD2 LYS 16 + H LYS 17 OK 35 100 35 100 2.9-4.4 2.9/7368=66, 2.9/7369=63...(10) HD3 LYS 20 - H LYS 17 far 0 100 0 - 5.6-8.7 HD2 LYS 20 - H LYS 17 far 0 100 0 - 6.3-8.2 Violated in 0 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 = 0.99: HD2 LYS 17 + H LYS 17 OK 96 96 100 100 3.6-4.2 3.0/1116=74...(14) * HD3 LYS 16 + H LYS 17 OK 60 100 60 99 2.8-4.9 2.9/7368=66, 2.9/7369=63...(11) HD2 LYS 16 + H LYS 17 OK 35 100 35 100 2.9-4.4 2.9/7368=66, 2.9/7369=63...(10) HD3 LYS 20 - H LYS 17 far 0 100 0 - 5.6-8.7 HD2 LYS 20 - H LYS 17 far 0 100 0 - 6.3-8.2 Violated in 0 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 = 0.97: * H LYS 17 + H ILE 18 OK 97 100 100 97 2.7-2.9 1866=84, 1115/95=42...(8) H LEU 14 - H ILE 18 far 0 98 0 - 5.6-5.9 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 94 97 100 97 3.3-3.8 2641/9185=53, 7979/95=48...(9) HA GLU 111 - H ILE 18 far 0 99 0 - 7.6-8.7 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 3.0-3.5 1.8/95=76, 4.6=58...(7) HB VAL 22 - H ILE 18 far 0 94 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 95 from nnoeabs.peaks (1.92, 8.79, 120.96 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LYS 17 + H ILE 18 OK 99 100 100 99 2.2-2.7 1.8/94=73, 1115/92=63...(8) HB ILE 15 - H ILE 18 far 0 97 0 - 5.4-6.1 Violated in 0 structures by 0.00 A. Peak 96 from nnoeabs.peaks (1.75, 8.79, 120.96 ppm; 3.24 A): 1 out of 4 assignments used, quality = 0.91: HG12 ILE 18 + H ILE 18 OK 91 92 100 99 2.1-2.5 2.9/1124=55, 2.1/1128=53...(13) ! HG2 LYS 17 - H ILE 18 far 0 100 0 - 4.2-4.6 HB2 LEU 114 - H ILE 18 far 0 57 0 - 6.7-7.4 HB2 LEU 55 - H ILE 18 far 0 98 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 97 from nnoeabs.peaks (1.43, 8.79, 120.96 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 17 + H ILE 18 OK 100 100 100 100 4.8-5.1 3.0/95=92, 3.0/94=92...(6) QB ALA 113 - H ILE 18 poor 15 61 25 - 5.0-6.2 HB3 GLN 83 - H ILE 18 far 0 94 0 - 9.5-10.1 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, 1124/7384=42...(7) H VAL 29 - H LYS 19 far 0 94 0 - 9.7-10.1 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 3.5-3.5 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 = 0.99: * HB ILE 18 + H LYS 19 OK 92 100 100 92 2.6-3.0 2.1/105=52, 1124/102=41...(7) HB3 LYS 19 + H LYS 19 OK 81 84 100 97 2.1-2.2 1.8/1131=56, 4.0=48...(10) HB2 LEU 14 - H LYS 19 far 0 100 0 - 6.5-6.9 HB ILE 57 - H LYS 19 far 0 100 0 - 7.3-8.0 QE MET 121 - H LYS 19 far 0 94 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 105 from nnoeabs.peaks (0.72, 8.53, 118.32 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.99: * QG2 ILE 18 + H LYS 19 OK 99 100 100 99 3.2-3.5 3.7=89, 2.1/7384=53...(8) QD1 ILE 57 - H LYS 19 far 0 90 0 - 3.7-4.4 HG13 ILE 18 - H LYS 19 far 0 90 0 - 5.0-5.1 QD2 LEU 55 - H LYS 19 far 0 65 0 - 5.3-5.9 QG1 VAL 117 - H LYS 19 far 0 100 0 - 6.2-7.1 QD2 LEU 81 - H LYS 19 far 0 87 0 - 8.2-8.9 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 1 assignment used, quality = 1.00: * QD1 ILE 18 + H LYS 19 OK 100 100 100 100 4.6-4.9 2920/105=89, 1128/102=77...(8) Violated in 1 structures by 0.00 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=47...(10) 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 1 assignment used, quality = 0.97: * HB2 LYS 19 + H LYS 20 OK 97 100 100 97 3.3-3.5 1.8/112=82, 4.4=49...(5) Violated in 1 structures by 0.00 A. Peak 112 from nnoeabs.peaks (1.83, 7.30, 116.28 ppm; 3.10 A increased from 2.92 A): 1 out of 5 assignments used, quality = 0.86: * HB3 LYS 19 + H LYS 20 OK 86 100 100 86 2.9-3.1 1.8/111=58, 7391=39...(4) HB ILE 18 - H LYS 20 far 0 84 0 - 5.0-5.2 QE MET 121 - H LYS 20 far 0 99 0 - 7.2-8.2 HB2 LEU 14 - H LYS 20 far 0 90 0 - 8.7-9.1 HB ILE 57 - H LYS 20 far 0 90 0 - 9.5-10.5 Violated in 0 structures by 0.00 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 5.0-5.2 5.0=100 Violated in 0 structures by 0.00 A. Peak 114 from nnoeabs.peaks (1.60, 7.30, 116.28 ppm; 5.09 A increased from 4.53 A): 1 out of 3 assignments used, quality = 0.95: * HG3 LYS 19 + H LYS 20 OK 95 100 95 100 4.8-5.3 5.0=100 HD2 LYS 19 - H LYS 20 far 5 100 5 - 5.0-6.6 HD3 LYS 19 - H LYS 20 far 5 100 5 - 5.2-6.6 Violated in 1 structures by 0.01 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 2.4-2.6 1869=100, 1142/122=65...(6) Violated in 0 structures by 0.00 A. Peak 120 from nnoeabs.peaks (4.09, 7.67, 118.49 ppm; 3.75 A increased from 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=100 Violated in 0 structures by 0.00 A. Peak 121 from nnoeabs.peaks (1.89, 7.67, 118.49 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.89: * HB2 LYS 20 + H GLU 21 OK 89 100 95 94 2.1-3.5 7400=72, 1142/1869=48...(4) HB3 LYS 20 - H GLU 21 far 0 100 0 - 3.5-3.9 HB3 ARG 118 - H GLU 21 far 0 61 0 - 7.5-10.5 HB2 LYS 16 - H GLU 21 far 0 92 0 - 7.5-8.9 HB3 LYS 16 - H GLU 21 far 0 94 0 - 7.8-9.2 Violated in 1 structures by 0.02 A. Peak 122 from nnoeabs.peaks (1.89, 7.67, 118.49 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.89: HB2 LYS 20 + H GLU 21 OK 89 100 95 94 2.1-3.5 7400=72, 1142/1869=48...(4) ! HB3 LYS 20 - H GLU 21 far 0 100 0 - 3.5-3.9 HB3 ARG 118 - H GLU 21 far 0 61 0 - 7.5-10.5 HB2 LYS 16 - H GLU 21 far 0 92 0 - 7.5-8.9 HB3 LYS 16 - H GLU 21 far 0 94 0 - 7.8-9.2 Violated in 1 structures by 0.02 A. Peak 123 from nnoeabs.peaks (1.51, 7.67, 118.49 ppm; 3.77 A increased from 3.17 A): 1 out of 2 assignments used, quality = 0.98: * HG2 LYS 20 + H GLU 21 OK 98 100 100 98 1.7-3.6 2.9/121=70, 3036/3.6=53...(5) HD3 LYS 17 - H GLU 21 far 0 90 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 124 from nnoeabs.peaks (1.48, 7.67, 118.49 ppm; 4.71 A increased from 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 20 + H GLU 21 OK 100 100 100 100 3.4-4.6 7402=100, 1.8/123=96...(5) HG3 ARG 118 - H GLU 21 far 0 97 0 - 6.7-11.5 HG12 ILE 57 - H GLU 21 far 0 73 0 - 10.0-10.8 Violated in 0 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 2.3-3.7 4.6=100 H VAL 22 - H TYR 27 far 0 70 0 - 6.2-7.3 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 2.5-3.6 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 2.4-3.6 3.6=100 HA VAL 22 + H TYR 27 OK 90 98 100 91 4.7-5.6 10862/3.9=73...(3) 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 = 0.83: * HA TYR 27 + H GLN 28 OK 83 100 100 83 2.1-2.2 3.6=70, 3.0/151=34 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 = 0.99: * HB2 TYR 27 + H GLN 28 OK 99 100 100 99 3.1-3.5 4.2=96, 3.0/150=78 Violated in 0 structures by 0.00 A. Peak 152 from nnoeabs.peaks (2.37, 8.34, 120.36 ppm; 4.43 A increased from 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 27 + H GLN 28 OK 100 100 100 100 4.1-4.5 4.2=100 HG2 GLN 25 - H GLN 28 far 0 92 0 - 9.2-10.4 Violated in 1 structures by 0.00 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 4.0-4.4 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 4.6-4.6 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 2.2-2.5 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 3.6-4.0 3.0/158=80, 4.6=66...(7) HG3 GLU 52 - H VAL 29 far 0 65 0 - 7.6-12.1 Violated in 0 structures by 0.00 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 2.3-4.3 3.0/158=88, 4.6=87...(8) HB2 LYS 19 - H VAL 29 far 0 99 0 - 7.3-8.3 Violated in 0 structures by 0.00 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 2.7-4.5 3.8/158=77, 3.0/159=71...(6) Violated in 1 structures by 0.00 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 3.3-4.9 1.8/161=89, 3.8/158=87...(5) Violated in 0 structures by 0.00 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 4.0-4.2 4.6=100 H ILE 5 - H ARG 30 far 0 90 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 166 from nnoeabs.peaks (5.04, 9.13, 127.79 ppm; 2.90 A): 1 out of 2 assignments used, quality = 0.84: * HA VAL 29 + H ARG 30 OK 84 100 100 84 2.2-2.2 7431=61, 3.2/169=35...(7) HA ILE 56 - H ARG 30 far 0 81 0 - 3.1-3.6 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 4 assignments used, quality = 1.00: * HB VAL 29 + H ARG 30 OK 100 100 100 100 4.4-4.5 4.4=100 HB3 GLU 41 - H ARG 30 far 0 99 0 - 7.0-7.9 HB2 GLU 41 - H ARG 30 far 0 100 0 - 7.8-8.9 HB3 GLU 52 - H ARG 30 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 168 from nnoeabs.peaks (0.90, 9.13, 127.79 ppm; 4.28 A increased from 4.03 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 29 + H ARG 30 OK 100 100 100 100 4.1-4.3 4.3=99, 2.1/169=90...(4) HG13 ILE 54 - H ARG 30 far 0 77 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 169 from nnoeabs.peaks (0.80, 9.13, 127.79 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.96: * QG1 VAL 29 + H ARG 30 OK 96 100 100 96 3.0-3.2 7434=77, 3.2/166=59...(4) Violated in 0 structures by 0.00 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 4.3-4.4 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 = 0.80: * HA ARG 30 + H ASP 31 OK 80 100 100 80 2.1-2.2 3.6=52, 3.0/172=33...(5) 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 = 0.97: * HB2 ARG 30 + H ASP 31 OK 97 100 100 97 2.9-3.6 3.0/171=72, 1.8/173=57...(6) Violated in 0 structures by 0.00 A. Peak 173 from nnoeabs.peaks (1.51, 8.38, 121.89 ppm; 4.36 A increased from 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + H ASP 31 OK 100 100 100 100 3.8-4.4 1.8/172=91, 3.0/171=88...(6) HG2 ARG 30 - H ASP 31 far 0 70 0 - 4.9-5.6 Violated in 3 structures by 0.01 A. Peak 174 from nnoeabs.peaks (1.50, 8.38, 121.89 ppm; 4.39 A increased from 3.91 A): 1 out of 2 assignments used, quality = 0.69: HB3 ARG 30 + H ASP 31 OK 69 70 100 100 3.8-4.4 1.8/172=91, 3.0/171=88...(6) ! HG2 ARG 30 - H ASP 31 far 0 100 0 - 4.9-5.6 Violated in 2 structures by 0.00 A. Peak 175 from nnoeabs.peaks (1.45, 8.38, 121.89 ppm; 4.12 A): 0 out of 4 assignments used, quality = 0.00: ! HG3 ARG 30 - H ASP 31 far 10 100 10 - 4.1-5.6 HG12 ILE 57 - H ASP 31 far 0 96 0 - 5.9-7.3 HG3 LYS 44 - H ASP 31 far 0 81 0 - 8.9-10.7 HB3 LEU 38 - H ASP 31 far 0 94 0 - 9.3-9.9 Violated in 18 structures by 0.79 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 3.6-6.2 1.8/177=96, 3.6/172=96...(4) Violated in 2 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 3.9-5.4 3.6/172=86, 3.6/173=77...(5) HE2 LYS 44 - H ASP 31 far 0 100 0 - 9.0-14.3 HE3 LYS 44 - H ASP 31 far 0 100 0 - 10.0-13.7 Violated in 2 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 = 0.90: * HA ASP 31 + H VAL 32 OK 90 100 100 90 2.1-2.3 7442=66, 3.0/181=32...(8) Violated in 0 structures by 0.00 A. Peak 180 from nnoeabs.peaks (2.47, 8.44, 120.43 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.85: * HB2 ASP 31 + H VAL 32 OK 85 100 90 95 3.0-3.8 3.0/179=70, 4.5=56...(7) HB3 ASP 31 - H VAL 32 far 5 100 5 - 3.2-4.4 HG3 GLU 41 - H VAL 32 far 0 96 0 - 5.5-8.4 Violated in 3 structures by 0.02 A. Peak 181 from nnoeabs.peaks (2.47, 8.44, 120.43 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.85: HB2 ASP 31 + H VAL 32 OK 85 100 90 95 3.0-3.8 3.0/179=70, 4.5=56...(7) ! HB3 ASP 31 - H VAL 32 far 5 100 5 - 3.2-4.4 HG3 GLU 41 - H VAL 32 far 0 94 0 - 5.5-8.4 Violated in 3 structures by 0.02 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...(11) HA GLU 41 - H ASN 33 far 0 77 0 - 9.8-10.4 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 4.2-4.4 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 1 assignment used, quality = 1.00: * QG1 VAL 32 + H ASN 33 OK 100 100 100 100 2.6-2.9 7447=71, 3.2/183=68...(12) Violated in 0 structures by 0.00 A. Peak 186 from nnoeabs.peaks (0.76, 9.55, 122.70 ppm; 4.28 A increased from 3.81 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 32 + H ASN 33 OK 100 100 100 100 4.0-4.2 4.4=94, 2.1/185=84...(11) QD1 ILE 15 - H ASN 33 far 0 100 0 - 7.9-9.5 Violated in 0 structures by 0.00 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 2.0-2.1 1878=91, 183/9322=36...(9) 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 3.2-3.3 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): 1 out of 2 assignments used, quality = 0.94: HB2 ASP 34 + H ASP 34 OK 94 100 100 94 2.6-3.4 4.0=79, 11349/9320=34...(6) ! HB2 ASN 33 - H ASP 34 far 0 100 0 - 4.1-4.5 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 = 0.86: * HB3 ASN 33 + H ASP 34 OK 86 100 100 86 3.6-3.9 1211/187=66, 4.6=59 Violated in 1 structures by 0.00 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 4.4-4.4 4.5=100 H LEU 64 - H SER 35 far 0 92 0 - 8.8-9.3 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 2.3-2.4 3.6=79, 3.0/196=47...(7) Violated in 0 structures by 0.00 A. Peak 195 from nnoeabs.peaks (2.91, 8.87, 114.38 ppm; 4.27 A increased from 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 34 + H SER 35 OK 100 100 100 100 3.7-4.2 7453=92, 1.8/196=92...(7) HB2 ASN 33 - H SER 35 far 0 100 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. Peak 196 from nnoeabs.peaks (3.09, 8.87, 114.38 ppm; 3.58 A increased from 3.37 A): 1 out of 1 assignment used, quality = 0.87: * HB3 ASP 34 + H SER 35 OK 87 100 90 97 2.6-3.7 7454=71, 3.0/194=59...(5) Violated in 3 structures by 0.01 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 2.7-2.9 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): 1 out of 2 assignments used, quality = 1.00: * HA SER 35 + H ASP 36 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 37 - H ASP 36 far 0 84 0 - 5.3-5.4 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 2.4-4.0 1.8/200=73, 4.4=72...(4) HA LEU 38 - H ASP 36 far 0 96 0 - 6.9-7.1 Violated in 0 structures by 0.00 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 3.3-4.0 1.8/199=78, 4.4=77...(4) Violated in 0 structures by 0.00 A. Peak 201 from nnoeabs.peaks (8.39, 9.01, 122.45 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 36 + H GLU 37 OK 100 100 100 100 2.7-2.9 1881=100, 1224/203=41...(10) H ASP 31 - H GLU 37 far 0 90 0 - 9.8-10.3 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 = 0.97: * HB2 ASP 36 + H GLU 37 OK 97 100 100 97 2.6-3.0 7459=77, 1.8/204=65...(5) Violated in 0 structures by 0.00 A. Peak 204 from nnoeabs.peaks (2.66, 9.01, 122.45 ppm; 3.80 A increased from 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 36 + H GLU 37 OK 100 100 100 100 3.3-3.8 7460=98, 1.8/203=81...(4) HG2 MET 42 - H GLU 37 far 0 98 0 - 8.2-9.5 Violated in 1 structures by 0.00 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 2.4-2.6 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 3.5-3.6 3.6=100 HA SER 35 + H LEU 38 OK 83 84 100 99 3.1-3.3 8028=51, 8029/1234=41...(13) 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 3.2-3.8 1.8/208=92, 4.7=85...(8) 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 4 assignments used, quality = 0.99: * HB3 GLU 37 + H LEU 38 OK 99 100 100 99 2.6-2.8 1229/1882=55, 1.8/207=55...(10) HG3 GLU 66 - H LEU 38 far 0 87 0 - 7.4-8.1 HB2 MET 42 - H LEU 38 far 0 73 0 - 8.2-9.1 HB3 GLN 62 - H LEU 38 far 0 96 0 - 8.8-9.3 Violated in 0 structures by 0.00 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 4.5-5.1 3.0/208=97, 3505/3.6=95...(8) HG3 GLU 41 + H LEU 38 OK 41 70 60 99 4.8-6.4 9301/9283=71, ~8052=56...(8) 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 4.4-5.1 7465=97, 3.0/208=95...(10) HB2 ASP 60 - H LEU 38 far 0 97 0 - 8.0-8.9 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 2.7-2.9 1883=100, 1234/213=55...(15) Violated in 0 structures by 0.00 A. Peak 212 from nnoeabs.peaks (3.91, 7.83, 118.40 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + H LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 35 - H LYS 39 far 0 96 0 - 5.4-6.3 HA LEU 64 - H LYS 39 far 0 99 0 - 9.8-10.2 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 2.5-2.8 3.1/216=53, 1234/1883=48...(13) HG2 GLU 41 - H LYS 39 far 0 61 0 - 4.4-6.5 HB3 GLU 92 - H ILE 97 far 0 86 0 - 7.6-8.7 HB2 GLU 91 - H ILE 97 far 0 77 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 214 from nnoeabs.peaks (1.46, 7.83, 118.40 ppm; 4.10 A increased from 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 38 + H LYS 39 OK 100 100 100 100 3.9-4.1 1.8/213=89, 4.6=70...(13) HG2 LYS 39 + H LYS 39 OK 99 99 100 100 2.7-4.1 1.8/1244=90, 3588=88...(14) HG2 LYS 106 - H ILE 97 far 0 92 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 215 from nnoeabs.peaks (1.52, 7.83, 118.40 ppm; 4.40 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 38 + H LYS 39 OK 100 100 100 100 3.4-3.7 2.1/216=91, 3.0/213=78...(11) HD2 LYS 94 - H ILE 97 far 0 62 0 - 5.2-7.7 HD3 LYS 94 - H ILE 97 far 0 62 0 - 5.4-7.8 HG2 LYS 43 - H LYS 39 far 0 96 0 - 5.9-6.8 HB2 LYS 61 - H ILE 97 far 0 90 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 216 from nnoeabs.peaks (0.89, 7.83, 118.40 ppm; 3.48 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 38 + H LYS 39 OK 100 100 100 100 2.0-2.5 7470=56, 3.1/213=51...(14) QG2 VAL 104 - H ILE 97 far 0 89 0 - 3.9-4.4 QD1 LEU 70 - H LYS 39 far 0 70 0 - 4.4-5.0 QD2 LEU 70 - H LYS 39 far 0 81 0 - 5.7-6.5 QD1 LEU 90 - H ILE 97 far 0 68 0 - 6.6-7.0 QD2 LEU 90 - H ILE 97 far 0 86 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 217 from nnoeabs.peaks (0.96, 7.83, 118.40 ppm; 4.70 A increased from 3.96 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 38 + H LYS 39 OK 100 100 100 100 4.3-4.6 2.1/216=96, 4.8=96...(12) HG13 ILE 56 - H LYS 39 far 0 99 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 218 from nnoeabs.peaks (7.83, 7.78, 119.27 ppm; 2.71 A increased from 2.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 40 OK 100 100 100 100 2.4-2.7 1884=100, 3568/220=41...(8) Violated in 1 structures by 0.00 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): 1 out of 7 assignments used, quality = 0.42: HB3 LYS 39 + H LYS 40 OK 42 81 60 86 2.4-3.5 7473=47, 3568/1884=43...(8) HB3 LYS 40 - H LYS 40 far 0 90 0 - 3.1-3.6 ! HB2 LYS 39 - H LYS 40 far 0 100 0 - 3.7-4.2 HB3 MET 42 - H LYS 40 far 0 73 0 - 4.6-5.5 HB2 GLU 41 - H LYS 40 far 0 73 0 - 4.6-5.1 HB3 GLU 41 - H LYS 40 far 0 77 0 - 6.1-6.4 HB2 LEU 70 - H LYS 40 far 0 96 0 - 9.1-9.9 Violated in 9 structures by 0.24 A. Peak 221 from nnoeabs.peaks (1.95, 7.78, 119.27 ppm; 2.67 A): 1 out of 7 assignments used, quality = 0.45: * HB3 LYS 39 + H LYS 40 OK 45 100 55 81 2.4-3.5 7474=40, 1242/1884=39...(7) HB3 LYS 40 - H LYS 40 far 0 100 0 - 3.1-3.6 HB2 LYS 39 - H LYS 40 far 0 81 0 - 3.7-4.2 HB3 MET 42 - H LYS 40 far 0 100 0 - 4.6-5.5 HB2 GLU 41 - H LYS 40 far 0 100 0 - 4.6-5.1 HB3 GLU 41 - H LYS 40 far 0 100 0 - 6.1-6.4 HB2 LEU 70 - H LYS 40 far 0 98 0 - 9.1-9.9 Violated in 14 structures by 0.30 A. Peak 222 from nnoeabs.peaks (1.46, 7.78, 119.27 ppm; 4.97 A increased from 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 40 OK 100 100 100 100 2.8-4.9 7475=100, 2.9/221=99...(10) HB3 LEU 38 - H LYS 40 far 0 99 0 - 5.7-6.2 HG3 LYS 44 - H LYS 40 far 0 61 0 - 6.9-8.3 HG3 ARG 30 - H LYS 40 far 0 99 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 223 from nnoeabs.peaks (1.70, 7.78, 119.27 ppm; 4.05 A increased from 3.60 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 40 OK 100 100 100 100 1.9-3.9 2.9/1252=86...(8) HD3 LYS 39 - H LYS 40 far 10 98 10 - 4.1-6.1 HD2 LYS 40 - H LYS 40 far 7 70 10 - 2.2-5.0 HD3 LYS 40 - H LYS 40 far 7 65 10 - 3.7-5.4 HD2 LYS 39 - H LYS 40 far 0 97 0 - 4.3-6.1 HD3 LYS 43 - H LYS 40 far 0 77 0 - 6.0-7.9 HD3 LYS 44 - H LYS 40 far 0 99 0 - 8.1-10.6 HD2 LYS 44 - H LYS 40 far 0 100 0 - 9.0-10.6 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 = 0.99: * H LYS 40 + H GLU 41 OK 99 100 100 99 2.5-2.9 1885=92, 1251/230=60...(10) 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 3.5-3.6 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 = 0.89: * HB2 LYS 40 + H GLU 41 OK 89 100 100 89 2.5-3.0 1251/228=50, 1.8/7483=39...(5) Violated in 0 structures by 0.00 A. Peak 231 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 1 out of 7 assignments used, quality = 0.81: HB2 GLU 41 + H GLU 41 OK 81 99 100 82 2.2-2.5 4.0=38, 3.0/1263=34...(5) ! HB3 LYS 40 - H GLU 41 far 5 100 5 - 3.0-4.0 HB3 GLU 41 - H GLU 41 far 0 99 0 - 3.5-3.6 HB3 MET 42 - H GLU 41 far 0 99 0 - 4.4-4.9 HB3 LYS 39 - H GLU 41 far 0 100 0 - 4.8-5.7 HB2 LYS 39 - H GLU 41 far 0 90 0 - 5.4-6.2 HB2 LEU 70 - H GLU 41 far 0 100 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 232 from nnoeabs.peaks (1.38, 8.72, 119.65 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + H GLU 41 OK 100 100 100 100 3.5-5.2 5.0=100 HG3 LYS 43 - H GLU 41 far 5 94 5 - 4.7-7.0 Violated in 0 structures by 0.00 A. Peak 233 from nnoeabs.peaks (1.62, 8.72, 119.65 ppm; 5.02 A increased from 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + H GLU 41 OK 100 100 100 100 2.8-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 235 from nnoeabs.peaks (1.68, 8.72, 119.65 ppm; 5.62 A increased from 4.73 A): 2 out of 8 assignments used, quality = 1.00: HD2 LYS 40 + H GLU 41 OK 100 100 100 100 4.5-5.6 7487=100, 3665/230=99...(6) HG3 LYS 39 + H GLU 41 OK 22 65 35 96 4.5-6.2 1256/228=90, 3.8/8055=55 ! HD3 LYS 40 - H GLU 41 far 5 100 5 - 4.9-6.6 HD2 LYS 43 - H GLU 41 far 0 100 0 - 6.4-8.5 HD3 LYS 43 - H GLU 41 far 0 100 0 - 6.9-8.3 HB ILE 56 - H GLU 41 far 0 96 0 - 9.2-10.3 HB ILE 54 - H GLU 41 far 0 100 0 - 9.4-10.7 HG12 ILE 71 - H GLU 41 far 0 84 0 - 9.5-11.0 Violated in 0 structures by 0.00 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 2.4-2.8 1886=100, 1262/4.7=39...(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 - 8.4-9.0 HA ALA 46 - H MET 42 far 0 90 0 - 9.4-9.8 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 7 assignments used, quality = 1.00: HB3 MET 42 + H MET 42 OK 99 100 100 99 2.2-2.6 1.8/1267=62, 3.9=58...(8) * HB2 GLU 41 + H MET 42 OK 56 100 65 85 2.5-3.9 1261/1886=49, 4.7=36...(8) HB3 GLU 41 + H MET 42 OK 28 100 35 81 3.3-4.1 4.7=36, 4.0/1886=35...(9) HB2 LYS 39 - H MET 42 far 0 73 0 - 5.0-5.7 HB3 LYS 40 - H MET 42 far 0 99 0 - 5.2-5.7 HB3 LYS 39 - H MET 42 far 0 100 0 - 5.3-5.9 HB2 LEU 70 - H MET 42 far 0 96 0 - 6.3-7.2 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 7 assignments used, quality = 1.00: HB3 MET 42 + H MET 42 OK 99 100 100 99 2.2-2.6 1.8/1267=62, 3.9=58...(8) HB2 GLU 41 + H MET 42 OK 56 100 65 85 2.5-3.9 1262/1886=49, 4.7=36...(8) * HB3 GLU 41 + H MET 42 OK 28 100 35 81 3.3-4.1 4.7=36, 4.0/1886=35...(9) HB2 LYS 39 - H MET 42 far 0 77 0 - 5.0-5.7 HB3 LYS 40 - H MET 42 far 0 99 0 - 5.2-5.7 HB3 LYS 39 - H MET 42 far 0 100 0 - 5.3-5.9 HB2 LEU 70 - H MET 42 far 0 97 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 242 from nnoeabs.peaks (2.13, 8.78, 118.11 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.98: * HG2 GLU 41 + H MET 42 OK 98 100 100 98 2.5-4.9 1263/1886=80, 7493=52...(8) HB2 LEU 38 - H MET 42 far 0 61 0 - 6.0-6.3 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 1.9-5.0 1.8/242=99, 1264/1886=95...(7) HG2 GLU 37 - H MET 42 far 0 70 0 - 7.7-8.9 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 2.6-2.8 1887=94, 3.9/247=41...(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 3.5-3.6 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 4 assignments used, quality = 1.00: * HB2 MET 42 + H LYS 43 OK 100 100 100 100 3.2-3.9 1.8/247=96, 4.6=68...(6) HG2 GLU 48 - H LYS 43 far 0 90 0 - 8.6-13.2 HB2 MET 67 - H LYS 43 far 0 87 0 - 9.3-10.2 HB3 GLU 37 - H LYS 43 far 0 73 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 247 from nnoeabs.peaks (1.95, 7.50, 120.74 ppm; 3.10 A increased from 2.92 A): 1 out of 7 assignments used, quality = 0.83: * HB3 MET 42 + H LYS 43 OK 83 100 100 83 2.6-2.9 1.8/246=42, 3.9/244=33...(6) HB2 LYS 39 - H LYS 43 far 0 73 0 - 4.6-5.6 HB2 GLU 41 - H LYS 43 far 0 100 0 - 4.7-6.0 HB3 GLU 41 - H LYS 43 far 0 100 0 - 5.1-6.0 HB3 LYS 39 - H LYS 43 far 0 100 0 - 5.2-6.4 HB3 LYS 40 - H LYS 43 far 0 99 0 - 5.3-5.9 HB2 LEU 70 - H LYS 43 far 0 96 0 - 7.2-8.1 Violated in 0 structures by 0.00 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 4.0-4.9 3.0/247=99, 1269/244=93...(5) HB3 ASP 36 - H LYS 43 far 0 98 0 - 9.4-10.6 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 4.7-5.3 3.0/247=100, 3.0/246=97...(5) HE2 LYS 2 - H LYS 43 far 0 100 0 - 8.7-10.8 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 2.5-2.8 1888=100, 1274/4.7=27...(7) Violated in 0 structures by 0.00 A. Peak 252 from nnoeabs.peaks (4.09, 7.45, 118.27 ppm; 3.60 A increased from 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 43 + H LYS 44 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 253 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 2 out of 6 assignments used, quality = 0.97: HB2 LYS 44 + H LYS 44 OK 94 99 100 94 2.2-2.6 3910=36, 2.9/1286=34...(18) * HB2 LYS 43 + H LYS 44 OK 58 100 85 68 2.6-3.0 1274/1888=43, 7503=30...(4) HB3 LYS 43 - H LYS 44 far 0 98 0 - 3.3-3.8 HB3 LYS 44 - H LYS 44 far 0 100 0 - 3.5-3.6 HB2 LEU 45 - H LYS 44 far 0 100 0 - 5.1-5.2 HB2 LYS 49 - H LYS 44 far 0 96 0 - 6.3-13.3 Violated in 0 structures by 0.00 A. Peak 254 from nnoeabs.peaks (1.90, 7.45, 118.27 ppm; 2.72 A): 2 out of 7 assignments used, quality = 0.94: HB2 LYS 44 + H LYS 44 OK 87 92 100 94 2.2-2.6 3920=34, 2.9/1286=34...(18) HB2 LYS 43 + H LYS 44 OK 57 98 85 68 2.6-3.0 1275/1888=43, 7503=31...(4) ! HB3 LYS 43 - H LYS 44 far 0 100 0 - 3.3-3.8 HB3 LYS 44 - H LYS 44 far 0 99 0 - 3.5-3.6 HG LEU 45 - H LYS 44 far 0 61 0 - 3.8-4.0 HB2 LEU 45 - H LYS 44 far 0 100 0 - 5.1-5.2 HB2 LYS 49 - H LYS 44 far 0 100 0 - 6.3-13.3 Violated in 0 structures by 0.00 A. Peak 256 from nnoeabs.peaks (1.37, 7.45, 118.27 ppm; 5.19 A increased from 4.37 A): 1 out of 2 assignments used, quality = 0.99: * HG3 LYS 43 + H LYS 44 OK 99 100 100 99 4.2-5.0 1277/1888=85, 7505=76...(4) HG2 LYS 40 - H LYS 44 far 0 94 0 - 6.5-8.2 Violated in 0 structures by 0.00 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 2.6-2.8 1889=100, 1286/265=32...(11) 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 1 assignment used, quality = 1.00: * HA LYS 44 + H LEU 45 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 263 from nnoeabs.peaks (1.91, 8.16, 117.78 ppm; 2.89 A increased from 2.72 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 45 + H LEU 45 OK 94 97 100 97 2.7-2.8 1.8/1295=47, 3997=38...(12) * HB2 LYS 44 + H LEU 45 OK 77 100 95 81 2.6-3.8 7511=28, 4.0/1889=27...(10) HB3 LYS 44 - H LEU 45 far 0 99 0 - 3.6-4.2 HB2 LYS 43 - H LEU 45 far 0 99 0 - 4.9-5.2 HB3 LYS 43 - H LEU 45 far 0 92 0 - 5.1-5.7 HB2 LYS 49 - H LEU 45 far 0 87 0 - 5.4-11.6 HB2 LYS 73 - H LEU 45 far 0 73 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 264 from nnoeabs.peaks (1.91, 8.16, 117.78 ppm; 2.89 A increased from 2.72 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 45 + H LEU 45 OK 97 100 100 98 2.7-2.8 1.8/1295=47, 3997=40...(12) HB2 LYS 44 + H LEU 45 OK 76 99 95 80 2.6-3.8 7511=28, 4.0/1889=27...(10) ! HB3 LYS 44 - H LEU 45 far 0 100 0 - 3.6-4.2 HB2 LYS 43 - H LEU 45 far 0 100 0 - 4.9-5.2 HB3 LYS 43 - H LEU 45 far 0 99 0 - 5.1-5.7 HB2 LYS 49 - H LEU 45 far 0 97 0 - 5.4-11.6 HB2 LYS 73 - H LEU 45 far 0 90 0 - 9.9-13.1 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 2 assignments used, quality = 1.00: * HG2 LYS 44 + H LEU 45 OK 100 100 100 100 2.3-4.5 1286/1889=77...(11) HB3 LEU 70 - H LEU 45 far 0 87 0 - 7.6-8.5 Violated in 2 structures by 0.00 A. Peak 266 from nnoeabs.peaks (1.44, 8.16, 117.78 ppm; 5.13 A increased from 4.32 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 44 + H LEU 45 OK 100 100 100 100 4.0-4.9 1.8/265=93, 1287/1889=83...(10) HG3 ARG 30 - H LEU 45 far 0 81 0 - 6.9-10.7 HG LEU 4 - H LEU 45 far 0 84 0 - 8.6-9.6 HG12 ILE 56 - H LEU 45 far 0 90 0 - 8.6-9.9 HB3 LEU 4 - H LEU 45 far 0 100 0 - 8.8-9.8 HG2 LYS 39 - H LEU 45 far 0 61 0 - 8.8-10.8 HB2 LEU 4 - H LEU 45 far 0 100 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 267 from nnoeabs.peaks (1.70, 8.16, 117.78 ppm; 5.88 A increased from 5.23 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 44 + H LEU 45 OK 100 100 100 100 4.0-5.8 3952/4.7=93, 2.9/265=93...(7) HD3 LYS 44 + H LEU 45 OK 35 100 35 100 4.0-6.5 3954/265=97, 2.9/266=84...(7) HD3 LYS 43 - H LEU 45 far 0 70 0 - 6.2-7.8 HB ILE 54 - H LEU 45 far 0 61 0 - 6.7-8.1 HG LEU 74 - H LEU 45 far 0 100 0 - 7.4-8.2 HG12 ILE 71 - H LEU 45 far 0 97 0 - 8.4-9.4 HD2 LYS 40 - H LEU 45 far 0 61 0 - 8.5-10.5 HD3 LYS 73 - H LEU 45 far 0 70 0 - 8.9-14.8 HG3 LYS 39 - H LEU 45 far 0 100 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 268 from nnoeabs.peaks (1.70, 8.16, 117.78 ppm; 5.88 A increased from 5.23 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 44 + H LEU 45 OK 100 100 100 100 4.0-5.8 3952/4.7=93, 2.9/265=93...(7) * HD3 LYS 44 + H LEU 45 OK 35 100 35 100 4.0-6.5 3954/265=97, 2.9/266=84...(7) HD3 LYS 43 - H LEU 45 far 0 61 0 - 6.2-7.8 HG LEU 74 - H LEU 45 far 0 100 0 - 7.4-8.2 HG12 ILE 71 - H LEU 45 far 0 94 0 - 8.4-9.4 HD3 LYS 73 - H LEU 45 far 0 61 0 - 8.9-14.8 HG3 LYS 39 - H LEU 45 far 0 99 0 - 9.6-11.2 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 2.6-2.9 1890=100, 1296/275=45...(11) Violated in 0 structures by 0.00 A. Peak 272 from nnoeabs.peaks (4.15, 7.64, 118.54 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 45 + H ALA 46 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 70 - H GLU 69 far 0 53 0 - 5.3-5.5 HA LEU 63 - H GLU 69 far 0 51 0 - 8.1-8.4 HA LEU 70 - H ALA 46 far 0 84 0 - 8.8-10.1 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 12 assignments used, quality = 0.97: * HB2 LEU 45 + H ALA 46 OK 97 100 100 97 2.2-2.6 1.8/274=48, 4.3=44...(9) HB ILE 71 - H GLU 69 far 0 65 0 - 5.1-5.3 HB2 LYS 44 - H ALA 46 far 0 97 0 - 5.1-6.1 HB3 LYS 43 - H ALA 46 far 0 100 0 - 5.2-5.5 HB2 LYS 49 - H ALA 46 far 0 99 0 - 5.3-10.6 HB2 LYS 43 - H ALA 46 far 0 100 0 - 5.6-6.0 HB3 LYS 44 - H ALA 46 far 0 100 0 - 5.6-6.3 HB2 LYS 73 - H GLU 69 far 0 63 0 - 7.8-8.9 HB2 LYS 73 - H ALA 46 far 0 94 0 - 8.4-11.3 HB3 LYS 73 - H GLU 69 far 0 61 0 - 9.3-9.8 HB3 LYS 73 - H ALA 46 far 0 92 0 - 9.5-11.4 HB2 LYS 96 - H GLU 69 far 0 71 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 274 from nnoeabs.peaks (1.49, 7.64, 118.54 ppm; 4.07 A increased from 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 45 + H ALA 46 OK 100 100 100 100 3.5-3.9 1.8/273=93, 4.3=85...(8) HG3 LYS 73 - H GLU 69 far 0 65 0 - 6.6-7.9 HG3 LYS 73 - H ALA 46 far 0 96 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 275 from nnoeabs.peaks (1.88, 7.64, 118.54 ppm; 3.98 A increased from 3.35 A): 1 out of 14 assignments used, quality = 1.00: * HG LEU 45 + H ALA 46 OK 100 100 100 100 3.8-3.8 1296/1890=72...(9) HB ILE 71 - H GLU 69 far 0 51 0 - 5.1-5.3 HB3 LYS 43 - H ALA 46 far 0 61 0 - 5.2-5.5 HB2 LYS 49 - H ALA 46 far 0 70 0 - 5.3-10.6 QE MET 42 - H ALA 46 far 0 73 0 - 5.8-6.6 QE MET 42 - H GLU 69 far 0 45 0 - 5.8-6.5 QE MET 67 - H GLU 69 far 0 71 0 - 6.9-7.3 HB2 LYS 73 - H GLU 69 far 0 53 0 - 7.8-8.9 HB2 LYS 73 - H ALA 46 far 0 84 0 - 8.4-11.3 QE MET 67 - H ALA 46 far 0 100 0 - 9.1-10.8 HB3 LYS 73 - H GLU 69 far 0 56 0 - 9.3-9.8 HB3 LYS 73 - H ALA 46 far 0 87 0 - 9.5-11.4 HB2 LYS 96 - H GLU 69 far 0 37 0 - 9.7-12.4 HB2 LEU 63 - H GLU 69 far 0 58 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 276 from nnoeabs.peaks (0.75, 7.64, 118.54 ppm; 4.48 A increased from 4.21 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 45 + H ALA 46 OK 100 100 100 100 4.1-4.5 7523=99, 4020/273=85...(8) QD2 LEU 6 - H GLU 69 far 0 37 0 - 6.2-7.1 QG2 ILE 54 - H ALA 46 far 0 96 0 - 7.4-9.3 QD1 LEU 45 - H GLU 69 far 0 72 0 - 8.4-9.2 QD1 LEU 63 - H GLU 69 far 0 53 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 277 from nnoeabs.peaks (0.72, 7.64, 118.54 ppm; 4.57 A increased from 4.30 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 45 + H ALA 46 OK 100 100 100 100 4.3-4.4 2.1/275=86, 3.1/273=84...(9) QD2 LEU 6 - H GLU 69 far 0 61 0 - 6.2-7.1 QD1 LEU 6 - H GLU 69 far 0 61 0 - 7.0-7.2 QG2 VAL 78 - H GLU 69 far 0 72 0 - 7.4-8.1 QD2 LEU 63 - H GLU 69 far 0 45 0 - 8.2-8.9 QG2 VAL 78 - H ALA 46 far 0 100 0 - 9.1-9.6 QD1 LEU 63 - H GLU 69 far 0 45 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 278 from nnoeabs.peaks (7.64, 7.71, 115.49 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.91: * H ALA 46 + H GLU 47 OK 91 100 100 91 2.2-2.6 1891=59, 1301/280=54...(5) HD21 ASN 50 - H GLU 47 far 0 99 0 - 7.7-12.3 Violated in 0 structures by 0.00 A. Peak 279 from nnoeabs.peaks (4.25, 7.71, 115.49 ppm; 3.26 A): 1 out of 3 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 far 15 100 15 - 3.3-3.5 HA GLU 41 - H GLU 47 far 0 90 0 - 7.7-8.3 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 = 0.97: * QB ALA 46 + H GLU 47 OK 97 100 100 97 2.9-3.2 7526=84, 1301/278=57...(5) 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 2.2-2.5 1892=88, 1305/284=19...(4) Violated in 2 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 29 100 40 73 3.5-4.7 3.6/281=72, 2066/11318=2 HA GLU 41 - H GLU 48 far 0 84 0 - 8.1-10.1 HA GLU 52 - H GLU 48 far 0 96 0 - 9.5-13.1 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 = 0.99: * HB2 GLU 47 + H GLU 48 OK 97 100 100 97 2.7-3.4 1304/281=73, 1.8/284=68, 7528=64 HB2 GLU 48 + H GLU 48 OK 59 73 90 90 2.3-3.9 4.1=74, 3.0/4086=38, 3.0/1313=36 HB3 GLU 48 + H GLU 48 OK 59 73 90 90 2.4-3.9 4.1=74, 3.0/4086=38, 3.0/1313=36 HG3 GLU 52 - H GLU 48 far 0 87 0 - 8.4-13.4 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 = 0.98: * HB3 GLU 47 + H GLU 48 OK 98 100 100 98 3.3-3.8 7529=83, 1305/281=72 HG2 GLU 52 - H GLU 48 far 0 92 0 - 7.4-13.1 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 2.1-3.6 3.6=100 HA MET 42 - H LYS 49 far 0 92 0 - 8.9-12.5 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 6 assignments used, quality = 1.00: * HB2 LYS 49 + H ASN 50 OK 100 100 100 100 2.6-4.5 4.4=100 HB3 LYS 44 - H ASN 50 far 0 97 0 - 5.0-11.4 HB2 LYS 44 - H ASN 50 far 0 87 0 - 6.1-12.1 HB2 LEU 45 - H ASN 50 far 0 99 0 - 6.8-10.9 HG LEU 45 - H ASN 50 far 0 70 0 - 7.4-11.9 HB3 LYS 43 - H ASN 50 far 0 100 0 - 9.7-14.2 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 2.3-4.6 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 = 0.90: * HA ASN 50 + H PHE 51 OK 90 100 100 90 2.1-3.1 3.6=85, 3.0/306=20, 3.0/305=19 Violated in 0 structures by 0.00 A. Peak 305 from nnoeabs.peaks (2.71, 8.34, 120.70 ppm; 4.25 A increased from 3.78 A): 2 out of 3 assignments used, quality = 0.99: HB3 ASN 50 + H PHE 51 OK 95 100 100 95 2.1-4.3 4.6=78, 3.0/304=76 * HB2 ASN 50 + H PHE 51 OK 90 100 95 95 2.3-4.5 4.6=78, 3.0/304=76 HE3 LYS 53 - H PHE 51 far 0 90 0 - 7.4-11.3 Violated in 0 structures by 0.00 A. Peak 306 from nnoeabs.peaks (2.71, 8.34, 120.70 ppm; 4.25 A increased from 3.78 A): 2 out of 3 assignments used, quality = 0.99: * HB3 ASN 50 + H PHE 51 OK 95 100 100 95 2.1-4.3 4.6=78, 3.0/304=76 HB2 ASN 50 + H PHE 51 OK 90 100 95 95 2.3-4.5 4.6=78, 3.0/304=76 HE3 LYS 53 - H PHE 51 far 0 92 0 - 7.4-11.3 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 1 assignment used, quality = 0.95: * HA GLU 52 + H LYS 53 OK 95 100 100 95 2.1-2.6 3.6=79, 3.0/311=40...(5) Violated in 0 structures by 0.00 A. Peak 310 from nnoeabs.peaks (1.66, 7.96, 119.96 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 52 + H LYS 53 OK 100 100 100 100 2.1-4.5 4.7=95, 1.8/311=91...(5) HD2 LYS 49 - H LYS 53 far 0 100 0 - 6.6-16.0 HD3 LYS 49 - H LYS 53 far 0 100 0 - 8.0-16.7 HB ILE 5 - H LYS 53 far 0 92 0 - 9.8-10.4 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 3 assignments used, quality = 0.98: * HB3 GLU 52 + H LYS 53 OK 98 100 100 98 2.4-4.0 3.0/309=71, 4.7=64...(5) HB3 GLU 128 - H LYS 53 far 0 100 0 - 7.3-9.3 HB2 LEU 127 - H LYS 53 far 0 61 0 - 9.6-11.0 Violated in 1 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 2.2-4.8 4.9=94, 3.0/311=79...(4) HB2 GLN 28 - H LYS 53 far 0 65 0 - 5.1-6.3 HB2 MET 1 - H LYS 53 far 0 81 0 - 8.0-10.6 HB3 GLU 48 - H LYS 53 far 0 99 0 - 8.3-14.4 HB2 GLU 48 - H LYS 53 far 0 99 0 - 9.6-15.5 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 1 assignment used, quality = 1.00: * H LYS 53 + H ILE 54 OK 100 100 100 100 4.3-4.6 4.6=100 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 = 0.89: * HA LYS 53 + H ILE 54 OK 89 100 100 89 2.1-2.2 3.6=81, 4.1/319=25...(4) 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 3.1-4.5 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 3.2-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 318 from nnoeabs.peaks (1.09, 8.80, 124.73 ppm; 5.02 A increased from 4.72 A): 2 out of 3 assignments used, quality = 0.97: QG2 ILE 3 + H ILE 54 OK 90 92 100 98 4.6-5.0 2.1/10802=71...(8) * HG2 LYS 53 + H ILE 54 OK 70 100 70 100 4.2-5.6 5.0=100 HG2 LYS 2 - H ILE 54 poor 18 61 30 - 4.3-7.2 Violated in 0 structures by 0.00 A. Peak 319 from nnoeabs.peaks (0.94, 8.80, 124.73 ppm; 4.70 A increased from 4.17 A): 1 out of 1 assignment used, quality = 0.94: * HG3 LYS 53 + H ILE 54 OK 94 100 95 99 3.8-4.9 5.0=85, 4.1/315=71...(6) Violated in 2 structures by 0.01 A. Peak 321 from nnoeabs.peaks (1.27, 8.80, 124.73 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.61: HG12 ILE 54 + H ILE 54 OK 61 61 100 100 4.0-4.3 4.6=86, 1.8/1353=84...(9) HD2 LYS 2 - H ILE 54 poor 19 97 20 - 4.0-7.2 ! HD3 LYS 53 - H ILE 54 far 0 100 0 - 5.7-6.6 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 = 0.93: * HA ILE 54 + H LEU 55 OK 93 100 100 93 2.1-2.2 3.6=70, 3.2/327=44...(8) HA ILE 5 - H LEU 55 far 0 84 0 - 7.7-8.0 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 2 assignments used, quality = 1.00: * HB ILE 54 + H LEU 55 OK 100 100 100 100 3.9-4.3 4.4=100 HB ILE 56 - H LEU 55 far 0 97 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 327 from nnoeabs.peaks (0.75, 9.10, 130.09 ppm; 3.34 A): 1 out of 6 assignments used, quality = 0.97: * QG2 ILE 54 + H LEU 55 OK 97 100 100 97 2.2-2.9 7565=74, 3.2/325=51...(8) QD2 LEU 55 - H LEU 55 far 0 92 0 - 4.1-4.3 QD1 LEU 45 - H LEU 55 far 0 96 0 - 6.9-7.9 QD2 LEU 6 - H LEU 55 far 0 90 0 - 7.5-8.0 QG2 VAL 32 - H LEU 55 far 0 70 0 - 7.6-8.3 QG2 ILE 7 - H LEU 55 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 330 from nnoeabs.peaks (0.64, 9.10, 130.09 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.99: * QD1 ILE 54 + H LEU 55 OK 99 100 100 99 3.6-3.9 4407/327=85, 4.2/325=59...(9) QD1 LEU 4 - H LEU 55 far 0 97 0 - 6.2-6.8 QG1 VAL 22 - H LEU 55 far 0 100 0 - 6.4-6.9 QD1 ILE 5 - H LEU 55 far 0 90 0 - 6.9-7.5 QD1 ILE 71 - H LEU 55 far 0 61 0 - 8.5-9.2 Violated in 0 structures by 0.00 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 4.4-4.5 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 = 0.92: * HA LEU 55 + H ILE 56 OK 92 100 100 92 2.1-2.2 7569=70, 4.0/337=33...(8) 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 3 assignments used, quality = 1.00: * HB2 LEU 55 + H ILE 56 OK 100 100 100 100 3.9-4.1 4.6=100 HB VAL 32 - H ILE 56 far 0 77 0 - 8.0-8.6 HB2 LEU 80 - H ILE 56 far 0 96 0 - 9.8-10.3 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 4.2-4.4 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 = 0.98: * HG LEU 55 + H ILE 56 OK 98 100 100 98 2.7-3.3 2.1/337=87, 4.3/332=54...(5) HB VAL 78 - H ILE 56 far 0 94 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 336 from nnoeabs.peaks (0.68, 9.18, 125.98 ppm; 3.97 A increased from 3.35 A): 1 out of 3 assignments used, quality = 0.92: QG2 ILE 56 + H ILE 56 OK 92 92 100 100 3.8-3.9 4.0=99, 2.1/1364=82...(6) ! QD1 LEU 55 - H ILE 56 far 0 100 0 - 4.3-4.7 QD2 LEU 4 - H ILE 56 far 0 98 0 - 5.0-5.6 Violated in 0 structures by 0.00 A. Peak 337 from nnoeabs.peaks (0.74, 9.18, 125.98 ppm; 3.25 A): 1 out of 10 assignments used, quality = 0.86: * QD2 LEU 55 + H ILE 56 OK 86 100 100 86 2.4-3.1 2.1/335=46, 4.0/332=37...(7) QD2 LEU 6 - H ILE 56 far 0 100 0 - 3.9-4.3 QG2 ILE 54 - H ILE 56 far 0 92 0 - 4.3-4.5 QG2 VAL 78 - H ILE 56 far 0 90 0 - 5.7-6.4 QD1 LEU 45 - H ILE 56 far 0 65 0 - 6.5-7.3 QG2 ILE 18 - H ILE 56 far 0 65 0 - 6.5-7.2 QD2 LEU 45 - H ILE 56 far 0 90 0 - 6.6-7.9 QG1 VAL 117 - H ILE 56 far 0 77 0 - 6.7-7.3 QG2 ILE 7 - H ILE 56 far 0 96 0 - 6.8-7.3 QD1 LEU 63 - H ILE 56 far 0 99 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 339 from nnoeabs.peaks (5.06, 8.54, 127.24 ppm; 2.95 A): 1 out of 2 assignments used, quality = 0.96: * HA ILE 56 + H ILE 57 OK 96 100 100 96 2.2-2.2 7575=68, 3.2/1375=42...(12) HA VAL 29 - H ILE 57 far 0 81 0 - 5.5-6.3 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 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 341 from nnoeabs.peaks (0.69, 8.54, 127.24 ppm; 3.01 A): 1 out of 6 assignments used, quality = 0.95: * QG2 ILE 56 + H ILE 57 OK 95 100 100 95 1.9-2.3 7577=51, 3.2/339=45...(10) QD1 ILE 57 - H ILE 57 far 0 84 0 - 3.9-4.2 QD1 LEU 55 - H ILE 57 far 0 92 0 - 6.4-6.7 QD2 LEU 63 - H ILE 57 far 0 77 0 - 7.6-8.6 QD2 LEU 4 - H ILE 57 far 0 73 0 - 7.8-8.6 QD2 LEU 81 - H ILE 57 far 0 87 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 343 from nnoeabs.peaks (0.96, 8.54, 127.24 ppm; 5.47 A increased from 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 57 OK 100 100 100 100 5.2-5.3 7579=100, 2.1/344=100...(6) QD1 LEU 38 - H ILE 57 far 0 99 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 344 from nnoeabs.peaks (0.66, 8.54, 127.24 ppm; 3.59 A increased from 3.19 A): 1 out of 4 assignments used, quality = 0.98: * QD1 ILE 56 + H ILE 57 OK 98 100 100 98 3.3-3.6 4491/341=76, 4459/339=54...(8) QD1 ILE 71 - H ILE 57 far 0 97 0 - 7.5-8.6 QD1 LEU 4 - H ILE 57 far 0 61 0 - 7.8-8.5 QD2 LEU 4 - H ILE 57 far 0 70 0 - 7.8-8.6 Violated in 0 structures by 0.00 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 4.1-4.4 4.7=100 H LYS 19 - H SER 58 far 0 94 0 - 9.9-11.0 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 = 0.91: * HA ILE 57 + H SER 58 OK 91 100 100 91 2.1-2.2 3.6=64, 3.2/348=42...(9) HA LEU 82 - H SER 58 far 0 100 0 - 7.8-8.6 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 3 assignments used, quality = 1.00: * HB ILE 57 + H SER 58 OK 100 100 100 100 3.9-4.3 4.4=100 HB2 LEU 14 - H SER 58 far 0 100 0 - 8.5-9.1 HB ILE 18 - H SER 58 far 0 100 0 - 8.5-9.4 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 = 0.98: * QG2 ILE 57 + H SER 58 OK 98 100 100 98 2.3-2.9 7583=71, 3.2/346=50...(11) HG13 ILE 57 - H SER 58 far 0 61 0 - 4.3-4.7 QG2 ILE 15 - H SER 58 far 0 97 0 - 5.2-6.1 QD2 LEU 82 - H SER 58 far 0 77 0 - 6.5-7.4 QG2 ILE 5 - H SER 58 far 0 100 0 - 6.9-7.7 QG2 VAL 22 - H SER 58 far 0 81 0 - 8.7-10.1 QD1 LEU 14 - H SER 58 far 0 61 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 349 from nnoeabs.peaks (1.46, 8.81, 119.27 ppm; 5.33 A increased from 4.74 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 57 + H SER 58 OK 100 100 100 100 4.8-5.1 7584=100, 3.2/348=96...(8) HB3 LEU 6 - H SER 58 far 0 100 0 - 7.0-8.0 HG12 ILE 7 - H SER 58 far 0 100 0 - 7.3-8.0 HB3 LEU 38 - H SER 58 far 0 100 0 - 8.1-8.7 HG LEU 80 - H SER 58 far 0 61 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 351 from nnoeabs.peaks (0.71, 8.81, 119.27 ppm; 4.10 A increased from 3.86 A): 2 out of 8 assignments used, quality = 0.79: QG2 ILE 56 + H SER 58 OK 71 84 95 89 3.8-4.5 1375/4.7=51, 9608/3.0=41...(5) QD1 LEU 6 + H SER 58 OK 26 96 60 46 3.6-4.6 11562/4.0=43, 2.1/11265=4 ! QD1 ILE 57 - H SER 58 far 0 100 0 - 4.9-5.4 QD2 LEU 63 - H SER 58 far 0 100 0 - 7.2-8.0 QG2 ILE 18 - H SER 58 far 0 90 0 - 7.2-8.2 QD2 LEU 81 - H SER 58 far 0 100 0 - 7.8-8.5 QG1 VAL 117 - H SER 58 far 0 81 0 - 8.9-9.7 QG2 VAL 78 - H SER 58 far 0 65 0 - 9.3-10.4 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 = 0.88: * HA SER 58 + H ASN 59 OK 88 100 100 88 2.2-2.3 3.6=63, 3.0/354=30...(6) 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 3.8-4.2 4.5=85, 3.0/353=83...(6) Violated in 0 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 3.5-4.0 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 1.9-2.4 1902=99, 3.6/9629=34...(8) H SER 58 - H ASP 60 far 0 73 0 - 5.0-5.6 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 3.1-3.4 3.6=100 HA ASP 34 - H ASP 60 far 0 96 0 - 7.2-8.0 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 3.3-4.3 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 3.3-4.5 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): 1 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 far 0 92 0 - 7.0-9.1 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 3.6-4.5 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 1 assignment used, quality = 1.00: * HB3 ASP 60 + H LYS 61 OK 100 100 100 100 2.8-4.4 4.3=100 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 2.4-2.8 1904=100, 3.7/368=43...(6) 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 1 assignment used, quality = 1.00: * HB2 LYS 61 + H GLN 62 OK 100 100 100 100 3.4-4.1 4.6=86, 1.8/369=76...(5) Violated in 0 structures by 0.00 A. Peak 369 from nnoeabs.peaks (1.43, 8.43, 118.92 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 61 + H GLN 62 OK 100 100 100 100 2.7-4.2 4.6=89, 1.8/368=79...(5) HB3 LEU 63 - H GLN 62 far 0 98 0 - 6.0-6.3 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 2.2-4.8 3.0/368=73, 3.0/369=72...(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 2.0-5.1 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 2.6-2.8 1905=100, 4.0/379=25...(11) H VAL 32 - H LEU 63 far 0 97 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 377 from nnoeabs.peaks (4.11, 7.67, 120.07 ppm; 3.65 A increased from 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + H LEU 63 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 378 from nnoeabs.peaks (2.17, 7.67, 120.07 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.95: HB3 GLN 62 + H LEU 63 OK 93 100 100 93 2.2-2.7 4.0/1905=47, 4.6=46...(8) * HB2 GLN 62 + H LEU 63 OK 28 100 30 93 3.5-3.8 4.0/1905=47, 4.6=46...(8) HB3 GLU 37 - H LEU 63 far 0 96 0 - 8.9-9.4 Violated in 0 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 = 0.95: * HB3 GLN 62 + H LEU 63 OK 93 100 100 93 2.2-2.7 4.0/1905=47, 4.6=46...(8) HB2 GLN 62 + H LEU 63 OK 28 100 30 93 3.5-3.8 4.0/1905=47, 4.6=46...(8) HB3 GLU 37 - H LEU 63 far 0 96 0 - 8.9-9.4 Violated in 0 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: HG3 GLN 62 + H LEU 63 OK 100 100 100 100 3.1-4.2 7609=100, 3.0/378=69...(10) * HG2 GLN 62 + H LEU 63 OK 100 100 100 100 4.2-4.8 1.8/7609=95, 3.0/378=69...(9) HG3 MET 67 - H LEU 63 far 0 65 0 - 8.6-9.6 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 3.1-4.2 7609=100, 3.0/378=69...(10) HG2 GLN 62 + H LEU 63 OK 100 100 100 100 4.2-4.8 1.8/7609=95, 3.0/378=69...(9) HG3 MET 67 - H LEU 63 far 0 70 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 384 from nnoeabs.peaks (7.67, 7.63, 117.70 ppm; 2.90 A increased from 2.73 A): 1 out of 1 assignment used, quality = 0.95: * H LEU 63 + H LEU 64 OK 95 100 100 95 2.4-2.9 1906=68, 1410/386=32...(9) Violated in 1 structures by 0.00 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 3.4-3.6 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): 1 out of 3 assignments used, quality = 0.94: * HB2 LEU 63 + H LEU 64 OK 94 100 100 94 2.5-3.3 1.8/387=59, 1410/384=54...(7) QE MET 67 - H LEU 64 far 0 94 0 - 4.3-5.1 QE MET 42 - H LEU 64 far 0 99 0 - 8.3-9.0 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 3 assignments used, quality = 1.00: * HB3 LEU 63 + H LEU 64 OK 100 100 100 100 3.1-3.9 1.8/386=86, 7612=82...(7) HB3 LYS 61 - H LEU 64 far 0 98 0 - 5.5-6.1 HG LEU 80 - H LEU 64 far 0 77 0 - 9.7-10.3 Violated in 1 structures by 0.00 A. Peak 389 from nnoeabs.peaks (0.71, 7.63, 117.70 ppm; 4.77 A increased from 4.49 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 63 + H LEU 64 OK 100 100 100 100 4.5-4.8 4.8=97, 3.1/386=85...(7) QD1 LEU 6 + H LEU 64 OK 33 98 35 97 4.8-5.3 10965/1418=66, ~10743=49...(8) QG2 ILE 56 - H LEU 64 far 0 77 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 390 from nnoeabs.peaks (0.74, 7.63, 117.70 ppm; 3.94 A): 0 out of 3 assignments used, quality = 0.00: ! QD1 LEU 63 - H LEU 64 far 0 100 0 - 4.4-5.1 QD2 LEU 6 - H LEU 64 far 0 98 0 - 5.2-5.9 QG2 ILE 7 - H LEU 64 far 0 100 0 - 9.1-9.6 Violated in 20 structures by 0.55 A. Peak 391 from nnoeabs.peaks (7.63, 8.04, 118.31 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 64 + H LYS 65 OK 100 100 100 100 2.6-2.9 1907=90, 1418/394=61...(15) H LYS 115 - H ARG 118 far 0 59 0 - 4.7-4.9 HD21 ASN 10 - H THR 9 far 0 54 0 - 5.6-9.3 H GLU 69 - H LYS 65 far 0 100 0 - 6.1-6.4 H LEU 64 - H THR 9 far 0 79 0 - 8.4-9.0 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 3.6-3.6 3.6=100 HA ARG 118 + H ARG 118 OK 48 48 100 100 2.8-2.9 2.9=100 HA LEU 64 - H THR 9 far 0 79 0 - 8.3-8.8 HB2 SER 35 - H LYS 65 far 0 87 0 - 9.3-11.6 HA LEU 38 - H LYS 65 far 0 99 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 393 from nnoeabs.peaks (1.79, 8.04, 118.31 ppm; 3.60 A): 1 out of 8 assignments used, quality = 0.56: HB2 ARG 118 + H ARG 118 OK 56 57 100 98 3.5-3.6 4.1=70, 3.0/6875=36...(10) ! HB2 LEU 64 - H LYS 65 far 0 100 0 - 3.8-4.0 HB2 LEU 64 - H THR 9 far 0 79 0 - 6.6-7.0 HG12 ILE 5 - H ARG 118 far 0 37 0 - 7.4-8.1 HB ILE 97 - H LYS 65 far 0 61 0 - 8.0-8.7 HG2 ARG 105 - H ARG 118 far 0 42 0 - 8.3-9.5 HB VAL 32 - H LYS 65 far 0 84 0 - 9.2-9.8 HB VAL 32 - H THR 9 far 0 59 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 394 from nnoeabs.peaks (1.63, 8.04, 118.31 ppm; 3.38 A): 1 out of 8 assignments used, quality = 0.98: * HB3 LEU 64 + H LYS 65 OK 98 100 100 98 2.4-2.6 4.2=51, 1418/391=44...(12) HG LEU 64 - H LYS 65 far 0 84 0 - 3.7-3.7 HB ILE 116 - H ARG 118 far 0 68 0 - 4.9-5.4 HG LEU 63 - H LYS 65 far 0 94 0 - 6.6-7.1 HB3 LEU 64 - H THR 9 far 0 79 0 - 7.8-8.2 HG LEU 64 - H THR 9 far 0 59 0 - 8.4-8.9 HB2 LEU 82 - H THR 9 far 0 71 0 - 8.4-8.8 HB ILE 5 - H ARG 118 far 0 40 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 395 from nnoeabs.peaks (1.64, 8.04, 118.31 ppm; 3.38 A): 2 out of 11 assignments used, quality = 0.88: HB3 LEU 64 + H LYS 65 OK 82 84 100 98 2.4-2.6 4.2=51, 1419/391=44...(12) HD3 LYS 65 + H LYS 65 OK 31 94 35 95 3.2-4.4 3.0/1426=48, 3.0/1427=39...(15) ! HG LEU 64 - H LYS 65 far 0 100 0 - 3.7-3.7 HD2 LYS 65 - H LYS 65 far 0 87 0 - 3.7-5.6 HB ILE 116 - H ARG 118 far 0 52 0 - 4.9-5.4 HD3 LYS 115 - H ARG 118 far 0 40 0 - 5.1-7.3 HD2 LYS 115 - H ARG 118 far 0 48 0 - 6.8-8.0 HG LEU 114 - H ARG 118 far 0 59 0 - 7.2-7.8 HB3 LEU 64 - H THR 9 far 0 59 0 - 7.8-8.2 HG LEU 64 - H THR 9 far 0 79 0 - 8.4-8.9 HB ILE 5 - H ARG 118 far 0 66 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 396 from nnoeabs.peaks (0.81, 8.04, 118.31 ppm; 4.41 A increased from 3.92 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 64 + H LYS 65 OK 100 100 100 100 4.2-4.4 2.1/397=84, 4.7=82...(11) QD2 LEU 82 - H THR 9 far 0 65 0 - 5.2-5.7 QD1 LEU 64 - H THR 9 far 0 79 0 - 5.4-5.8 QD2 LEU 82 - H LYS 65 far 0 90 0 - 5.9-6.7 QD1 LEU 114 - H ARG 118 far 0 59 0 - 6.7-7.4 QG1 VAL 29 - H THR 9 far 0 56 0 - 9.5-10.2 QG2 ILE 71 - H LYS 65 far 0 100 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 397 from nnoeabs.peaks (0.78, 8.04, 118.31 ppm; 3.95 A): 1 out of 14 assignments used, quality = 1.00: * QD2 LEU 64 + H LYS 65 OK 100 100 100 100 2.0-2.3 3.1/394=66, 2.1/5796=66...(16) QD1 ILE 15 - H THR 9 far 4 41 10 - 3.6-5.1 QD1 ILE 7 - H ARG 118 far 0 42 0 - 5.7-6.2 QD1 LEU 80 - H LYS 65 far 0 96 0 - 5.8-6.4 QD2 LEU 80 - H LYS 65 far 0 97 0 - 5.9-6.5 QD1 ILE 7 - H THR 9 far 0 51 0 - 6.6-6.7 QD1 LEU 81 - H ARG 118 far 0 64 0 - 6.7-7.1 QD1 LEU 80 - H THR 9 far 0 71 0 - 6.7-7.0 QD1 LEU 82 - H LYS 65 far 0 99 0 - 6.9-7.8 QD1 LEU 81 - H THR 9 far 0 74 0 - 7.2-7.9 QD2 LEU 64 - H THR 9 far 0 79 0 - 7.7-8.1 QD1 LEU 82 - H THR 9 far 0 76 0 - 7.7-8.2 QD2 LEU 80 - H THR 9 far 0 73 0 - 8.8-9.2 QG1 VAL 29 - H THR 9 far 0 48 0 - 9.5-10.2 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 2.8-3.0 1908=100, 4.0/7623=55...(10) H SER 72 - H GLU 66 far 0 77 0 - 9.5-9.8 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 3.6-3.6 3.6=100 HA LEU 68 - H GLU 66 far 0 77 0 - 7.0-7.2 HB2 SER 58 - H GLU 66 far 0 81 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 400 from nnoeabs.peaks (1.93, 7.80, 119.36 ppm; 2.98 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 65 + H GLU 66 OK 100 100 100 100 2.1-2.5 7623=100, 2.9/7625=31...(5) HB3 LYS 65 - H GLU 66 far 0 100 0 - 3.3-3.7 HB2 LEU 70 - H GLU 66 far 0 96 0 - 7.1-7.7 HB3 LYS 39 - H GLU 66 far 0 81 0 - 9.2-11.2 HB3 MET 42 - H GLU 66 far 0 73 0 - 9.8-10.4 HB2 LYS 39 - H GLU 66 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 401 from nnoeabs.peaks (1.93, 7.80, 119.36 ppm; 2.98 A): 1 out of 6 assignments used, quality = 1.00: HB2 LYS 65 + H GLU 66 OK 100 100 100 100 2.1-2.5 7624=100, 2.9/7625=31...(5) ! HB3 LYS 65 - H GLU 66 far 0 100 0 - 3.3-3.7 HB2 LEU 70 - H GLU 66 far 0 94 0 - 7.1-7.7 HB3 LYS 39 - H GLU 66 far 0 77 0 - 9.2-11.2 HB3 MET 42 - H GLU 66 far 0 70 0 - 9.8-10.4 HB2 LYS 39 - H GLU 66 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 402 from nnoeabs.peaks (1.55, 7.80, 119.36 ppm; 4.36 A increased from 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 65 + H GLU 66 OK 100 100 100 100 3.8-4.1 7625=100, 2.9/7624=89...(7) Violated in 0 structures by 0.00 A. Peak 403 from nnoeabs.peaks (1.34, 7.80, 119.36 ppm; 5.17 A increased from 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 65 + H GLU 66 OK 100 100 100 100 4.6-4.9 7626=100, 2.9/7624=99...(5) Violated in 0 structures by 0.00 A. Peak 408 from nnoeabs.peaks (7.80, 8.39, 118.40 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.98: * H GLU 66 + H MET 67 OK 98 100 100 98 2.7-2.9 1909=75, 1435/411=46...(13) 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): 1 out of 2 assignments used, quality = 0.91: HB3 MET 67 + H MET 67 OK 91 94 100 97 2.7-3.0 1.8/1440=65, 4.0=44...(9) ! HB2 GLU 66 - H MET 67 far 0 100 0 - 3.2-3.8 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 = 0.94: * HB3 GLU 66 + H MET 67 OK 94 100 100 94 2.5-2.8 7633=61, 1435/408=51...(7) HB3 GLU 69 - H MET 67 far 0 99 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 412 from nnoeabs.peaks (2.39, 8.39, 118.40 ppm; 4.53 A increased from 3.82 A): 2 out of 2 assignments used, quality = 0.95: * HG2 GLU 66 + H MET 67 OK 85 100 85 100 4.3-4.8 4904/411=85, 5.0=74...(8) HG3 MET 67 + H MET 67 OK 70 99 70 100 4.5-4.6 3.0/1441=88, 3.0/1440=86...(12) Violated in 0 structures by 0.00 A. Peak 413 from nnoeabs.peaks (2.19, 8.39, 118.40 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.72: HB2 MET 67 + H MET 67 OK 72 73 100 99 2.2-2.4 1.8/1441=79, 4.0=58...(11) ! HG3 GLU 66 - H MET 67 far 0 100 0 - 5.0-5.2 HB2 GLU 69 - H MET 67 far 0 81 0 - 5.3-5.6 HB2 MET 42 - H MET 67 far 0 99 0 - 7.9-8.7 Violated in 0 structures by 0.00 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 2.5-3.0 1910=98, 1441/417=48...(12) H PHE 79 - H LEU 68 far 0 57 0 - 9.5-10.2 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 2 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 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 416 from nnoeabs.peaks (2.20, 8.47, 118.27 ppm; 3.75 A): 1 out of 5 assignments used, quality = 0.99: * HB2 MET 67 + H LEU 68 OK 99 100 100 99 3.4-3.8 1.8/417=78, 1440/414=60...(11) HB2 GLU 69 - H LEU 68 far 0 100 0 - 4.8-5.2 HG3 GLU 66 - H LEU 68 far 0 73 0 - 7.2-7.5 HB2 GLN 100 - H LEU 68 far 0 97 0 - 7.8-8.8 HB2 MET 42 - H LEU 68 far 0 87 0 - 8.4-9.4 Violated in 1 structures by 0.00 A. Peak 417 from nnoeabs.peaks (2.05, 8.47, 118.27 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.99: * HB3 MET 67 + H LEU 68 OK 99 100 100 99 2.2-2.6 1.8/416=69, 1441/414=57...(9) HB2 GLU 66 - H LEU 68 far 0 94 0 - 5.4-6.0 HB3 GLN 100 - H LEU 68 far 0 100 0 - 8.0-8.9 Violated in 0 structures by 0.00 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 4.0-4.7 3.0/417=85, 3.0/416=83...(10) HG2 GLU 66 - H LEU 68 far 0 99 0 - 6.3-6.7 HG3 GLN 62 - H LEU 68 far 0 70 0 - 8.2-9.2 HG2 GLN 62 - H LEU 68 far 0 65 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 420 from nnoeabs.peaks (1.88, 8.47, 118.27 ppm; 5.44 A increased from 4.58 A): 3 out of 5 assignments used, quality = 1.00: * QE MET 67 + H LEU 68 OK 100 100 100 100 4.9-5.2 7641=100, 4951/417=89...(8) HB ILE 71 + H LEU 68 OK 73 73 100 100 5.1-5.5 8146/3.0=67...(8) QE MET 42 + H LEU 68 OK 73 81 100 90 4.9-5.4 4919/3.6=66, 9427/419=48...(4) HB2 LEU 63 - H LEU 68 far 0 94 0 - 7.7-8.3 HB2 LYS 73 - H LEU 68 far 0 77 0 - 10.0-10.7 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 2.8-3.0 1911=96, 1447/423=45...(12) Violated in 0 structures by 0.00 A. Peak 422 from nnoeabs.peaks (3.78, 7.63, 118.68 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 68 + H GLU 69 OK 100 100 100 100 3.6-3.6 3.6=100 HA LYS 65 - H GLU 69 far 4 77 5 - 3.9-4.3 HB2 SER 58 - H GLU 69 far 0 100 0 - 9.9-10.9 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 2.2-2.5 1.8/424=68, 1447/421=55...(6) HB3 LYS 49 - H ALA 46 far 0 65 0 - 5.3-10.9 HB2 LEU 80 - H GLU 69 far 0 98 0 - 8.5-9.1 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 2 assignments used, quality = 1.00: * HB3 LEU 68 + H GLU 69 OK 100 100 100 100 3.2-3.6 7644=90, 1.8/423=80...(5) HG3 LYS 43 - H ALA 46 far 0 58 0 - 5.6-7.3 Violated in 0 structures by 0.00 A. Peak 425 from nnoeabs.peaks (1.59, 7.63, 118.68 ppm; 4.39 A increased from 3.90 A): 1 out of 6 assignments used, quality = 0.99: * HG LEU 68 + H GLU 69 OK 99 100 100 99 3.8-4.4 3.0/423=74, 1449/421=74...(6) HG2 LYS 44 - H ALA 46 far 0 68 0 - 4.9-6.6 HB3 LEU 70 - H GLU 69 far 0 65 0 - 6.3-6.5 HG2 LYS 73 - H GLU 69 far 0 94 0 - 6.5-7.9 HB3 LEU 70 - H ALA 46 far 0 40 0 - 6.9-8.0 HG2 LYS 73 - H ALA 46 far 0 63 0 - 9.2-11.7 Violated in 2 structures by 0.00 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 3.7-4.3 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 2.8-3.0 1912=60, 1454/430=45...(10) H LEU 74 - H LEU 70 far 0 65 0 - 6.2-6.9 H LEU 64 - H LEU 70 far 0 100 0 - 9.3-9.7 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): 1 out of 5 assignments used, quality = 0.99: * HB2 GLU 69 + H LEU 70 OK 99 100 100 99 2.2-3.5 1.8/431=74, 7649=70...(5) HB2 MET 67 - H LEU 70 far 0 100 0 - 5.8-6.1 HB2 MET 42 - H LEU 70 far 0 92 0 - 6.1-7.1 HG3 GLU 66 - H LEU 70 far 0 81 0 - 6.8-7.5 HB2 GLN 100 - H LEU 70 far 0 94 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 431 from nnoeabs.peaks (2.09, 7.72, 119.50 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.95: * HB3 GLU 69 + H LEU 70 OK 95 100 95 100 3.3-3.9 7650=84, 1.8/430=73...(6) HB3 GLU 66 - H LEU 70 far 0 99 0 - 5.7-6.1 Violated in 2 structures by 0.01 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 2.5-4.2 7651=100, 5017/430=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 2.1-4.8 7652=100, 1.8/7651=100...(6) HG2 GLN 100 - H LEU 70 far 0 99 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 434 from nnoeabs.peaks (7.72, 8.60, 116.79 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + H ILE 71 OK 100 100 100 100 2.6-2.8 1913=98, 1460/436=49...(13) H LYS 73 - H ILE 71 far 0 98 0 - 4.2-4.5 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): 1 out of 5 assignments used, quality = 0.96: * HB2 LEU 70 + H ILE 71 OK 96 100 100 96 2.7-2.9 1.8/437=56, 4.5=50...(7) HB3 MET 42 - H ILE 71 far 0 96 0 - 6.9-8.1 HB3 LYS 65 - H ILE 71 far 0 94 0 - 8.9-10.1 HB2 LYS 65 - H ILE 71 far 0 96 0 - 9.1-9.5 HB2 GLU 41 - H ILE 71 far 0 96 0 - 9.6-12.4 Violated in 0 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 3.7-3.9 1.8/436=90, 4.5=80...(8) HG LEU 68 - H ILE 71 far 0 65 0 - 5.9-6.3 HB VAL 78 - H ILE 71 far 0 84 0 - 6.0-6.4 Violated in 0 structures by 0.00 A. Peak 438 from nnoeabs.peaks (1.85, 8.60, 116.79 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.58: QE MET 42 + H ILE 71 OK 58 65 100 88 3.2-4.1 11630/1471=40...(10) ! HG LEU 70 - H ILE 71 far 0 100 0 - 4.4-4.6 Violated in 4 structures by 0.00 A. Peak 439 from nnoeabs.peaks (0.91, 8.60, 116.79 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 70 + H ILE 71 OK 100 100 100 100 4.2-4.5 7657=100, 3.1/436=79...(7) QD2 LEU 70 - H ILE 71 far 0 100 0 - 4.8-4.9 QD2 LEU 38 - H ILE 71 far 0 70 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 440 from nnoeabs.peaks (0.90, 8.60, 116.79 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 70 + H ILE 71 OK 100 100 100 100 4.2-4.5 7657=100, 3.1/436=81...(7) ! QD2 LEU 70 - H ILE 71 far 0 100 0 - 4.8-4.9 QD2 LEU 38 - H ILE 71 far 0 81 0 - 6.9-7.6 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 2.4-2.6 1914=91, 1467/443=47...(10) 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 3.5-3.5 3.6=100 HA2 GLY 101 - H SER 72 far 0 77 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 443 from nnoeabs.peaks (1.90, 8.02, 116.52 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 71 + H SER 72 OK 100 100 100 100 2.6-3.0 4.5=67, 2.1/444=66...(10) HB2 LYS 73 - H SER 72 far 0 100 0 - 4.9-5.5 HB3 LYS 73 - H SER 72 far 0 100 0 - 6.1-6.3 QE MET 67 - H SER 72 far 0 73 0 - 8.8-9.2 HB2 LEU 45 - H SER 72 far 0 96 0 - 9.2-10.4 HG LEU 45 - H SER 72 far 0 81 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 444 from nnoeabs.peaks (0.82, 8.02, 116.52 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + H SER 72 OK 100 100 100 100 3.4-3.8 4.1=97, 2.1/443=75...(9) QD1 LEU 74 - H SER 72 far 0 100 0 - 4.8-5.5 QD2 LEU 74 - H SER 72 far 0 100 0 - 6.5-7.0 QD1 LEU 64 - H SER 72 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 445 from nnoeabs.peaks (1.69, 8.02, 116.52 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 71 + H SER 72 OK 100 100 100 100 4.3-4.4 3.0/443=82, 3.2/444=77...(13) HD3 LYS 73 - H SER 72 poor 17 92 35 53 4.1-7.2 6.4/1915=38, 7662=12...(4) HD2 LYS 73 - H SER 72 poor 15 94 30 53 4.5-7.1 6.4/1915=38, 1.8/7662=11...(4) HG LEU 74 - H SER 72 far 0 92 0 - 5.3-6.1 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 2 assignments used, quality = 1.00: * HG13 ILE 71 + H SER 72 OK 100 100 100 100 5.1-5.3 3.0/443=95, 3.2/444=92...(8) HG12 ILE 97 - H SER 72 far 0 61 0 - 9.2-12.1 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 2 assignments used, quality = 1.00: * QD1 ILE 71 + H SER 72 OK 100 100 100 100 4.2-4.6 3.2/443=86, 5107/444=86...(9) QD1 LEU 4 - H SER 72 far 0 87 0 - 6.3-7.1 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 = 1.00: * H SER 72 + H LYS 73 OK 100 100 100 100 2.6-2.8 1915=100, 4.0/450=34...(10) 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 3.5-3.6 3.6=100 HA MET 42 - H LYS 73 far 0 65 0 - 9.6-11.1 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 = 0.89: HB3 SER 72 + H LYS 73 OK 85 100 100 85 2.6-3.7 4.6=55, 4.0/1915=44 * HB2 SER 72 + H LYS 73 OK 26 100 35 75 2.4-4.2 4.6=55, 4.0/1915=44 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 = 0.89: * HB3 SER 72 + H LYS 73 OK 85 100 100 85 2.6-3.7 4.6=55, 4.0/1915=44 HB2 SER 72 + H LYS 73 OK 26 100 35 75 2.4-4.2 4.6=55, 4.0/1915=44 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 2 assignments used, quality = 0.98: * H LYS 73 + H LEU 74 OK 98 100 100 98 2.5-2.9 1916=92, 1478/4.3=35...(11) H LEU 70 - H LEU 74 far 0 98 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 453 from nnoeabs.peaks (4.29, 7.61, 117.57 ppm; 3.64 A): 1 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 far 0 60 0 - 4.3-4.7 Violated in 0 structures by 0.00 A. Peak 454 from nnoeabs.peaks (1.90, 7.61, 117.57 ppm; 3.09 A increased from 2.74 A): 2 out of 10 assignments used, quality = 0.88: HB3 LYS 16 + H LYS 16 OK 68 75 95 95 2.7-3.6 2730=67, 3.0/1106=47...(8) * HB2 LYS 73 + H LEU 74 OK 64 100 75 85 2.4-4.2 7669=54, 1478/452=38...(6) HB2 LYS 16 - H LYS 16 far 4 71 5 - 2.6-3.6 HB3 LYS 73 - H LEU 74 far 0 100 0 - 3.6-4.3 HB ILE 71 - H LEU 74 far 0 100 0 - 5.4-6.0 HB2 LEU 45 - H LEU 74 far 0 94 0 - 6.7-8.1 HB2 LYS 20 - H LYS 16 far 0 95 0 - 7.6-8.8 HG LEU 45 - H LEU 74 far 0 84 0 - 8.4-9.9 HB3 LYS 20 - H LYS 16 far 0 95 0 - 9.3-9.6 HB ILE 7 - H LYS 16 far 0 96 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 455 from nnoeabs.peaks (1.89, 7.61, 117.57 ppm; 3.09 A increased from 2.74 A): 2 out of 10 assignments used, quality = 0.90: HB3 LYS 16 + H LYS 16 OK 71 78 95 96 2.7-3.6 2730=71, 3.0/1106=47...(8) HB2 LYS 73 + H LEU 74 OK 64 100 75 85 2.4-4.2 7669=54, 1479/452=38...(6) HB2 LYS 16 - H LYS 16 far 4 75 5 - 2.6-3.6 ! HB3 LYS 73 - H LEU 74 far 0 100 0 - 3.6-4.3 HB ILE 71 - H LEU 74 far 0 100 0 - 5.4-6.0 HB2 LEU 45 - H LEU 74 far 0 92 0 - 6.7-8.1 HB2 LYS 20 - H LYS 16 far 0 96 0 - 7.6-8.8 HG LEU 45 - H LEU 74 far 0 87 0 - 8.4-9.9 HB3 LYS 20 - H LYS 16 far 0 96 0 - 9.3-9.6 HB ILE 7 - H LYS 16 far 0 97 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 456 from nnoeabs.peaks (1.60, 7.61, 117.57 ppm; 3.21 A): 0 out of 4 assignments used, quality = 0.00: HD3 LYS 19 - H LYS 16 far 0 96 0 - 3.4-6.5 HD2 LYS 19 - H LYS 16 far 0 96 0 - 3.5-6.4 ! HG2 LYS 73 - H LEU 74 far 0 100 0 - 3.6-4.5 HG3 LYS 19 - H LYS 16 far 0 97 0 - 4.3-6.1 Violated in 18 structures by 0.28 A. Peak 457 from nnoeabs.peaks (1.48, 7.61, 117.57 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.95: HB2 LEU 74 + H LEU 74 OK 86 87 100 100 2.1-2.7 3.8=83, 3.0/458=64...(10) * HG3 LYS 73 + H LEU 74 OK 61 100 65 94 2.1-4.6 1.8/7671=45, 5128/3.6=44...(11) HB3 LEU 45 - H LEU 74 far 0 96 0 - 7.1-8.8 HG3 LYS 20 - H LYS 16 far 0 97 0 - 7.6-8.5 HG12 ILE 57 - H LYS 16 far 0 60 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 458 from nnoeabs.peaks (1.68, 7.61, 117.57 ppm; 3.04 A): 1 out of 9 assignments used, quality = 0.50: HG LEU 74 + H LEU 74 OK 50 61 90 91 1.9-3.2 2.1/5248=40, 2.1/5241=34...(10) HD2 LYS 16 - H LYS 16 far 10 97 10 - 1.9-4.5 HD3 LYS 16 - H LYS 16 far 5 96 5 - 3.0-4.3 HD3 LYS 73 - H LEU 74 far 0 100 0 - 3.5-6.2 ! HD2 LYS 73 - H LEU 74 far 0 100 0 - 3.5-5.6 HD2 LYS 17 - H LYS 16 far 0 96 0 - 5.5-6.4 HG12 ILE 71 - H LEU 74 far 0 94 0 - 5.8-6.2 HD3 LYS 20 - H LYS 16 far 0 97 0 - 6.7-10.7 HD2 LYS 20 - H LYS 16 far 0 96 0 - 7.4-10.6 Violated in 2 structures by 0.02 A. Peak 459 from nnoeabs.peaks (1.68, 7.61, 117.57 ppm; 3.04 A): 0 out of 8 assignments used, quality = 0.00: HD2 LYS 16 - H LYS 16 far 10 97 10 - 1.9-4.5 HD3 LYS 16 - H LYS 16 far 5 95 5 - 3.0-4.3 ! HD3 LYS 73 - H LEU 74 far 0 100 0 - 3.5-6.2 HD2 LYS 73 - H LEU 74 far 0 100 0 - 3.5-5.6 HD2 LYS 17 - H LYS 16 far 0 96 0 - 5.5-6.4 HG12 ILE 71 - H LEU 74 far 0 92 0 - 5.8-6.2 HD3 LYS 20 - H LYS 16 far 0 96 0 - 6.7-10.7 HD2 LYS 20 - H LYS 16 far 0 96 0 - 7.4-10.6 Violated in 17 structures by 0.38 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 2.6-2.9 1917=87, 9827/469=29...(6) H GLU 69 - H GLY 75 far 0 65 0 - 9.4-9.8 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 3.5-3.6 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): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 74 + H GLY 75 OK 100 100 100 100 2.2-2.9 4.6=100 HG3 LYS 73 - H GLY 75 poor 12 87 25 55 4.8-6.7 7672/462=45, 5215/3.6=13 HG LEU 4 - H GLY 75 far 0 77 0 - 7.8-8.5 HG2 LYS 49 - H GLY 75 far 0 96 0 - 9.9-18.3 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 2.7-4.0 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): 1 out of 3 assignments used, quality = 0.99: * HG LEU 74 + H GLY 75 OK 99 100 100 99 4.1-4.7 1490/462=98, 2.1/468=54 HD2 LYS 73 - H GLY 75 poor 12 61 20 - 5.5-7.8 HG12 ILE 71 - H GLY 75 far 0 92 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 467 from nnoeabs.peaks (0.82, 7.92, 105.99 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.97: * QD1 LEU 74 + H GLY 75 OK 90 100 95 95 3.9-4.5 4.8=76, 5241/462=60, 2.1/466=45 QG2 ILE 71 + H GLY 75 OK 72 100 100 72 3.4-4.1 9797/469=50, 9789/4.6=41 QD2 LEU 74 - H GLY 75 far 5 100 5 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 468 from nnoeabs.peaks (0.82, 7.92, 105.99 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 74 + H GLY 75 OK 90 100 95 95 3.9-4.5 4.8=76, 5241/462=60, 2.1/466=45 QG2 ILE 71 + H GLY 75 OK 72 100 100 72 3.4-4.1 9797/469=50, 9789/4.6=41 ! QD2 LEU 74 - H GLY 75 far 5 100 5 - 4.4-4.9 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 2.0-2.4 1918=97, 462/9827=37...(6) 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 3.0-3.2 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 3.4-3.5 3.6=100 HA3 GLY 101 - H TYR 76 far 0 100 0 - 9.7-10.9 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 2.1-2.2 3.6=100 HA PHE 51 - H LYS 77 far 0 57 0 - 8.5-11.5 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 3.9-4.2 4.4=92, 1.8/475=83...(4) Violated in 0 structures by 0.00 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 2.9-3.4 4.4=77, 1.8/474=69, 2.5/479=58 Violated in 0 structures by 0.00 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 3.7-4.1 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 4.3-4.4 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 = 0.90: * HA LYS 77 + H VAL 78 OK 90 100 100 90 2.2-2.2 7691=73, 4.0/485=20...(7) HA PHE 79 - H VAL 78 far 0 61 0 - 4.9-5.0 Violated in 0 structures by 0.00 A. Peak 482 from nnoeabs.peaks (1.84, 7.83, 124.07 ppm; 4.59 A increased from 4.32 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 77 + H VAL 78 OK 100 100 100 100 3.7-4.6 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 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 483 from nnoeabs.peaks (1.84, 7.83, 124.07 ppm; 4.59 A increased from 4.32 A): 2 out of 3 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 3.7-4.6 4.3=100 HG LEU 127 - H VAL 78 far 0 70 0 - 8.7-9.7 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 4.9-5.5 7694=100, 1.8/485=100...(5) 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 3.2-4.6 7695=79, 3.0/486=77...(6) Violated in 1 structures by 0.00 A. Peak 486 from nnoeabs.peaks (1.62, 7.83, 124.07 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.89: * HD2 LYS 77 + H VAL 78 OK 89 100 95 93 2.7-4.6 7696=65, 3.0/485=47...(5) HD3 LYS 77 - H VAL 78 far 10 100 10 - 3.8-5.2 HB3 LEU 127 - H VAL 78 far 0 90 0 - 8.0-9.5 Violated in 2 structures by 0.04 A. Peak 487 from nnoeabs.peaks (1.62, 7.83, 124.07 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.89: HD2 LYS 77 + H VAL 78 OK 89 100 95 93 2.7-4.6 7697=65, 3.0/485=47...(5) ! HD3 LYS 77 - H VAL 78 far 10 100 10 - 3.8-5.2 HB3 LEU 127 - H VAL 78 far 0 92 0 - 8.0-9.5 Violated in 2 structures by 0.04 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 = 0.96: * HA VAL 78 + H PHE 79 OK 96 100 100 96 2.2-2.3 7700=77, 3.2/7703=36...(10) HA ILE 7 - H PHE 79 far 0 81 0 - 7.6-8.0 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 3 assignments used, quality = 1.00: * HB VAL 78 + H PHE 79 OK 100 100 100 100 3.9-4.2 4.4=100 HG12 ILE 3 - H PHE 79 far 0 99 0 - 7.1-8.7 HG LEU 55 - H PHE 79 far 0 94 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 493 from nnoeabs.peaks (0.72, 8.37, 126.17 ppm; 3.96 A increased from 3.73 A): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 78 + H PHE 79 OK 100 100 100 100 3.4-3.8 4.1=88, 2.1/7703=75...(9) QD2 LEU 6 - H PHE 79 far 0 92 0 - 5.7-6.3 QD1 LEU 6 - H PHE 79 far 0 92 0 - 6.3-6.6 QG1 VAL 117 - H PHE 79 far 0 99 0 - 7.0-7.5 QD2 LEU 55 - H PHE 79 far 0 90 0 - 7.3-7.9 QD2 LEU 81 - H PHE 79 far 0 61 0 - 7.5-7.9 QG2 ILE 7 - H PHE 79 far 0 61 0 - 8.2-8.5 QG2 ILE 18 - H PHE 79 far 0 97 0 - 9.3-9.6 QD2 LEU 45 - H PHE 79 far 0 100 0 - 9.7-10.9 Violated in 0 structures by 0.00 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 1.9-2.2 7703=80, 3.2/491=57...(14) QD1 ILE 5 + H PHE 79 OK 85 94 100 91 2.5-3.1 3.0/9899=37...(9) QD1 ILE 18 - H PHE 79 far 0 100 0 - 9.9-10.2 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 = 0.88: * HA PHE 79 + H LEU 80 OK 88 100 100 88 2.1-2.4 3.6=81, 10816/3.8=15...(5) HA LYS 77 - H LEU 80 far 0 61 0 - 8.1-8.8 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 2.6-3.5 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 4 assignments used, quality = 1.00: * HB3 PHE 79 + H LEU 80 OK 100 100 100 100 3.6-4.3 4.5=100 HB2 GLU 103 + H LEU 80 OK 72 87 100 82 3.3-4.7 11014/3.6=60...(3) HG2 GLU 119 - H LEU 80 far 0 100 0 - 9.1-12.7 HB2 LYS 94 - H LEU 80 far 0 99 0 - 9.5-11.5 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 = 0.93: * HA LEU 80 + H LEU 81 OK 93 100 100 93 2.1-2.2 7710=74, 5472/508=39...(8) 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 5 assignments used, quality = 1.00: * HB2 LEU 80 + H LEU 81 OK 100 100 100 100 4.1-4.2 4.2=100 HB3 LEU 82 - H LEU 81 far 0 70 0 - 6.4-6.6 HG3 ARG 105 - H LEU 81 far 0 100 0 - 7.4-8.4 HB3 LYS 94 - H LEU 81 far 0 65 0 - 8.6-10.8 HB2 LEU 68 - H LEU 81 far 0 98 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 506 from nnoeabs.peaks (1.29, 9.06, 126.69 ppm; 4.31 A increased from 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + H LEU 81 OK 100 100 100 100 4.0-4.2 4.2=100 Violated in 0 structures by 0.00 A. Peak 508 from nnoeabs.peaks (0.78, 9.06, 126.69 ppm; 3.18 A): 1 out of 8 assignments used, quality = 0.93: QD1 LEU 80 + H LEU 81 OK 93 100 100 93 1.9-2.1 7715=55, 5472/504=45...(9) QD1 LEU 81 - H LEU 81 far 0 84 0 - 4.3-4.4 ! QD2 LEU 80 - H LEU 81 far 0 100 0 - 4.3-4.5 QD1 LEU 82 - H LEU 81 far 0 100 0 - 5.1-5.6 QD1 ILE 7 - H LEU 81 far 0 94 0 - 5.1-5.2 QD2 LEU 64 - H LEU 81 far 0 97 0 - 6.1-6.8 QG1 VAL 107 - H LEU 81 far 0 84 0 - 6.2-6.5 QD1 ILE 15 - H LEU 81 far 0 87 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 509 from nnoeabs.peaks (0.78, 9.06, 126.69 ppm; 3.18 A): 1 out of 8 assignments used, quality = 0.93: * QD1 LEU 80 + H LEU 81 OK 93 100 100 93 1.9-2.1 7715=55, 5473/504=45...(9) QD1 LEU 81 - H LEU 81 far 0 81 0 - 4.3-4.4 QD2 LEU 80 - H LEU 81 far 0 100 0 - 4.3-4.5 QD1 LEU 82 - H LEU 81 far 0 100 0 - 5.1-5.6 QD1 ILE 7 - H LEU 81 far 0 96 0 - 5.1-5.2 QD2 LEU 64 - H LEU 81 far 0 96 0 - 6.1-6.8 QG1 VAL 107 - H LEU 81 far 0 87 0 - 6.2-6.5 QD1 ILE 15 - H LEU 81 far 0 90 0 - 9.1-11.2 Violated in 0 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 = 0.89: * HA LEU 81 + H LEU 82 OK 89 100 100 89 2.1-2.1 7716=63, 5538/515=41...(7) HA GLN 83 - H LEU 82 far 0 94 0 - 5.0-5.1 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 4.3-4.5 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): 1 out of 3 assignments used, quality = 0.89: HG LEU 81 + H LEU 82 OK 89 92 100 97 3.6-3.8 2.1/515=85, 4.3/511=51...(5) ! HB3 LEU 81 - H LEU 82 far 0 100 0 - 4.2-4.4 HG2 LYS 94 - H LEU 82 far 0 84 0 - 5.7-8.5 Violated in 0 structures by 0.00 A. Peak 514 from nnoeabs.peaks (1.35, 8.86, 124.89 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.97: * HG LEU 81 + H LEU 82 OK 97 100 100 97 3.6-3.8 2.1/515=85, 5531/511=52...(5) HB3 LEU 81 - H LEU 82 far 0 92 0 - 4.2-4.4 Violated in 0 structures by 0.00 A. Peak 515 from nnoeabs.peaks (0.79, 8.86, 124.89 ppm; 3.19 A): 1 out of 5 assignments used, quality = 0.97: * QD1 LEU 81 + H LEU 82 OK 97 100 100 97 2.6-2.8 7720=69, 5538/511=48...(9) QD1 LEU 82 - H LEU 82 far 0 90 0 - 3.5-3.8 QD1 LEU 80 - H LEU 82 far 0 81 0 - 3.7-4.4 QD2 LEU 80 - H LEU 82 far 0 84 0 - 5.1-5.3 QD2 LEU 64 - H LEU 82 far 0 98 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 516 from nnoeabs.peaks (0.71, 8.86, 124.89 ppm; 4.93 A increased from 4.64 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 81 + H LEU 82 OK 100 100 100 100 4.8-4.9 4.9=100 QD1 LEU 6 - H LEU 82 far 0 94 0 - 6.0-6.3 QG1 VAL 117 - H LEU 82 far 0 77 0 - 8.9-9.3 QG2 ILE 18 - H LEU 82 far 0 87 0 - 9.4-9.8 Violated in 0 structures by 0.00 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 = 0.93: * HA LEU 82 + H GLN 83 OK 93 100 100 93 2.2-2.3 3.6=58, 5580/522=33...(8) HA ARG 105 - H GLN 83 far 0 99 0 - 9.0-9.3 HA ILE 57 - H GLN 83 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 519 from nnoeabs.peaks (1.62, 8.44, 122.15 ppm; 4.34 A increased from 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 82 + H GLN 83 OK 100 100 100 100 3.9-4.1 4.5=87, 3.0/518=85...(7) HG LEU 90 - H GLN 83 far 0 65 0 - 7.1-7.8 HB ILE 116 - H GLN 83 far 0 94 0 - 8.6-9.2 HB3 LEU 64 - H GLN 83 far 0 96 0 - 8.8-9.3 Violated in 0 structures by 0.00 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 2.7-3.0 3.0/518=84, 4.5=83...(7) HB3 LEU 90 - H GLN 83 far 0 81 0 - 6.2-6.7 HB3 LYS 94 - H GLN 83 far 0 100 0 - 7.7-10.1 HG3 ARG 105 - H GLN 83 far 0 73 0 - 8.1-10.9 HG12 ILE 15 - H GLN 83 far 0 92 0 - 9.3-10.5 HB2 LEU 80 - H GLN 83 far 0 70 0 - 9.8-10.0 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 4 assignments used, quality = 0.99: * QD2 LEU 82 + H GLN 83 OK 99 100 100 99 2.9-3.4 7726=66, 5580/518=58...(9) QD1 LEU 64 - H GLN 83 far 0 90 0 - 5.5-5.9 QG2 ILE 57 - H GLN 83 far 0 77 0 - 7.6-8.3 QG2 ILE 5 - H GLN 83 far 0 73 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 523 from nnoeabs.peaks (0.78, 8.44, 122.15 ppm; 4.05 A increased from 3.60 A): 1 out of 9 assignments used, quality = 0.71: QG1 VAL 107 + H GLN 83 OK 71 77 100 92 3.8-4.1 10310/3.0=39...(10) QD1 LEU 81 - H GLN 83 far 0 90 0 - 4.5-5.2 ! QD1 LEU 82 - H GLN 83 far 0 100 0 - 4.8-5.0 QD1 LEU 80 - H GLN 83 far 0 100 0 - 5.7-6.2 QD2 LEU 14 - H GLN 83 far 0 77 0 - 7.0-7.3 QD1 ILE 15 - H GLN 83 far 0 81 0 - 7.3-9.1 QD2 LEU 64 - H GLN 83 far 0 99 0 - 7.4-7.8 QD2 LEU 80 - H GLN 83 far 0 100 0 - 7.4-7.6 QD1 ILE 7 - H GLN 83 far 0 90 0 - 7.8-8.1 Violated in 2 structures by 0.00 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 4.0-4.3 4.5=100 H ASN 10 - H ASP 84 far 0 100 0 - 6.1-6.9 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 = 0.95: * HA GLN 83 + H ASP 84 OK 95 100 100 95 2.1-2.2 3.6=77, 3.9/528=31...(7) HA LEU 81 - H ASP 84 far 0 94 0 - 8.2-8.7 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 4.2-4.4 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): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + H ASP 84 OK 100 100 100 100 4.2-4.5 4.4=100 QB ALA 113 - H ASP 84 far 0 92 0 - 6.2-6.9 HG3 LYS 106 - H ASP 84 far 0 65 0 - 6.7-7.3 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 = 0.99: * HG2 GLN 83 + H ASP 84 OK 99 100 100 99 2.7-3.2 1.8/529=64, 3.9/525=60...(7) HG2 GLU 112 - H ASP 84 far 0 100 0 - 8.1-10.0 HG3 GLU 112 - H ASP 84 far 0 100 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 529 from nnoeabs.peaks (2.12, 8.21, 124.45 ppm; 4.55 A increased from 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + H ASP 84 OK 100 100 100 100 4.1-4.4 1.8/528=88, 3.9/525=72...(6) HB VAL 107 - H ASP 84 far 0 100 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 530 from nnoeabs.peaks (7.20, 8.21, 124.45 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 83 + H ASP 84 OK 100 100 100 100 4.2-5.3 10817=100, 3.5/528=95...(8) HE22 GLN 83 - H ASP 84 far 15 100 15 - 5.0-6.7 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 4.3-4.4 4.6=100 H GLU 89 - H GLN 85 far 0 73 0 - 7.5-7.9 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 = 0.92: * HA ASP 84 + H GLN 85 OK 92 100 100 92 2.2-2.3 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 3.0-3.8 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 2 assignments used, quality = 1.00: * HB3 ASP 84 + H GLN 85 OK 100 100 100 100 4.1-4.3 4.6=90, 3.0/533=87...(5) HE3 LYS 61 - H GLN 85 far 0 92 0 - 8.5-15.7 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 2.3-2.5 1928=98, 3.0/537=50...(10) H THR 108 - H ASP 86 far 0 84 0 - 8.2-8.7 H LYS 94 - H ASP 86 far 0 90 0 - 9.8-10.3 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 3.3-3.4 3.6=94, 3.0/536=57...(7) Violated in 0 structures by 0.00 A. Peak 538 from nnoeabs.peaks (2.17, 8.69, 120.51 ppm; 4.40 A increased from 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 85 + H ASP 86 OK 100 100 100 100 3.9-4.4 7737=100, 1.8/7738=95...(7) Violated in 0 structures by 0.00 A. Peak 539 from nnoeabs.peaks (2.04, 8.69, 120.51 ppm; 3.79 A): 1 out of 5 assignments used, quality = 0.85: * HB3 GLN 85 + H ASP 86 OK 85 100 85 100 3.2-4.1 7738=100, 3.0/537=62...(8) HB2 GLU 89 - H ASP 86 far 0 100 0 - 4.8-7.0 HB3 GLU 89 - H ASP 86 far 0 100 0 - 6.2-6.9 HB3 GLU 87 - H ASP 86 far 0 100 0 - 6.8-6.9 HB2 GLU 92 - H ASP 86 far 0 84 0 - 9.5-9.9 Violated in 3 structures by 0.04 A. Peak 540 from nnoeabs.peaks (2.41, 8.69, 120.51 ppm; 5.46 A increased from 4.37 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 85 + H ASP 86 OK 100 100 100 100 2.7-5.4 3.0/7738=96, 3.9/537=87...(6) HG3 GLN 85 + H ASP 86 OK 100 100 100 100 3.5-5.5 3.0/7738=96, 3.9/537=87...(6) Violated in 0 structures by 0.00 A. Peak 541 from nnoeabs.peaks (2.40, 8.69, 120.51 ppm; 5.46 A increased from 4.37 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 85 + H ASP 86 OK 100 100 100 100 3.5-5.5 3.0/7738=96, 3.9/537=87...(6) HG2 GLN 85 + H ASP 86 OK 100 100 100 100 2.7-5.4 3.0/7738=96, 3.9/537=87...(6) Violated in 0 structures by 0.00 A. Peak 545 from nnoeabs.peaks (4.68, 8.64, 123.60 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.93: * HA ASP 86 + H GLU 87 OK 93 100 100 93 2.1-2.2 7741=86, 3.0/546=25...(4) 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 3.6-4.2 7742=92, 3.0/545=88...(5) HE3 LYS 94 - H GLU 87 far 0 92 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 547 from nnoeabs.peaks (2.57, 8.64, 123.60 ppm; 4.81 A increased from 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 86 + H GLU 87 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 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 2.4-2.7 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 3.4-3.5 3.6=100 HA GLU 92 - H ASN 88 far 0 100 0 - 8.6-9.0 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 = 0.97: * HB2 GLU 87 + H ASN 88 OK 97 100 100 97 2.7-3.1 1.8/7746=61, 7745=59...(4) HB3 GLU 92 - H ASN 88 far 0 84 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 551 from nnoeabs.peaks (2.04, 8.53, 118.84 ppm; 4.34 A increased from 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 87 + H ASN 88 OK 100 100 100 100 4.0-4.3 7746=100, 1.8/550=90...(6) HB2 GLU 89 - H ASN 88 far 0 100 0 - 5.1-6.5 HB3 GLU 89 - H ASN 88 far 0 100 0 - 5.2-6.6 HB2 GLU 92 - H ASN 88 far 0 84 0 - 7.0-7.8 HB3 GLN 85 - H ASN 88 far 0 100 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 552 from nnoeabs.peaks (2.29, 8.53, 118.84 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLU 87 + H ASN 88 OK 99 100 100 99 3.8-3.9 7748=72, 5708/550=67...(7) HG3 GLU 89 - H ASN 88 far 0 73 0 - 4.3-5.9 ! HG2 GLU 87 - H ASN 88 far 0 100 0 - 4.5-4.6 HG3 GLU 91 - H ASN 88 far 0 96 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 553 from nnoeabs.peaks (2.29, 8.53, 118.84 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.99: * HG3 GLU 87 + H ASN 88 OK 99 100 100 99 3.8-3.9 7748=72, 5708/550=67...(7) HG3 GLU 89 - H ASN 88 far 0 73 0 - 4.3-5.9 HG2 GLU 87 - H ASN 88 far 0 100 0 - 4.5-4.6 HG3 GLU 91 - H ASN 88 far 0 96 0 - 7.4-7.7 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 2.8-3.0 1931=100, 1581/557=53...(7) 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 3.6-3.6 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 = 0.99: * HB2 ASN 88 + H GLU 89 OK 99 100 100 99 3.3-3.4 4.2=89, 1.8/557=81...(5) 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 2.2-2.3 4.2=76, 1.8/556=69...(7) HE3 LYS 94 - H GLU 89 far 0 87 0 - 8.9-10.7 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 2.4-2.6 1932=100, 5769/7756=44...(9) H ASP 84 - H LEU 90 far 0 73 0 - 6.9-7.4 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 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 562 from nnoeabs.peaks (2.04, 8.05, 119.58 ppm; 4.22 A increased from 3.97 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 89 + H LEU 90 OK 99 100 100 99 2.5-4.2 4.7=75, 5762/7756=61...(6) HB3 GLU 89 + H LEU 90 OK 99 100 100 99 3.7-4.2 4.7=75, 3.0/7756=57...(6) HB2 GLU 92 - H LEU 90 far 0 84 0 - 4.9-5.2 HB3 GLU 87 - H LEU 90 far 0 100 0 - 5.2-5.6 HB3 GLN 85 - H LEU 90 far 0 100 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 563 from nnoeabs.peaks (2.04, 8.05, 119.58 ppm; 4.22 A increased from 3.97 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + H LEU 90 OK 99 100 100 99 2.5-4.2 4.7=75, 5762/7756=61...(6) * HB3 GLU 89 + H LEU 90 OK 99 100 100 99 3.7-4.2 4.7=75, 3.0/7756=57...(6) HB2 GLU 92 - H LEU 90 far 0 84 0 - 4.9-5.2 HB3 GLU 87 - H LEU 90 far 0 100 0 - 5.2-5.6 HB3 GLN 85 - H LEU 90 far 0 100 0 - 7.9-9.2 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 2.2-4.9 7755=100, 1.8/7756=100...(5) HG3 GLU 92 + H LEU 90 OK 52 100 100 52 5.0-6.1 5764/3.6=49, 1.8/565=5 Violated in 0 structures by 0.00 A. Peak 565 from nnoeabs.peaks (2.31, 8.05, 119.58 ppm; 6.20 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLU 89 + H LEU 90 OK 100 100 100 100 2.0-4.4 7756=100, 1.8/7755=98...(5) HG2 GLU 87 + H LEU 90 OK 72 73 100 98 5.8-6.0 4.0/8164=86, 5.0/2129=65 HG3 GLU 87 + H LEU 90 OK 56 73 80 95 6.2-6.4 4.0/8164=86, 5.0/2129=65 HG2 GLU 92 - H LEU 90 poor 14 99 30 48 5.5-7.4 1.8/564=29, 5750/3.6=26 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 2.5-2.9 1933=54, 1592/568=36...(8) 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 2.5-2.7 1.8/569=63, 4.6=50...(7) Violated in 0 structures by 0.00 A. Peak 569 from nnoeabs.peaks (1.72, 7.94, 119.03 ppm; 4.04 A increased from 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + H GLU 91 OK 100 100 100 100 3.9-4.0 1.8/568=85, 4.6=67...(6) HB3 LYS 94 - H GLU 91 far 0 84 0 - 4.3-5.3 HB3 LYS 106 - H GLU 91 far 0 96 0 - 6.2-7.1 HB2 LYS 106 - H GLU 91 far 0 98 0 - 7.1-8.1 HB3 LEU 82 - H GLU 91 far 0 81 0 - 7.3-7.9 Violated in 2 structures by 0.00 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 2.8-3.2 3.0/568=76, 2.1/571=75...(8) HB2 LEU 82 - H GLU 91 far 0 65 0 - 7.4-7.9 Violated in 0 structures by 0.00 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 3.6-3.9 4.6=85, 3.1/568=72...(9) QG2 VAL 104 - H GLU 91 far 0 61 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 572 from nnoeabs.peaks (0.88, 7.94, 119.03 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 90 + H GLU 91 OK 100 100 100 100 4.0-4.3 4.6=85, 3.1/568=72...(8) QG2 VAL 104 - H GLU 91 far 0 100 0 - 8.7-9.3 Violated in 0 structures by 0.00 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 2.7-2.9 1934=100, 1599/575=65...(7) Violated in 0 structures by 0.00 A. Peak 574 from nnoeabs.peaks (4.07, 8.09, 118.67 ppm; 3.62 A increased from 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + H GLU 92 OK 100 100 100 100 3.6-3.6 3.6=100 HA LYS 96 - H GLU 92 far 0 96 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 575 from nnoeabs.peaks (2.13, 8.09, 118.67 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.96: * HB2 GLU 91 + H GLU 92 OK 96 100 100 96 2.3-2.4 7764=68, 1.8/7765=58...(6) HB3 GLU 92 - H GLU 92 far 0 65 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 576 from nnoeabs.peaks (2.07, 8.09, 118.67 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.72: HB2 GLU 92 + H GLU 92 OK 72 73 100 99 2.2-2.6 4.0=45, 3.0/1608=39...(20) ! HB3 GLU 91 - H GLU 92 far 0 100 0 - 3.4-3.5 HB2 LYS 94 - H GLU 92 far 0 100 0 - 4.7-6.1 HB3 GLU 98 - H GLU 92 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 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 3.5-3.6 3.6=100 HA GLU 87 - H PHE 93 far 0 100 0 - 7.3-7.7 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 = 0.86: * HB2 GLU 92 + H PHE 93 OK 86 100 95 91 2.3-3.5 1.8/7770=53, 7769=40...(7) HB2 LYS 94 - H PHE 93 far 0 70 0 - 4.3-5.4 HB3 GLU 89 - H PHE 93 far 0 84 0 - 5.1-6.8 HB2 GLU 89 - H PHE 93 far 0 84 0 - 5.3-6.2 HB3 GLU 91 - H PHE 93 far 0 73 0 - 5.5-6.0 HB3 GLU 87 - H PHE 93 far 0 84 0 - 8.7-9.1 HB3 GLU 98 - H PHE 93 far 0 100 0 - 9.2-9.6 Violated in 1 structures by 0.03 A. Peak 582 from nnoeabs.peaks (2.11, 8.10, 120.12 ppm; 3.48 A increased from 3.09 A): 1 out of 3 assignments used, quality = 0.95: * HB3 GLU 92 + H PHE 93 OK 95 100 95 100 2.9-3.8 7770=100, 1.8/581=86...(7) HB2 GLU 91 - H PHE 93 far 0 65 0 - 4.8-5.2 HB2 GLU 87 - H PHE 93 far 0 84 0 - 9.1-9.6 Violated in 1 structures by 0.02 A. Peak 583 from nnoeabs.peaks (2.32, 8.10, 120.12 ppm; 5.13 A increased from 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 92 + H PHE 93 OK 100 100 100 100 3.3-5.0 3.0/581=98, 5868/7770=96...(6) HG3 GLU 89 - H PHE 93 far 0 99 0 - 5.5-7.8 Violated in 0 structures by 0.00 A. Peak 584 from nnoeabs.peaks (2.27, 8.10, 120.12 ppm; 4.75 A increased from 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 92 + H PHE 93 OK 100 100 100 100 1.6-4.7 5858/581=97, 3.0/7770=87...(6) HG2 GLU 89 - H PHE 93 far 0 100 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 585 from nnoeabs.peaks (8.10, 8.61, 118.94 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 93 + H LYS 94 OK 100 100 100 100 2.3-2.7 1936=98, 1612/588=43...(7) H GLU 92 - H LYS 94 far 0 77 0 - 3.9-4.2 H SER 99 - H LYS 94 far 0 99 0 - 8.2-8.5 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 2 assignments used, quality = 1.00: * HA PHE 93 + H LYS 94 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 98 - H LYS 94 far 0 99 0 - 8.0-8.3 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 = 1.00: * HB2 PHE 93 + H LYS 94 OK 100 100 100 100 3.8-4.0 1.8/588=83, 4.3=79...(6) Violated in 2 structures by 0.00 A. Peak 588 from nnoeabs.peaks (3.04, 8.61, 118.94 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.98: * HB3 PHE 93 + H LYS 94 OK 98 100 100 98 2.7-2.9 1.8/587=65, 4.3=61...(9) HE2 LYS 94 - H LYS 94 far 0 70 0 - 4.5-6.6 Violated in 0 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 4.2-4.4 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 2.7-3.0 1937=100, 1619/595=51...(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): 1 out of 4 assignments used, quality = 0.79: * HB2 LYS 94 + H ARG 95 OK 79 100 80 98 2.0-3.8 1.8/596=61, 4.4=52...(8) HB3 GLU 98 - H ARG 95 far 0 70 0 - 5.0-5.5 HB3 GLU 91 - H ARG 95 far 0 100 0 - 5.1-5.9 HB2 GLU 92 - H ARG 95 far 0 70 0 - 5.7-6.4 Violated in 4 structures by 0.06 A. Peak 596 from nnoeabs.peaks (1.74, 8.16, 117.19 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 94 + H ARG 95 OK 100 100 100 100 2.3-3.9 1.8/595=85, 4.4=72...(8) HB3 LEU 90 - H ARG 95 far 0 84 0 - 7.9-8.5 HB3 LEU 82 - H ARG 95 far 0 100 0 - 8.3-9.0 HB2 LYS 106 - H ARG 95 far 0 61 0 - 8.6-10.0 Violated in 0 structures by 0.00 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 2.5-4.7 3.0/595=85, 1.8/598=80...(8) Violated in 0 structures by 0.00 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 3.5-4.7 3.0/595=84, 1.8/597=78...(8) Violated in 1 structures by 0.00 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: HD3 LYS 94 + H ARG 95 OK 100 100 100 100 2.8-5.0 3.6/595=86, 3.6/596=80...(8) * HD2 LYS 94 + H ARG 95 OK 90 100 90 100 2.4-5.5 3.6/595=86, 3.6/596=80...(8) 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: * HD3 LYS 94 + H ARG 95 OK 100 100 100 100 2.8-5.0 3.6/595=86, 3.6/596=80...(8) HD2 LYS 94 + H ARG 95 OK 90 100 90 100 2.4-5.5 3.6/595=86, 3.6/596=80...(8) 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=49...(9) 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 3.5-3.6 3.6=100 HA GLU 89 - H LYS 96 far 0 100 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 605 from nnoeabs.peaks (1.90, 7.79, 119.58 ppm; 3.60 A increased from 3.38 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 96 + H LYS 96 OK 99 99 100 100 2.2-3.5 6081=99, 1.8/6091=84...(19) * HB2 ARG 95 + H LYS 96 OK 73 100 75 97 2.5-4.1 1629/1938=58...(9) Violated in 0 structures by 0.00 A. Peak 606 from nnoeabs.peaks (1.97, 7.79, 119.58 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: HB3 LYS 96 + H LYS 96 OK 100 100 100 100 2.1-3.0 6091=100, 1.8/6081=64...(24) ! HB3 ARG 95 - H LYS 96 far 0 100 0 - 3.7-4.0 Violated in 0 structures by 0.00 A. Peak 607 from nnoeabs.peaks (1.88, 7.79, 119.58 ppm; 4.18 A increased from 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 95 + H LYS 96 OK 100 100 100 100 2.5-4.2 1631/1938=73...(10) Violated in 2 structures by 0.00 A. Peak 608 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.83 A increased from 4.55 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + H LYS 96 OK 100 100 100 100 2.1-4.9 7792=100, 1.8/607=92...(9) HD2 LYS 96 + H LYS 96 OK 69 99 70 100 2.0-5.0 6077/2.9=89, 3.4/6091=86...(26) HD3 LYS 96 + H LYS 96 OK 58 97 60 100 3.1-5.4 3.4/6091=86, 3.4/6081=81...(28) 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 98 100 100 98 2.7-2.9 1939=91, 6091/7797=37...(8) H LYS 40 + H LYS 39 OK 85 86 100 99 2.4-2.7 218=96, 220/3568=43...(8) H GLU 66 - H LYS 39 far 0 58 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 612 from nnoeabs.peaks (4.07, 7.83, 118.55 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 96 + H ILE 97 OK 100 100 100 100 3.6-3.6 3.6=100 HA SER 35 + H LYS 39 OK 40 51 85 92 3.9-4.4 8033=29, 3.6/9348=28...(12) HA GLU 37 - H LYS 39 far 0 88 0 - 4.3-4.8 HA GLU 91 - H ILE 97 far 0 96 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 613 from nnoeabs.peaks (1.90, 7.83, 118.55 ppm; 3.70 A increased from 3.48 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 96 + H ILE 97 OK 100 100 100 100 3.0-3.5 7796=100, 1.8/7797=86...(9) HB2 ARG 95 - H ILE 97 far 0 99 0 - 5.1-6.1 HB2 LYS 43 - H LYS 39 far 0 88 0 - 6.7-7.5 HB3 LYS 43 - H LYS 39 far 0 92 0 - 8.3-9.0 HG LEU 45 - H LYS 39 far 0 51 0 - 8.9-9.4 HB2 LYS 44 - H LYS 39 far 0 80 0 - 9.2-10.0 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 2.5-2.8 7797=100, 1.8/7796=62...(7) HB2 LYS 40 - H LYS 39 far 0 51 0 - 4.3-4.5 HB3 ARG 95 - H ILE 97 far 0 100 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 615 from nnoeabs.peaks (1.44, 7.83, 118.55 ppm; 4.20 A increased from 3.95 A): 1 out of 6 assignments used, quality = 0.58: HG2 LYS 39 + H LYS 39 OK 58 58 100 100 2.7-4.1 1.8/618=90, 2.9/3568=83...(14) ! HG2 LYS 96 - H ILE 97 far 0 100 0 - 4.9-5.0 HB3 LEU 63 - H LYS 39 far 0 68 0 - 6.7-7.8 HG LEU 80 - H ILE 97 far 0 100 0 - 7.0-7.5 HG3 LYS 44 - H LYS 39 far 0 91 0 - 9.0-9.9 HB3 LYS 61 - H ILE 97 far 0 96 0 - 9.6-12.0 Violated in 0 structures by 0.00 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 4.8-5.0 5.0=100 HB3 LEU 70 - H LYS 39 far 0 92 0 - 7.8-8.8 HG LEU 68 - H ILE 97 far 0 65 0 - 8.5-9.3 HG2 LYS 44 - H LYS 39 far 0 75 0 - 8.7-9.8 HD3 LYS 106 - H ILE 97 far 0 96 0 - 8.8-11.3 HD2 LYS 106 - H ILE 97 far 0 94 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 617 from nnoeabs.peaks (1.68, 7.83, 118.55 ppm; 3.59 A): 1 out of 9 assignments used, quality = 0.54: HG3 LYS 39 + H LYS 39 OK 54 55 100 99 1.8-3.0 2.9/3568=66, 1.8/615=56...(14) ! HD2 LYS 96 - H ILE 97 far 0 100 0 - 3.9-4.6 HD3 LYS 96 - H ILE 97 far 0 100 0 - 4.3-6.0 HD2 LYS 40 - H LYS 39 far 0 92 0 - 4.4-7.5 HG3 ARG 95 - H ILE 97 far 0 99 0 - 4.8-7.2 HD3 LYS 40 - H LYS 39 far 0 92 0 - 5.7-7.9 HD2 LYS 43 - H LYS 39 far 0 91 0 - 7.1-9.3 HD3 LYS 43 - H LYS 39 far 0 91 0 - 7.6-9.3 HG12 ILE 71 - H LYS 39 far 0 72 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 618 from nnoeabs.peaks (1.68, 7.83, 118.55 ppm; 3.59 A): 1 out of 9 assignments used, quality = 0.61: HG3 LYS 39 + H LYS 39 OK 61 62 100 99 1.8-3.0 2.9/3568=66, 1.8/615=56...(14) HD2 LYS 96 - H ILE 97 far 0 100 0 - 3.9-4.6 ! HD3 LYS 96 - H ILE 97 far 0 100 0 - 4.3-6.0 HD2 LYS 40 - H LYS 39 far 0 92 0 - 4.4-7.5 HG3 ARG 95 - H ILE 97 far 0 97 0 - 4.8-7.2 HD3 LYS 40 - H LYS 39 far 0 91 0 - 5.7-7.9 HD2 LYS 43 - H LYS 39 far 0 90 0 - 7.1-9.3 HD3 LYS 43 - H LYS 39 far 0 92 0 - 7.6-9.3 HG12 ILE 71 - H LYS 39 far 0 77 0 - 9.8-10.9 Violated in 0 structures by 0.00 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 2.3-2.5 1940=91, 1647/623=42...(9) 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 3.4-3.5 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 1 assignment used, quality = 0.99: * HB ILE 97 + H GLU 98 OK 99 100 100 99 3.0-3.2 4.4=69, 1647/621=58...(10) 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 3.5-3.9 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 4.3-5.4 2.9/623=98, 1649/621=92...(8) Violated in 0 structures by 0.00 A. Peak 626 from nnoeabs.peaks (0.93, 8.67, 121.98 ppm; 4.65 A increased from 4.13 A): 2 out of 2 assignments used, quality = 0.98: * HG13 ILE 97 + H GLU 98 OK 95 100 95 100 4.4-5.1 2.9/623=78, 1650/621=76...(7) QG1 VAL 104 + H GLU 98 OK 60 99 60 100 4.5-5.0 2.1/11510=77...(11) Violated in 0 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 4.7-4.9 7809=100, 3.2/623=96...(10) 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 2.6-2.7 1941=89, 6215/7812=59...(8) H VAL 104 - H SER 99 far 0 61 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 629 from nnoeabs.peaks (4.34, 8.10, 115.50 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.97: HA SER 99 + H SER 99 OK 97 97 100 100 2.8-2.9 2.9=100 ! HA GLU 98 - H SER 99 far 0 100 0 - 3.4-3.5 HA PHE 93 - H SER 99 far 0 99 0 - 8.1-8.5 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 3.6-3.9 1.8/7812=92, 4.3=79...(6) Violated in 0 structures by 0.00 A. Peak 631 from nnoeabs.peaks (2.05, 8.10, 115.50 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 98 + H SER 99 OK 100 100 100 100 2.6-3.2 7812=100, 1.8/630=78...(6) HB3 GLN 100 - H SER 99 far 0 99 0 - 4.5-5.9 HB2 LYS 94 - H SER 99 far 0 70 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 632 from nnoeabs.peaks (2.38, 8.10, 115.50 ppm; 5.08 A increased from 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + H SER 99 OK 100 100 100 100 4.7-5.1 4.9=100 Violated in 1 structures by 0.00 A. Peak 633 from nnoeabs.peaks (2.44, 8.10, 115.50 ppm; 5.31 A increased from 5.00 A): 2 out of 3 assignments used, quality = 0.88: HG2 GLN 100 + H SER 99 OK 75 99 90 84 3.7-6.8 6269/1942=68...(3) * HG3 GLU 98 + H SER 99 OK 50 100 50 100 4.8-5.5 4.9=100 HG3 GLU 69 - H SER 99 far 0 100 0 - 9.5-14.1 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 = 0.98: * H SER 99 + H GLN 100 OK 98 100 100 98 2.3-2.6 1942=92, 1661/4.5=26...(7) H ALA 113 + H LYS 115 OK 22 34 75 88 3.9-4.5 3.6/8244=52, 4.6/1957=44...(6) 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 61 97 95 67 3.7-4.3 3.6/1942=52...(3) HA PHE 93 - H GLN 100 far 0 100 0 - 9.3-9.8 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 = 0.82: * H GLN 100 + H GLY 101 OK 82 100 100 82 2.7-3.1 1943=49, 1665/7820=33...(6) H GLU 69 - H GLY 101 far 0 99 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 639 from nnoeabs.peaks (4.31, 7.95, 105.77 ppm; 3.79 A increased from 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 100 + H GLY 101 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 641 from nnoeabs.peaks (2.05, 7.95, 105.77 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 100 + H GLY 101 OK 100 100 100 100 2.0-3.3 4.4=100 HB3 GLU 98 - H GLY 101 far 0 99 0 - 5.9-6.5 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 4.2-4.8 3.0/7820=91, 6270/3.6=88...(4) HG3 GLU 98 - H GLY 101 far 5 99 5 - 5.5-7.5 HG3 GLU 69 - H GLY 101 far 0 99 0 - 8.2-12.1 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 3.9-4.7 6266/7820=99...(4) 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 1.9-2.2 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 1 assignment used, quality = 1.00: * HA2 GLY 101 + H TYR 102 OK 100 100 100 100 2.6-3.4 3.6=100 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 3 assignments used, quality = 1.00: * HA3 GLY 101 + H TYR 102 OK 100 100 100 100 3.1-3.6 3.6=100 HB2 SER 99 - H TYR 102 far 0 84 0 - 7.3-8.3 HB3 SER 99 - H TYR 102 far 0 84 0 - 7.3-8.1 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 4.3-4.6 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 2.2-2.4 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 2 assignments used, quality = 1.00: * HB2 TYR 102 + H GLU 103 OK 100 100 100 100 3.4-4.1 4.6=100 HG3 GLU 119 - H GLU 103 far 0 84 0 - 9.8-14.3 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 2.4-3.3 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 4.0-4.6 4.7=100 HZ PHE 79 - H GLU 103 far 0 98 0 - 6.8-8.1 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 4.2-4.6 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 = 0.94: * HA GLU 103 + H VAL 104 OK 94 100 100 94 2.1-2.2 7831=81, 3.0/660=23...(8) Violated in 0 structures by 0.00 A. Peak 659 from nnoeabs.peaks (2.09, 8.65, 124.34 ppm; 4.85 A increased from 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 103 + H VAL 104 OK 100 100 100 100 4.4-4.6 4.7=100 HB2 LYS 94 - H VAL 104 far 0 70 0 - 6.7-8.4 HB3 PHE 79 - H VAL 104 far 0 87 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 660 from nnoeabs.peaks (1.99, 8.65, 124.34 ppm; 4.48 A increased from 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 103 + H VAL 104 OK 100 100 100 100 3.3-4.3 3.0/658=90, 4.7=89...(6) HB3 ARG 95 - H VAL 104 far 0 70 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 661 from nnoeabs.peaks (2.26, 8.65, 124.34 ppm; 5.04 A increased from 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 103 + H VAL 104 OK 100 100 100 100 3.5-5.0 1.8/7835=96, 7834=88...(5) Violated in 1 structures by 0.00 A. Peak 662 from nnoeabs.peaks (2.32, 8.65, 124.34 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.95: * HG3 GLU 103 + H VAL 104 OK 95 100 95 100 3.4-4.5 7835=100, 4.0/658=71...(5) Violated in 2 structures by 0.01 A. Peak 664 from nnoeabs.peaks (5.23, 8.71, 124.86 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.90: * HA VAL 104 + H ARG 105 OK 90 100 100 90 2.1-2.2 7836=61, 3.2/666=38...(7) 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 4.0-4.4 4.4=96, 2.1/666=91...(7) Violated in 1 structures by 0.00 A. Peak 666 from nnoeabs.peaks (0.93, 8.71, 124.86 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.97: * QG1 VAL 104 + H ARG 105 OK 97 100 100 97 2.2-2.9 3.2/664=57, 4.2=54...(7) HG13 ILE 97 - H ARG 105 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 667 from nnoeabs.peaks (0.88, 8.71, 124.86 ppm; 4.23 A increased from 3.38 A): 1 out of 5 assignments used, quality = 0.99: * QG2 VAL 104 + H ARG 105 OK 99 100 100 99 3.8-4.1 4.2=99 QD1 LEU 90 - H ARG 105 far 0 61 0 - 5.5-6.1 QD2 LEU 90 - H ARG 105 far 0 100 0 - 6.0-6.9 QG2 VAL 117 - H ARG 105 far 0 61 0 - 7.4-8.0 QG2 VAL 107 - H ARG 105 far 0 73 0 - 7.6-7.9 Violated in 0 structures by 0.00 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 4.4-4.5 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 = 0.95: * HA ARG 105 + H LYS 106 OK 95 100 100 95 2.2-2.3 7840=81, 3.0/670=35...(8) HA LEU 82 - H LYS 106 far 0 99 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 670 from nnoeabs.peaks (1.86, 8.81, 121.50 ppm; 4.00 A increased from 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 105 + H LYS 106 OK 100 100 100 100 2.8-3.9 4.2=86, 3.0/669=75...(9) HG2 ARG 95 - H LYS 106 far 0 61 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 671 from nnoeabs.peaks (1.82, 8.81, 121.50 ppm; 4.49 A increased from 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + H LYS 106 OK 100 100 100 100 3.9-4.3 4.2=100 HG2 ARG 105 + H LYS 106 OK 22 90 25 100 3.7-5.1 1.8/673=78, 3.0/670=72...(7) Violated in 0 structures by 0.00 A. Peak 672 from nnoeabs.peaks (1.80, 8.81, 121.50 ppm; 4.37 A increased from 3.89 A): 2 out of 2 assignments used, quality = 0.92: HB3 ARG 105 + H LYS 106 OK 90 90 100 100 3.9-4.3 4.2=100 * HG2 ARG 105 + H LYS 106 OK 25 100 25 100 3.7-5.1 1.8/673=75, 6415/670=70...(7) Violated in 0 structures by 0.00 A. Peak 673 from nnoeabs.peaks (1.75, 8.81, 121.50 ppm; 4.49 A increased from 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 105 + H LYS 106 OK 100 100 100 100 2.0-4.3 3.0/670=72, 4.0/669=70...(8) HB3 LYS 94 - H LYS 106 far 0 70 0 - 6.4-7.9 HB3 LEU 82 - H LYS 106 far 0 73 0 - 6.9-7.7 HB2 LEU 80 - H LYS 106 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 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 3.4-4.8 7845=100, 1.8/7846=96...(7) 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 1.9-4.1 7846=100, 6438/669=82...(7) 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 = 0.95: * HA LYS 106 + H VAL 107 OK 95 100 100 95 2.2-2.3 7847=58, 3.0/678=39...(11) Violated in 0 structures by 0.00 A. Peak 678 from nnoeabs.peaks (1.72, 8.55, 118.79 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.94: HB3 LYS 106 + H VAL 107 OK 94 100 100 94 2.8-3.3 3.0/677=60, 4.6=38...(8) ! HB2 LYS 106 - H VAL 107 far 0 100 0 - 3.9-4.3 HB3 LEU 90 - H VAL 107 far 0 98 0 - 5.9-6.3 HB3 LYS 94 - H VAL 107 far 0 61 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 679 from nnoeabs.peaks (1.71, 8.55, 118.79 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.94: * HB3 LYS 106 + H VAL 107 OK 94 100 100 94 2.8-3.3 3.0/677=60, 4.6=38...(8) HB2 LYS 106 - H VAL 107 far 0 100 0 - 3.9-4.3 HB3 LEU 90 - H VAL 107 far 0 96 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 680 from nnoeabs.peaks (1.46, 8.55, 118.79 ppm; 4.55 A increased from 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 106 + H VAL 107 OK 100 100 100 100 3.6-4.3 2.9/678=85, 3.9/677=76...(7) HG LEU 80 - H VAL 107 far 0 61 0 - 8.5-9.0 HG12 ILE 7 - H VAL 107 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 681 from nnoeabs.peaks (1.40, 8.55, 118.79 ppm; 5.04 A increased from 4.03 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 106 + H VAL 107 OK 100 100 100 100 4.7-5.1 2.9/678=94, 1.8/680=90...(7) HB3 GLN 83 + H VAL 107 OK 62 65 100 95 4.5-5.0 3.0/10302=87...(3) QB ALA 113 - H VAL 107 far 0 96 0 - 5.5-6.6 Violated in 0 structures by 0.00 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 2.2-2.2 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; 4.23 A increased from 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 107 + H THR 108 OK 100 100 100 100 3.9-4.2 7857=89, 2.1/7858=87...(7) HG3 GLN 83 - H THR 108 far 0 100 0 - 4.6-5.4 HB2 GLU 111 - H THR 108 far 0 70 0 - 7.7-9.8 Violated in 1 structures by 0.00 A. Peak 689 from nnoeabs.peaks (0.87, 8.60, 114.07 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 107 + H THR 108 OK 100 100 100 100 2.0-2.4 7858=100, 3.2/687=58...(8) QD2 LEU 90 - H THR 108 far 0 81 0 - 5.2-5.8 QD1 LEU 14 - H THR 108 far 0 94 0 - 7.0-7.5 QG2 VAL 117 - H THR 108 far 0 100 0 - 9.1-9.8 QG2 THR 9 - H THR 108 far 0 99 0 - 9.4-9.7 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 4 assignments used, quality = 1.00: * QG1 VAL 107 + H THR 108 OK 100 100 100 100 3.8-4.0 7859=99, 2.1/7858=83...(9) QD2 LEU 14 - H THR 108 far 0 100 0 - 7.0-7.5 QG2 ILE 7 - H THR 108 far 0 61 0 - 8.6-9.1 QD1 LEU 82 - H THR 108 far 0 77 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 691 from nnoeabs.peaks (8.60, 8.04, 122.57 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.96: * H THR 108 + H ASP 109 OK 96 100 100 96 1.9-1.9 1951=79, 7858/10354=36...(8) H GLN 85 - H ASP 109 far 0 84 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 692 from nnoeabs.peaks (4.78, 8.04, 122.57 ppm; 3.61 A increased from 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 108 + H ASP 109 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 693 from nnoeabs.peaks (4.22, 8.04, 122.57 ppm; 4.13 A increased from 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 108 + H ASP 109 OK 100 100 100 100 3.9-4.2 7861=95, 2.1/694=67...(5) Violated in 3 structures by 0.01 A. Peak 694 from nnoeabs.peaks (1.25, 8.04, 122.57 ppm; 4.31 A increased from 3.83 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 108 + H ASP 109 OK 100 100 100 100 3.8-4.1 4.4=96, 2.1/693=77...(4) Violated in 0 structures by 0.00 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 4.5-4.6 4.6=99, 3.0/696=94...(8) 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 = 0.82: * HA ASP 109 + H ASP 110 OK 82 100 100 82 2.2-2.3 3.6=47, 3.0/698=34...(5) HA THR 9 - H ASP 110 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 697 from nnoeabs.peaks (2.82, 8.70, 122.85 ppm; 4.19 A increased from 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 109 + H ASP 110 OK 100 100 100 100 3.7-4.2 1.8/698=93, 4.4=87...(9) Violated in 1 structures by 0.00 A. Peak 698 from nnoeabs.peaks (2.73, 8.70, 122.85 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.93: * HB3 ASP 109 + H ASP 110 OK 93 100 95 98 2.9-3.5 3.0/696=65, 1.8/697=51...(11) HB3 ASN 11 - H ASP 110 far 0 77 0 - 7.1-8.1 Violated in 1 structures by 0.01 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 2.5-2.7 1953=100, 1726/702=51...(7) 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 3.5-4.2 7867=100, 1.8/702=82...(4) HG2 GLN 85 - H GLU 111 far 0 94 0 - 9.8-13.9 HG3 GLN 85 - H GLU 111 far 0 90 0 - 10.0-14.1 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 = 0.99: * HB3 ASP 110 + H GLU 111 OK 99 100 100 99 2.6-4.1 7868=89, 1.8/7867=72...(4) Violated in 3 structures by 0.00 A. Peak 704 from nnoeabs.peaks (3.99, 8.23, 121.40 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.94: HA GLU 112 + H GLU 112 OK 94 94 100 100 2.8-2.9 3.0=100 ! HA GLU 111 - H GLU 112 far 0 100 0 - 3.4-3.5 HA LEU 14 - H GLU 112 far 0 100 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 705 from nnoeabs.peaks (2.10, 8.23, 121.40 ppm; 2.79 A): 2 out of 7 assignments used, quality = 0.85: HB3 GLU 112 + H GLU 112 OK 66 73 100 90 2.2-2.9 4.0=33, 7875/709=24...(16) HB2 GLU 112 + H GLU 112 OK 57 77 85 87 2.4-3.6 4.0=33, 6623/3.0=33...(13) ! HB2 GLU 111 - H GLU 112 poor 16 100 20 78 2.7-4.0 1.8/7871=38, 7870=33...(7) HB VAL 107 - H GLU 112 far 0 70 0 - 5.9-6.7 HG3 GLN 83 - H GLU 112 far 0 65 0 - 6.2-7.1 HG3 GLU 21 - H GLU 112 far 0 99 0 - 9.0-11.2 HG2 GLU 21 - H GLU 112 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 706 from nnoeabs.peaks (2.02, 8.23, 121.40 ppm; 3.85 A increased from 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 111 + H GLU 112 OK 100 100 100 100 3.3-3.8 7871=100, 1.8/7870=70...(6) Violated in 0 structures by 0.00 A. Peak 707 from nnoeabs.peaks (2.29, 8.23, 121.40 ppm; 4.95 A increased from 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 7872=100, 3.0/7871=85...(7) HG3 GLU 111 + H GLU 112 OK 29 65 45 100 2.4-5.4 3.0/7871=85, 1.8/7872=82...(7) Violated in 0 structures by 0.00 A. Peak 708 from nnoeabs.peaks (2.27, 8.23, 121.40 ppm; 5.03 A increased from 4.73 A): 2 out of 2 assignments used, quality = 0.84: HG2 GLU 111 + H GLU 112 OK 65 65 100 100 2.1-4.9 3.0/7871=86, 3.0/7870=83...(7) * HG3 GLU 111 + H GLU 112 OK 55 100 55 100 2.4-5.4 3.0/7871=86, 1.8/7872=84...(7) 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 2.4-2.8 1955=87, 4.0/712=34...(10) H GLU 112 - H VAL 117 far 0 97 0 - 7.9-8.4 H ILE 15 - H ALA 113 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 710 from nnoeabs.peaks (4.00, 8.12, 120.32 ppm; 3.83 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 112 + H ALA 113 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 111 - H ALA 113 far 0 94 0 - 4.4-4.6 HA GLU 112 - H VAL 117 far 0 97 0 - 6.1-6.8 HA LEU 14 - H ALA 113 far 0 87 0 - 6.7-7.2 HA GLU 111 - H VAL 117 far 0 89 0 - 8.2-8.8 HA LEU 14 - H VAL 117 far 0 81 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 711 from nnoeabs.peaks (2.08, 8.12, 120.32 ppm; 3.09 A): 1 out of 10 assignments used, quality = 0.94: HB3 GLU 112 + H ALA 113 OK 94 100 100 94 2.4-2.8 7875=76, 4.0/709=33...(11) ! HB2 GLU 112 - H ALA 113 far 10 100 10 - 3.1-3.9 HG2 GLU 119 - H VAL 117 far 0 91 0 - 4.4-5.4 HB2 GLU 111 - H ALA 113 far 0 77 0 - 5.1-6.2 HB2 GLU 112 - H VAL 117 far 0 97 0 - 6.4-8.7 HB3 MET 121 - H VAL 117 far 0 92 0 - 6.7-7.3 HB3 GLU 112 - H VAL 117 far 0 97 0 - 7.1-7.9 HB3 PHE 79 - H VAL 117 far 0 89 0 - 8.1-8.7 HG2 GLU 119 - H ALA 113 far 0 96 0 - 9.2-9.9 HB2 GLU 111 - H VAL 117 far 0 72 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 712 from nnoeabs.peaks (2.08, 8.12, 120.32 ppm; 3.09 A): 1 out of 11 assignments used, quality = 0.94: * HB3 GLU 112 + H ALA 113 OK 94 100 100 94 2.4-2.8 7876=76, 4.0/709=33...(11) HB2 GLU 112 - H ALA 113 far 10 100 10 - 3.1-3.9 HG2 GLU 119 - H VAL 117 far 0 92 0 - 4.4-5.4 HB2 GLU 111 - H ALA 113 far 0 73 0 - 5.1-6.2 HB2 GLU 112 - H VAL 117 far 0 97 0 - 6.4-8.7 HB3 MET 121 - H VAL 117 far 0 94 0 - 6.7-7.3 HB3 GLU 112 - H VAL 117 far 0 97 0 - 7.1-7.9 HB3 PHE 79 - H VAL 117 far 0 91 0 - 8.1-8.7 HB2 GLU 13 - H ALA 113 far 0 61 0 - 9.2-9.9 HG2 GLU 119 - H ALA 113 far 0 97 0 - 9.2-9.9 HB2 GLU 111 - H VAL 117 far 0 68 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 713 from nnoeabs.peaks (2.34, 8.12, 120.32 ppm; 4.79 A): 2 out of 7 assignments used, quality = 0.99: * HG2 GLU 112 + H ALA 113 OK 95 100 95 100 3.6-5.0 3.0/712=93, 4.9/709=62...(14) HG3 GLU 112 + H ALA 113 OK 85 100 85 100 3.6-5.0 3.0/711=93, 6640/3.6=65...(15) HG3 GLU 112 - H VAL 117 far 0 97 0 - 5.9-9.3 HG2 GLN 83 - H ALA 113 far 0 100 0 - 5.9-6.6 HG2 GLU 112 - H VAL 117 far 0 97 0 - 6.0-9.1 HB3 PHE 120 - H VAL 117 far 0 94 0 - 7.2-7.4 HG3 GLU 103 - H VAL 117 far 0 75 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 714 from nnoeabs.peaks (2.34, 8.12, 120.32 ppm; 4.79 A): 2 out of 7 assignments used, quality = 0.99: HG2 GLU 112 + H ALA 113 OK 95 100 95 100 3.6-5.0 3.0/712=93, 4.9/709=62...(14) * HG3 GLU 112 + H ALA 113 OK 85 100 85 100 3.6-5.0 3.0/711=93, 6646/3.6=65...(15) HG3 GLU 112 - H VAL 117 far 0 97 0 - 5.9-9.3 HG2 GLN 83 - H ALA 113 far 0 100 0 - 5.9-6.6 HG2 GLU 112 - H VAL 117 far 0 97 0 - 6.0-9.1 HB3 PHE 120 - H VAL 117 far 0 95 0 - 7.2-7.4 HG3 GLU 103 - H VAL 117 far 0 72 0 - 9.5-13.6 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 2.7-2.9 1956=97, 1741/717=64...(10) H VAL 117 - H LEU 114 far 0 100 0 - 4.8-5.2 Violated in 0 structures by 0.00 A. Peak 716 from nnoeabs.peaks (3.80, 7.74, 116.90 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 113 + H LEU 114 OK 100 100 100 100 3.5-3.5 3.6=100 HA LYS 115 - H LEU 114 far 0 100 0 - 5.0-5.2 Violated in 0 structures by 0.00 A. Peak 717 from nnoeabs.peaks (1.41, 7.74, 116.90 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.95: * QB ALA 113 + H LEU 114 OK 95 100 100 95 2.7-2.9 7880=58, 1741/715=42...(10) HB3 LEU 114 - H LEU 114 far 0 84 0 - 3.6-3.6 HB3 GLN 83 - H LEU 114 far 0 92 0 - 7.4-7.9 HG3 LYS 17 - H LEU 114 far 0 61 0 - 8.1-8.6 Violated in 3 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 = 0.99: * H LEU 114 + H LYS 115 OK 99 100 100 99 2.3-2.6 1957=90, 1744/720=42...(12) Violated in 0 structures by 0.00 A. Peak 719 from nnoeabs.peaks (3.71, 7.62, 119.07 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 114 + H LYS 115 OK 100 100 100 100 3.4-3.6 3.6=100 HA2 GLY 101 - H GLN 100 far 0 58 0 - 4.8-5.1 Violated in 0 structures by 0.00 A. Peak 720 from nnoeabs.peaks (1.74, 7.62, 119.07 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.97: * HB2 LEU 114 + H LYS 115 OK 97 100 100 97 2.4-3.2 4.3=61, 1744/718=58...(5) HG2 ARG 118 - H LYS 115 far 0 98 0 - 4.4-6.0 HB2 LEU 68 - H GLN 100 far 0 52 0 - 7.8-8.5 HB2 LEU 80 - H GLN 100 far 0 37 0 - 8.3-8.8 HG3 ARG 105 - H LYS 115 far 0 70 0 - 8.6-11.7 HB3 LYS 94 - H GLN 100 far 0 67 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 721 from nnoeabs.peaks (1.40, 7.62, 119.07 ppm; 4.34 A increased from 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 114 + H LYS 115 OK 100 100 100 100 3.7-4.3 4.3=100 QB ALA 113 + H LYS 115 OK 46 84 55 99 4.2-4.8 1745/718=82, 10408=46...(9) HB3 LEU 68 - H GLN 100 far 0 42 0 - 6.9-7.8 HG LEU 14 - H LYS 115 far 0 61 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 722 from nnoeabs.peaks (1.65, 7.62, 119.07 ppm; 4.06 A increased from 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 114 + H LYS 115 OK 100 100 100 100 3.8-4.0 7884=99, 1746/718=70...(7) HD2 LYS 115 - H LYS 115 far 5 99 5 - 3.4-5.2 HD3 LYS 115 - H LYS 115 far 5 96 5 - 2.8-6.0 HD2 LYS 65 - H GLN 100 far 0 66 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 723 from nnoeabs.peaks (0.81, 7.62, 119.07 ppm; 4.84 A increased from 4.56 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 114 + H LYS 115 OK 100 100 100 100 4.3-4.8 4.9=98, 2.1/1755=90...(8) QD1 LEU 81 - H LYS 115 far 0 73 0 - 6.1-6.7 QG2 ILE 71 - H GLN 100 far 0 52 0 - 9.2-10.6 QD1 LEU 64 - H GLN 100 far 0 58 0 - 9.2-9.8 QD2 LEU 82 - H GLN 100 far 0 31 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 724 from nnoeabs.peaks (0.67, 7.62, 119.07 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.89: * QD2 LEU 114 + H LYS 115 OK 85 100 85 100 4.3-4.6 7886=93, 2.1/1755=81...(9) QG2 ILE 97 + H GLN 100 OK 24 52 100 47 3.5-3.9 3.2/11311=29...(4) QD1 ILE 116 - H LYS 115 poor 18 92 20 - 3.9-5.1 QD1 LEU 55 - H LYS 115 far 0 81 0 - 9.1-9.9 QD1 ILE 71 - H GLN 100 far 0 42 0 - 9.1-10.3 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 2.4-2.6 1958=100, 1753/729=35...(12) HE ARG 105 - H ILE 116 far 0 65 0 - 6.6-9.8 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 98 100 100 98 3.3-3.9 8252/1761=50...(10) Violated in 0 structures by 0.00 A. Peak 727 from nnoeabs.peaks (1.93, 8.00, 120.61 ppm; 4.01 A increased from 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 115 + H ILE 116 OK 99 100 100 99 2.4-4.0 4.4=73, 3.0/729=61...(12) HB3 LYS 115 + H ILE 116 OK 97 98 100 99 2.5-4.1 4.4=73, 3.0/729=61...(11) HB2 LEU 81 - H ILE 116 far 0 94 0 - 7.7-8.0 HB3 LYS 17 - H ILE 116 far 0 98 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 728 from nnoeabs.peaks (1.93, 8.00, 120.61 ppm; 4.01 A increased from 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 115 + H ILE 116 OK 99 100 100 99 2.5-4.1 4.4=73, 3.0/729=61...(11) HB2 LYS 115 + H ILE 116 OK 98 98 100 99 2.4-4.0 4.4=73, 3.0/729=61...(11) HB2 LEU 81 - H ILE 116 far 0 77 0 - 7.7-8.0 HB3 LYS 17 - H ILE 116 far 0 87 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 729 from nnoeabs.peaks (1.56, 8.00, 120.61 ppm; 3.92 A increased from 3.30 A): 1 out of 1 assignment used, quality = 0.99: * HG2 LYS 115 + H ILE 116 OK 99 100 100 99 2.9-3.9 7890=54, 6703/3.6=54...(11) Violated in 2 structures by 0.00 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 2.3-4.6 1.8/729=99, 7891=83...(9) 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 = 0.96: * H ILE 116 + H VAL 117 OK 96 100 100 96 2.4-2.9 1959=78, 1761/737=45...(9) H ILE 116 - H ALA 113 far 0 97 0 - 4.7-5.0 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 3.5-3.6 3.6=100 HA ILE 116 - H ALA 113 far 0 97 0 - 7.1-7.5 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 3 assignments used, quality = 0.99: * HB ILE 116 + H VAL 117 OK 99 100 100 99 2.4-3.0 1761/735=53, 2.1/738=51...(12) HB ILE 116 - H ALA 113 far 0 97 0 - 5.3-5.9 HB ILE 5 - H VAL 117 far 0 73 0 - 8.3-9.0 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 3.5-3.9 2.1/737=83, 4.3=73...(13) QG2 ILE 116 - H ALA 113 far 0 97 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 739 from nnoeabs.peaks (1.58, 8.12, 120.23 ppm; 5.33 A increased from 4.26 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 116 + H VAL 117 OK 100 100 100 100 3.9-5.2 6812/737=99, 1763/735=91...(10) HG12 ILE 116 + H ALA 113 OK 87 97 90 100 4.0-5.6 ~10475=53, ~8252=50...(15) HG LEU 55 - H VAL 117 far 0 65 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 740 from nnoeabs.peaks (0.97, 8.12, 120.23 ppm; 5.27 A increased from 4.96 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 116 + H VAL 117 OK 100 100 100 100 4.0-5.2 2.9/737=96, 1764/735=90...(8) HG13 ILE 116 + H ALA 113 OK 77 97 80 99 4.1-5.7 10413/3.0=56, ~10475=52...(12) Violated in 0 structures by 0.00 A. Peak 741 from nnoeabs.peaks (0.68, 8.12, 120.23 ppm; 3.60 A): 0 out of 5 assignments used, quality = 0.00: QD2 LEU 114 - H ALA 113 far 0 87 0 - 4.0-4.6 ! QD1 ILE 116 - H VAL 117 far 0 100 0 - 4.3-4.7 QD1 ILE 116 - H ALA 113 far 0 97 0 - 4.9-5.9 QD2 LEU 114 - H VAL 117 far 0 92 0 - 5.2-5.6 QD1 LEU 55 - H VAL 117 far 0 99 0 - 6.8-7.4 Violated in 20 structures by 0.19 A. Peak 742 from nnoeabs.peaks (8.12, 8.03, 118.42 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + H ARG 118 OK 100 100 100 100 2.4-2.8 1960=100, 1768/744=57...(9) H ALA 113 - H ARG 118 far 0 100 0 - 8.2-8.5 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 3.5-3.6 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): 1 out of 3 assignments used, quality = 0.98: * HB VAL 117 + H ARG 118 OK 98 100 100 98 2.4-3.0 7903=58, 1768/1960=58...(8) HB3 MET 67 - H LYS 65 far 0 67 0 - 5.3-5.8 HB2 GLU 66 - H LYS 65 far 0 62 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 745 from nnoeabs.peaks (0.86, 8.03, 118.42 ppm; 3.90 A increased from 3.28 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 117 + H ARG 118 OK 100 100 100 100 3.7-3.9 2.1/744=82, 7904=77...(9) QG2 VAL 22 - H ARG 118 far 0 90 0 - 7.3-8.3 QD1 LEU 14 - H ARG 118 far 0 98 0 - 7.5-8.3 QG2 VAL 107 - H ARG 118 far 0 100 0 - 7.6-8.5 QG1 VAL 32 - H LYS 65 far 0 67 0 - 8.0-8.5 QG2 VAL 104 - H LYS 65 far 0 34 0 - 8.2-8.8 HG13 ILE 5 - H ARG 118 far 0 61 0 - 9.2-9.9 QG2 THR 9 - H ARG 118 far 0 100 0 - 9.9-10.5 Violated in 3 structures by 0.00 A. Peak 746 from nnoeabs.peaks (0.72, 8.03, 118.42 ppm; 3.72 A increased from 3.50 A): 1 out of 9 assignments used, quality = 0.95: * QG1 VAL 117 + H ARG 118 OK 95 100 95 100 3.3-3.8 7905=86, 2.1/744=77...(9) QD1 LEU 6 - H LYS 65 far 0 64 0 - 5.1-5.4 QD2 LEU 81 - H ARG 118 far 0 77 0 - 5.2-5.4 QG2 ILE 18 - H ARG 118 far 0 100 0 - 5.3-6.5 HG13 ILE 18 - H ARG 118 far 0 96 0 - 5.8-6.8 QD2 LEU 6 - H LYS 65 far 0 48 0 - 5.9-6.2 QD2 LEU 63 - H LYS 65 far 0 52 0 - 5.9-6.3 QD2 LEU 55 - H ARG 118 far 0 77 0 - 8.3-9.1 QD1 ILE 57 - H ARG 118 far 0 81 0 - 9.6-10.5 Violated in 2 structures by 0.01 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 2.5-2.8 1961=76, 1774/750=39...(11) H VAL 22 - H GLU 119 far 0 90 0 - 9.6-11.2 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 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 749 from nnoeabs.peaks (1.80, 7.92, 122.42 ppm; 4.22 A increased from 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 118 + H GLU 119 OK 100 100 100 100 3.3-4.3 4.2=100 HG2 ARG 105 - H GLU 119 far 0 98 0 - 7.3-8.1 HG12 ILE 5 - H GLU 119 far 0 96 0 - 7.6-8.5 HB3 ARG 105 - H GLU 119 far 0 70 0 - 8.3-9.0 Violated in 3 structures by 0.01 A. Peak 750 from nnoeabs.peaks (1.87, 7.92, 122.42 ppm; 3.99 A increased from 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 118 + H GLU 119 OK 100 100 100 100 2.5-3.9 4.2=85, 1.8/749=70...(6) HB2 ARG 105 - H GLU 119 far 0 81 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 751 from nnoeabs.peaks (1.73, 7.92, 122.42 ppm; 4.69 A increased from 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 118 + H GLU 119 OK 100 100 100 100 2.2-4.7 1775/747=81, 3.0/750=77...(9) HD3 LYS 123 - H GLU 119 far 0 61 0 - 5.7-8.3 HB2 LEU 114 - H GLU 119 far 0 98 0 - 7.8-8.5 Violated in 0 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 3.2-5.3 1.8/751=94, 3.0/750=91...(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, 1783/759=41...(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 3.6-3.6 3.6=100 HA PHE 120 + H PHE 120 OK 99 99 100 100 2.8-2.8 3.0=100 HA LYS 123 - H PHE 120 far 0 100 0 - 7.3-7.6 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 4 assignments used, quality = 0.98: * HB2 GLU 119 + H PHE 120 OK 89 100 95 93 2.3-3.8 1781/1962=55...(7) HB3 GLU 119 + H PHE 120 OK 79 100 85 93 3.2-3.6 4.6=42, 4.0/1962=40...(7) HB2 GLU 21 - H PHE 120 far 0 100 0 - 8.8-10.1 HB VAL 107 - H PHE 120 far 0 100 0 - 9.9-10.6 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 4 assignments used, quality = 0.98: HB2 GLU 119 + H PHE 120 OK 89 100 95 93 2.3-3.8 1782/1962=55...(7) * HB3 GLU 119 + H PHE 120 OK 79 100 85 93 3.2-3.6 4.6=42, 4.0/1962=40...(7) HB2 GLU 21 - H PHE 120 far 0 100 0 - 8.8-10.1 HB VAL 107 - H PHE 120 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 759 from nnoeabs.peaks (2.08, 8.83, 119.60 ppm; 4.40 A increased from 3.91 A): 1 out of 4 assignments used, quality = 0.95: * HG2 GLU 119 + H PHE 120 OK 95 100 95 100 1.9-4.6 1783/1962=75...(9) HB3 MET 121 - H PHE 120 far 0 100 0 - 4.7-4.9 HB3 PHE 79 - H PHE 120 far 0 100 0 - 5.8-6.6 HB2 GLU 103 - H PHE 120 far 0 90 0 - 7.6-9.7 Violated in 1 structures by 0.01 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 2.4-4.9 1.8/759=100...(7) 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...(11) 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 4 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 56 99 60 95 4.2-4.9 3.6/761=68, 8289/1964=66...(4) HA LYS 123 - H MET 121 far 0 100 0 - 6.7-7.2 HB2 SER 126 - H MET 121 far 0 100 0 - 9.7-11.1 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 2.3-2.8 1.8/764=77, 4.6=72...(6) 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 = 0.99: * HB3 PHE 120 + H MET 121 OK 99 100 100 99 3.4-3.8 1.8/763=75, 4.6=69...(6) 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 4.1-4.5 4.6=100 QD TYR 27 - H MET 121 far 0 100 0 - 6.6-7.3 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 2.6-2.8 1964=100, 1795/771=49...(8) 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; 3.66 A increased from 3.25 A): 1 out of 1 assignment used, quality = 0.93: * HB2 MET 121 + H GLN 122 OK 93 100 100 93 3.2-3.7 1.8/772=60, 4.6=49...(5) Violated in 2 structures by 0.00 A. Peak 772 from nnoeabs.peaks (2.08, 8.05, 120.56 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.99: * HB3 MET 121 + H GLN 122 OK 99 100 100 99 2.5-3.0 1.8/771=88, 4.6=73...(5) HG2 GLU 119 - H GLN 122 far 0 100 0 - 5.5-6.6 HB3 PHE 79 - H GLN 122 far 0 100 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 773 from nnoeabs.peaks (1.92, 8.05, 120.56 ppm; 5.04 A increased from 4.74 A): 2 out of 7 assignments used, quality = 0.98: * HG2 MET 121 + H GLN 122 OK 85 100 85 100 4.9-5.3 3.0/771=89, 3.0/772=82...(6) HB3 LYS 123 + H GLN 122 OK 85 100 90 94 4.5-6.1 1811/1965=84...(3) HB2 LYS 123 - H GLN 122 far 7 70 10 - 4.5-6.3 HB2 LEU 127 - H GLN 122 far 0 73 0 - 9.3-10.4 HB3 LYS 115 - H GLN 122 far 0 70 0 - 9.3-11.1 HB2 GLU 128 - H GLN 122 far 0 73 0 - 9.5-10.9 HB2 LYS 115 - H GLN 122 far 0 90 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 775 from nnoeabs.peaks (1.83, 8.05, 120.56 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: * QE MET 121 + H GLN 122 OK 100 100 100 100 3.9-5.1 7022/771=83, 7023/772=80...(6) HD2 LYS 123 + H GLN 122 OK 26 84 45 69 5.0-6.8 1814/1965=51...(3) Violated in 0 structures by 0.00 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 2.5-2.9 1965=100, 1964/2235=37...(10) 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 3.5-3.6 3.6=100 HA ALA 124 - H LYS 123 far 0 94 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 778 from nnoeabs.peaks (2.24, 8.40, 121.61 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.87: * HB2 GLN 122 + H LYS 123 OK 87 100 90 96 2.2-3.8 7931=61, 7054/7933=50...(10) HB3 GLN 122 - H LYS 123 poor 19 100 20 96 3.2-4.3 1.8/7931=49, 4.7=49...(10) HG2 GLU 103 - H LYS 123 far 0 77 0 - 8.3-11.0 Violated in 2 structures by 0.01 A. Peak 779 from nnoeabs.peaks (2.24, 8.40, 121.61 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.87: HB2 GLN 122 + H LYS 123 OK 87 100 90 96 2.2-3.8 7931=61, 7054/7933=50...(10) ! HB3 GLN 122 - H LYS 123 poor 19 100 20 96 3.2-4.3 1.8/7931=49, 4.7=49...(10) HG2 GLU 103 - H LYS 123 far 0 77 0 - 8.3-11.0 Violated in 2 structures by 0.01 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 2.3-4.4 7933=100, 7031/3.6=77...(9) 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 3.7-5.0 7934=100, 1.8/7933=100...(10) HG3 GLN 25 - H LYS 123 far 0 100 0 - 7.5-10.6 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 2.4-2.8 1966=87, 1811/787=45...(10) Violated in 0 structures by 0.00 A. Peak 785 from nnoeabs.peaks (4.03, 8.60, 121.87 ppm; 4.57 A): 2 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 92 100 100 92 3.8-4.4 8299/787=60, 8297/786=54...(4) HB2 SER 126 - H ALA 124 far 0 100 0 - 5.4-6.4 HB3 SER 126 - H ALA 124 far 0 99 0 - 6.3-7.7 HA GLU 119 - H ALA 124 far 0 100 0 - 6.4-7.3 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 = 0.98: * HB2 LYS 123 + H ALA 124 OK 98 100 100 98 2.6-3.5 7069/3.6=61, 4.4=57...(11) HB2 LEU 127 - H ALA 124 far 0 100 0 - 5.3-6.5 HG2 MET 121 - H ALA 124 far 0 70 0 - 5.7-7.0 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 = 0.93: * HB3 LYS 123 + H ALA 124 OK 93 100 100 93 2.5-3.4 4.4=60, 1811/784=52...(9) HB2 LEU 127 - H ALA 124 far 0 61 0 - 5.3-6.5 HG2 MET 121 - H ALA 124 far 0 100 0 - 5.7-7.0 HB2 GLU 128 - H ALA 124 far 0 84 0 - 6.9-7.9 Violated in 0 structures by 0.00 A. Peak 788 from nnoeabs.peaks (1.57, 8.60, 121.87 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 123 + H ALA 124 OK 100 100 100 100 4.5-5.1 4.7=100 HG12 ILE 3 - H ALA 124 far 12 81 15 - 5.9-7.9 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 4.5-5.2 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 2.6-2.7 1967=100, 8307/8308=29...(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 2 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 73 94 100 78 3.4-3.8 8308=55, 8307/1967=33 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 2.7-3.0 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 = 1.00: * H GLY 125 + H SER 126 OK 100 100 100 100 2.5-2.9 1968=95, 3.0/798=72...(6) Violated in 0 structures by 0.00 A. Peak 798 from nnoeabs.peaks (4.05, 7.86, 116.08 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.78: HA3 GLY 125 + H SER 126 OK 78 90 100 87 2.8-3.1 3.6=70, 3.0/797=38...(7) ! HA2 GLY 125 - H SER 126 far 0 100 0 - 3.4-3.5 Violated in 0 structures by 0.00 A. Peak 799 from nnoeabs.peaks (4.06, 7.86, 116.08 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.87: * HA3 GLY 125 + H SER 126 OK 87 100 100 87 2.8-3.1 3.6=70, 3.0/797=38...(6) HA2 GLY 125 - H SER 126 far 0 90 0 - 3.4-3.5 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, 1826/7949=22...(5) Violated in 1 structures by 0.00 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 3.4-3.5 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): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 126 + H LEU 127 OK 100 100 100 100 2.8-3.6 7949=100, 1826/800=62...(7) HB3 SER 126 - H LEU 127 far 15 97 15 - 3.7-4.1 HA LYS 123 - H LEU 127 far 0 100 0 - 5.0-5.8 HA PHE 120 - H LEU 127 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 803 from nnoeabs.peaks (4.03, 7.88, 122.37 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.97: HB2 SER 126 + H LEU 127 OK 97 97 100 100 2.8-3.6 7950=100, 1827/800=61...(7) ! HB3 SER 126 - H LEU 127 far 15 100 15 - 3.7-4.1 HA LYS 123 - H LEU 127 far 0 99 0 - 5.0-5.8 HA PHE 120 - H LEU 127 far 0 96 0 - 8.6-9.1 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 2.4-2.8 1970=95, 1830/806=58...(12) 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 3.4-3.6 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 4 assignments used, quality = 0.88: * HB2 LEU 127 + H GLU 128 OK 88 100 100 88 2.1-3.0 4.2=39, 1830/804=37...(7) HB3 LYS 123 - H GLU 128 far 0 61 0 - 7.4-8.8 HB2 LYS 123 - H GLU 128 far 0 100 0 - 7.6-8.4 HG2 MET 121 - H GLU 128 far 0 73 0 - 9.4-11.0 Violated in 2 structures by 0.00 A. Peak 807 from nnoeabs.peaks (1.61, 8.08, 119.78 ppm; 4.24 A increased from 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + H GLU 128 OK 100 100 100 100 3.5-4.2 4.2=100 HD3 LYS 77 - H GLU 128 far 0 92 0 - 7.8-9.9 HD2 LYS 77 - H GLU 128 far 0 90 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 808 from nnoeabs.peaks (1.86, 8.08, 119.78 ppm; 4.21 A increased from 3.74 A): 1 out of 3 assignments used, quality = 0.99: * HG LEU 127 + H GLU 128 OK 99 100 100 99 3.7-4.0 3.0/806=82, 1832/804=67...(7) HB3 LYS 77 - H GLU 128 far 0 70 0 - 6.7-7.9 HB2 LYS 77 - H GLU 128 far 0 77 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 809 from nnoeabs.peaks (0.93, 8.08, 119.78 ppm; 4.79 A increased from 4.25 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 127 + H GLU 128 OK 100 100 100 100 4.3-4.7 4.8=98, 3.1/806=91...(6) HG3 LYS 53 - H GLU 128 far 0 99 0 - 7.1-9.5 Violated in 0 structures by 0.00 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 4.0-4.7 4.8=93, 3.1/806=90...(6) Violated in 1 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 2.1-3.8 2532=86, 829/1.7=67...(5) 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 3 assignments used, quality = 1.00: * HB2 ASN 8 + HD21 ASN 8 OK 100 100 100 100 2.2-3.6 3.5=100 HB2 ASN 10 - HD21 ASN 8 far 0 77 0 - 5.2-9.1 HB2 ASN 33 - HD21 ASN 8 far 0 61 0 - 9.5-12.1 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 1 assignment used, quality = 1.00: * HB3 ASN 8 + HD21 ASN 8 OK 100 100 100 100 2.2-4.1 3.5=100 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 2.8-4.2 823/1.7=85, 4.5=85...(6) Violated in 0 structures by 0.00 A. Peak 830 from nnoeabs.peaks (2.89, 6.25, 107.51 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 8 + HD22 ASN 8 OK 100 100 100 100 2.6-4.1 3.5=100 HB2 ASN 10 - HD22 ASN 8 far 0 77 0 - 5.0-8.2 HB2 ASN 33 - HD22 ASN 8 far 0 61 0 - 9.7-11.5 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 3.5-4.1 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 = 0.95: * HA ASN 10 + HD21 ASN 10 OK 95 100 95 100 2.2-4.9 4.4=100 Violated in 1 structures by 0.01 A. Peak 836 from nnoeabs.peaks (2.91, 7.64, 111.46 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.95: * HB2 ASN 10 + HD21 ASN 10 OK 95 100 95 100 2.2-4.0 3.5=100 HB2 ASN 8 - HD21 ASN 10 far 0 77 0 - 5.8-11.1 Violated in 1 structures by 0.01 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 2.1-3.7 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 3.5-4.5 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 2.4-4.1 3.5=100 HB2 ASN 8 - HD22 ASN 10 far 0 77 0 - 5.7-11.2 Violated in 2 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 2.1-3.8 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 - 5.6-13.1 H LEU 64 - HD22 ASN 10 far 0 77 0 - 9.5-13.4 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 2 assignments used, quality = 1.00: * HA ASN 11 + HD21 ASN 11 OK 100 100 100 100 4.3-4.4 4.4=100 HA ASN 11 + HD22 ASN 11 OK 100 100 100 100 4.5-4.5 4.4=100 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 4.9-6.0 5.6=100 H ASN 11 + HD21 ASN 11 OK 100 100 100 100 4.1-5.0 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 3.5-3.6 3.5=100 HB2 ASN 11 + HD21 ASN 11 OK 100 100 100 100 2.2-2.6 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 3.6-3.8 3.5=100 HB3 ASN 11 + HD21 ASN 11 OK 100 100 100 100 2.5-2.9 3.5=100 HB3 ASP 109 - HD21 ASN 11 far 0 77 0 - 7.9-9.2 HB3 ASP 109 - HD22 ASN 11 far 0 77 0 - 8.6-10.4 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 3.1-4.6 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 = 0.95: * HB2 ASN 24 + HD21 ASN 24 OK 87 100 100 87 2.1-3.1 3.5=85, 11324/11539=13 HB3 ASN 24 + HD21 ASN 24 OK 64 100 75 85 2.1-3.5 3.5=85 HE2 LYS 20 - HD21 ASN 24 far 0 100 0 - 4.0-10.4 HE3 LYS 20 - HD21 ASN 24 far 0 100 0 - 4.5-9.7 HD3 ARG 118 - HD21 ASN 24 far 0 99 0 - 8.5-12.9 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 = 0.95: HB2 ASN 24 + HD21 ASN 24 OK 87 100 100 87 2.1-3.1 3.5=85, 11324/11539=13 * HB3 ASN 24 + HD21 ASN 24 OK 64 100 75 85 2.1-3.5 3.5=85 HE2 LYS 20 - HD21 ASN 24 far 0 100 0 - 4.0-10.4 HE3 LYS 20 - HD21 ASN 24 far 0 100 0 - 4.5-9.7 HD3 ARG 118 - HD21 ASN 24 far 0 99 0 - 8.5-12.9 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 3.8-4.9 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 = 0.93: * HB2 ASN 24 + HD22 ASN 24 OK 90 100 90 100 3.4-3.9 3.5=100 HB3 ASN 24 + HD22 ASN 24 OK 25 100 25 100 3.4-4.1 3.5=100 HE2 LYS 20 - HD22 ASN 24 far 5 100 5 - 3.7-10.0 HE3 LYS 20 - HD22 ASN 24 far 0 100 0 - 4.5-9.1 HD3 ARG 118 - HD22 ASN 24 far 0 99 0 - 9.4-14.3 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 = 0.93: HB2 ASN 24 + HD22 ASN 24 OK 90 100 90 100 3.4-3.9 3.5=100 * HB3 ASN 24 + HD22 ASN 24 OK 25 100 25 100 3.4-4.1 3.5=100 HE2 LYS 20 - HD22 ASN 24 far 5 100 5 - 3.7-10.0 HE3 LYS 20 - HD22 ASN 24 far 0 100 0 - 4.5-9.1 HD3 ARG 118 - HD22 ASN 24 far 0 99 0 - 9.4-14.3 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 2.4-3.8 1212=100, 876/1.7=83...(5) 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 1 assignment used, quality = 1.00: * HA ASN 33 + HD21 ASN 33 OK 100 100 100 100 3.0-4.1 4.5=100 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 2 assignments used, quality = 1.00: * HB2 ASN 33 + HD21 ASN 33 OK 100 100 100 100 2.1-3.6 3.5=100 HB2 ASP 34 - HD21 ASN 33 far 0 100 0 - 5.2-6.7 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 2.1-3.2 3.5=100 HE3 LYS 19 - HD21 ASN 33 far 0 92 0 - 7.5-11.4 HE2 LYS 19 - HD21 ASN 33 far 0 92 0 - 7.9-12.1 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 3.6-4.7 1212/1.7=87, 1211/3.5=80...(5) 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 3.7-5.0 4.5=100 HA ASN 10 - HD22 ASN 33 far 0 92 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 878 from nnoeabs.peaks (2.91, 7.02, 114.61 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.73: * HB2 ASN 33 + HD22 ASN 33 OK 50 100 50 100 3.4-4.1 3.5=100 HB3 ASN 88 + HD22 ASN 88 OK 46 46 100 100 3.4-3.9 3.5=100 HB2 ASP 34 - HD22 ASN 33 far 0 100 0 - 6.2-8.1 HB2 ASP 86 - HD22 ASN 88 far 0 27 0 - 6.9-8.3 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 = 0.95: * HB3 ASN 33 + HD22 ASN 33 OK 95 100 95 100 3.4-3.9 3.5=100 HE3 LYS 19 - HD22 ASN 33 far 0 92 0 - 7.1-10.3 HE2 LYS 19 - HD22 ASN 33 far 0 92 0 - 7.4-11.8 Violated in 1 structures by 0.01 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 - 7.7-8.4 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 2.0-4.5 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 - 8.5-14.8 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 - 8.5-14.8 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 3.4-5.3 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 = 0.99: * HB2 ASN 50 + HD22 ASN 50 OK 90 100 90 100 3.4-4.1 3.5=100 HB3 ASN 50 + HD22 ASN 50 OK 90 100 90 100 3.4-4.1 3.5=100 HE3 LYS 53 - HD22 ASN 50 far 0 90 0 - 8.6-15.1 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 = 0.99: * HB3 ASN 50 + HD22 ASN 50 OK 90 100 90 100 3.4-4.1 3.5=100 HB2 ASN 50 + HD22 ASN 50 OK 90 100 90 100 3.4-4.1 3.5=100 HE3 LYS 53 - HD22 ASN 50 far 0 92 0 - 8.6-15.1 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 - 6.0-13.9 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 2 assignments used, quality = 1.00: * HA ASN 59 + HD21 ASN 59 OK 100 100 100 100 2.1-4.6 4.5=100 HA ASN 11 - HD21 ASN 59 far 0 65 0 - 5.7-7.3 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 2.1-4.0 3.5=100 Violated in 2 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 2.1-3.5 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 3.6-5.4 4.5=100 HA ASN 11 - HD22 ASN 59 lone 1 65 60 2 4.5-8.0 HA ASP 34 - HD22 ASN 59 far 0 96 0 - 9.3-12.4 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 2.9-4.1 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 2.1-3.9 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 4.3-4.9 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 3.8-4.4 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 2.1-3.3 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 2.1-3.1 3.5=92, 1581/906=29 Violated in 0 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 5.5-5.8 5.7=100 H ILE 57 - HD22 ASN 33 far 0 33 0 - 6.8-8.9 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 4.2-4.5 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 1 assignment used, quality = 1.00: * HB2 ASN 88 + HD22 ASN 88 OK 100 100 100 100 3.4-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 915 from nnoeabs.peaks (2.90, 7.03, 114.32 ppm; 3.96 A increased from 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 88 + HD22 ASN 88 OK 100 100 100 100 3.4-3.9 3.5=100 HB2 ASN 33 + HD22 ASN 33 OK 23 46 50 100 3.4-4.1 3.5=100 HB2 ASP 34 - HD22 ASN 33 far 0 47 0 - 6.2-8.1 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 = 0.99: * HA GLN 25 + HE21 GLN 25 OK 99 100 100 99 1.8-2.9 5.9=98, 3.6/9210=74 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 2.4-3.5 3.5=100 HB3 TYR 27 - HE21 GLN 25 far 0 89 0 - 5.2-7.6 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 2.4-3.6 3.5=100 HG3 GLN 122 - HE21 GLN 25 far 0 100 0 - 7.7-11.4 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 3.0-4.5 5.9=100 Violated in 0 structures by 0.00 A. Peak 928 from nnoeabs.peaks (2.38, 6.88, 112.87 ppm; 4.21 A increased from 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 25 + HE22 GLN 25 OK 100 100 100 100 3.5-4.1 3.5=100 HB3 TYR 27 - HE22 GLN 25 far 0 89 0 - 6.1-8.8 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 3.6-4.1 3.5=100 HG3 GLN 122 - HE22 GLN 25 far 0 100 0 - 6.2-11.3 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 2.4-4.6 4.5=100 HG3 GLU 52 - HE21 GLN 28 far 10 65 15 - 3.8-9.4 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 2.1-3.5 3.5=100 HG2 GLU 48 - HE21 GLN 28 far 0 100 0 - 6.9-16.5 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 3.5-5.4 4.5=100 HG3 GLU 52 - HE22 GLN 28 lone 0 65 40 2 4.2-10.2 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 3.4-4.1 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 3.4-4.1 3.5=100 HG2 GLU 48 - HE22 GLN 28 far 0 100 0 - 8.1-15.9 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 2 assignments used, quality = 1.00: * HB2 GLN 62 + HE21 GLN 62 OK 100 100 100 100 2.1-4.5 4.4=100 HB3 GLN 62 + HE21 GLN 62 OK 100 100 100 100 3.5-4.6 4.4=100 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 2 assignments used, quality = 1.00: HB2 GLN 62 + HE21 GLN 62 OK 100 100 100 100 2.1-4.5 4.4=100 * HB3 GLN 62 + HE21 GLN 62 OK 100 100 100 100 3.5-4.6 4.4=100 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 2 assignments used, quality = 0.95: * HG2 GLN 62 + HE21 GLN 62 OK 90 100 100 90 2.1-3.2 3.5=83, 3.9/4675=23...(5) HG3 GLN 62 + HE21 GLN 62 OK 54 100 60 89 2.1-3.6 3.5=83, 3.9/4675=23...(4) 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 2 assignments used, quality = 0.95: HG2 GLN 62 + HE21 GLN 62 OK 90 100 100 90 2.1-3.2 3.5=83, 3.9/4675=23...(5) * HG3 GLN 62 + HE21 GLN 62 OK 54 100 60 89 2.1-3.6 3.5=83, 3.9/4675=23...(4) 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 3.8-5.9 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: * HB2 GLN 62 + HE22 GLN 62 OK 100 100 100 100 3.5-4.7 4.4=100 HB3 GLN 62 + HE22 GLN 62 OK 100 100 100 100 4.2-5.4 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: HB2 GLN 62 + HE22 GLN 62 OK 100 100 100 100 3.5-4.7 4.4=100 * HB3 GLN 62 + HE22 GLN 62 OK 100 100 100 100 4.2-5.4 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 = 0.94: * HG2 GLN 62 + HE22 GLN 62 OK 90 100 90 100 3.4-3.9 3.5=100 HG3 GLN 62 + HE22 GLN 62 OK 45 100 45 100 3.4-4.1 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 = 0.94: HG2 GLN 62 + HE22 GLN 62 OK 90 100 90 100 3.4-3.9 3.5=100 * HG3 GLN 62 + HE22 GLN 62 OK 45 100 45 100 3.4-4.1 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 1 assignment used, quality = 1.00: * HE21 GLN 62 + HE22 GLN 62 OK 100 100 100 100 1.7-1.7 1.7=100 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 4.7-4.9 5.9=100 HA GLN 83 + HE22 GLN 83 OK 100 100 100 100 5.6-6.0 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 4.1-4.3 4.4=100 HB2 GLN 83 + HE22 GLN 83 OK 100 100 100 100 4.3-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 967 from nnoeabs.peaks (1.42, 7.20, 110.45 ppm; 4.80 A increased from 4.52 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 4.6-4.6 4.4=100 QB ALA 113 + HE21 GLN 83 OK 74 92 90 89 4.4-5.2 11518/10016=35...(8) QB ALA 113 + HE22 GLN 83 OK 72 92 85 92 4.3-6.1 11518/10016=35...(9) HB3 GLN 83 - HE22 GLN 83 far 0 100 0 - 5.0-5.3 HG3 LYS 17 - HE22 GLN 83 far 0 94 0 - 9.9-12.5 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 2.3-2.4 3.5=100 HG2 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.5-3.6 3.5=100 HG2 GLU 112 - HE21 GLN 83 far 0 100 0 - 6.8-9.0 HG2 GLU 112 - HE22 GLN 83 far 0 100 0 - 7.6-10.5 HG3 GLU 112 - HE21 GLN 83 far 0 100 0 - 7.7-10.1 HG3 GLU 112 - HE22 GLN 83 far 0 100 0 - 8.8-11.7 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 2.7-2.9 3.5=100 HG3 GLN 83 + HE22 GLN 83 OK 100 100 100 100 3.7-3.8 3.5=100 HB VAL 107 - HE21 GLN 83 far 0 100 0 - 6.9-7.5 HB VAL 107 - HE22 GLN 83 far 0 100 0 - 8.0-8.9 HB2 GLU 111 - HE21 GLN 83 far 0 65 0 - 8.5-10.3 HB2 GLU 111 - HE22 GLN 83 far 0 65 0 - 8.8-11.3 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 4.3-4.5 4.4=100 HB2 GLN 83 + HE21 GLN 83 OK 100 100 100 100 4.1-4.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 975 from nnoeabs.peaks (1.42, 7.20, 110.45 ppm; 4.80 A increased from 4.52 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 4.6-4.6 4.4=100 QB ALA 113 + HE21 GLN 83 OK 74 92 90 89 4.4-5.2 11518/10016=35...(8) QB ALA 113 + HE22 GLN 83 OK 72 92 85 92 4.3-6.1 11518/10016=35...(9) ! HB3 GLN 83 - HE22 GLN 83 far 0 100 0 - 5.0-5.3 HG3 LYS 17 - HE22 GLN 83 far 0 94 0 - 9.9-12.5 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 3.5-3.6 3.5=100 HG2 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.3-2.4 3.5=100 HG2 GLU 112 - HE21 GLN 83 far 0 100 0 - 6.8-9.0 HG2 GLU 112 - HE22 GLN 83 far 0 100 0 - 7.6-10.5 HG3 GLU 112 - HE21 GLN 83 far 0 100 0 - 7.7-10.1 HG3 GLU 112 - HE22 GLN 83 far 0 100 0 - 8.8-11.7 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 3.7-3.8 3.5=100 HG3 GLN 83 + HE21 GLN 83 OK 100 100 100 100 2.7-2.9 3.5=100 HB VAL 107 - HE21 GLN 83 far 0 100 0 - 6.9-7.5 HB VAL 107 - HE22 GLN 83 far 0 100 0 - 8.0-8.9 HB2 GLU 111 - HE21 GLN 83 far 0 65 0 - 8.5-10.3 HB2 GLU 111 - HE22 GLN 83 far 0 65 0 - 8.8-11.3 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 2.2-4.5 4.4=100 HB3 GLU 13 - HE21 GLN 85 far 0 84 0 - 8.7-15.0 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 2.3-4.6 4.4=100 HB3 GLU 89 - HE21 GLN 85 far 0 100 0 - 8.2-13.5 HB2 GLU 89 - HE21 GLN 85 far 0 100 0 - 8.7-13.8 HB3 GLU 87 - HE21 GLN 85 far 0 100 0 - 9.7-12.6 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 = 0.95: HG3 GLN 85 + HE21 GLN 85 OK 85 100 95 90 2.1-3.5 3.5=83, 3.0/6261=11...(11) * HG2 GLN 85 + HE21 GLN 85 OK 67 100 75 90 2.4-3.6 3.5=83, 3.0/6261=11...(11) HB2 ASP 110 - HE21 GLN 85 far 0 94 0 - 7.4-14.8 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 = 0.95: * HG3 GLN 85 + HE21 GLN 85 OK 85 100 95 90 2.1-3.5 3.5=83, 3.0/6261=11...(11) HG2 GLN 85 + HE21 GLN 85 OK 67 100 75 90 2.4-3.6 3.5=83, 3.0/6261=11...(11) HB2 ASP 110 - HE21 GLN 85 far 0 90 0 - 7.4-14.8 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 = 0.99: HG3 GLN 85 + HE22 GLN 85 OK 95 100 95 100 3.4-4.1 3.5=100 * HG2 GLN 85 + HE22 GLN 85 OK 75 100 75 100 3.5-4.1 3.5=100 HB2 ASP 110 - HE22 GLN 85 far 0 94 0 - 7.7-14.3 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 = 0.99: * HG3 GLN 85 + HE22 GLN 85 OK 95 100 95 100 3.4-4.1 3.5=100 HG2 GLN 85 + HE22 GLN 85 OK 75 100 75 100 3.5-4.1 3.5=100 HB2 ASP 110 - HE22 GLN 85 far 0 90 0 - 7.7-14.3 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 - 7.1-12.4 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 3.0-5.4 4.6=100 HB2 GLU 69 - HE21 GLN 100 far 9 94 10 - 5.3-8.0 HB2 MET 67 - HE21 GLN 100 far 0 97 0 - 9.6-12.8 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 2.1-3.7 3.5=100 HG3 GLU 69 - HE21 GLN 100 lone 3 99 55 4 2.7-7.6 1008/1.7=4 HG3 GLU 98 - HE21 GLN 100 far 0 99 0 - 9.0-12.3 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 2.1-4.1 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): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 100 + HE22 GLN 100 OK 100 100 100 100 2.4-4.1 3.5=100 HG3 GLU 69 - HE22 GLN 100 lone 5 99 85 6 2.3-6.4 11489/10825=3, 1000/1.7=2 HG3 GLU 98 - HE22 GLN 100 far 0 99 0 - 9.2-12.3 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 2.4-4.0 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 3 assignments used, quality = 1.00: * HB3 GLN 122 + HE21 GLN 122 OK 100 100 100 100 2.1-4.5 4.4=100 HB2 GLN 122 + HE21 GLN 122 OK 100 100 100 100 2.9-4.5 4.4=100 HG2 GLU 103 - HE21 GLN 122 far 0 77 0 - 9.1-16.7 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 2.1-3.5 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 2.1-3.5 3.5=100 HG3 GLN 25 - HE21 GLN 122 far 0 100 0 - 7.1-12.8 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 3.4-4.1 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 3.4-4.1 3.5=100 HG3 GLN 25 - HE22 GLN 122 far 0 100 0 - 6.8-12.9 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): 2 out of 4 assignments used, quality = 0.98: * HB2 LEU 4 + H LEU 4 OK 95 100 100 95 3.0-3.1 3.8=64, 3.1/1034=41...(10) HG LEU 4 + H LEU 4 OK 68 81 100 84 2.4-2.6 2.1/1034=51, 2.1/2388=41...(6) HB3 LEU 4 - H LEU 4 far 0 100 0 - 3.8-3.9 HG12 ILE 56 - H LEU 4 far 0 92 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 1031 from nnoeabs.peaks (1.44, 9.08, 127.78 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.98: HB2 LEU 4 + H LEU 4 OK 95 100 100 95 3.0-3.1 3.8=64, 3.1/1034=41...(10) HG LEU 4 + H LEU 4 OK 68 81 100 84 2.4-2.6 2.1/1034=51, 2.1/2388=41...(6) ! HB3 LEU 4 - H LEU 4 far 0 100 0 - 3.8-3.9 HG12 ILE 56 - H LEU 4 far 0 92 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 1032 from nnoeabs.peaks (1.45, 9.08, 127.78 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.96: * HG LEU 4 + H LEU 4 OK 85 100 100 85 2.4-2.6 2.1/1034=51, 2.1/2388=41...(6) HB2 LEU 4 + H LEU 4 OK 76 81 100 94 3.0-3.1 3.8=64, 3.1/1034=41...(10) HB3 LEU 4 - H LEU 4 far 0 81 0 - 3.8-3.9 HB3 LEU 6 - H LEU 4 far 0 97 0 - 8.0-8.6 HB2 LEU 74 - H LEU 4 far 0 77 0 - 8.3-9.0 HG2 LYS 49 - H LEU 4 far 0 97 0 - 9.6-17.9 Violated in 0 structures by 0.00 A. Peak 1033 from nnoeabs.peaks (0.64, 9.08, 127.78 ppm; 4.09 A increased from 3.85 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 4 + H LEU 4 OK 100 100 100 100 3.8-4.0 2388=83, 2.1/1034=76...(7) QD1 ILE 5 + H LEU 4 OK 42 65 85 76 3.9-4.5 9009/4=49, 13/4.6=41...(4) QD1 ILE 71 - H LEU 4 far 0 87 0 - 5.3-6.0 QD1 ILE 56 - H LEU 4 far 0 61 0 - 7.4-8.0 QD1 ILE 54 - H LEU 4 far 0 97 0 - 7.7-8.1 QG1 VAL 22 - H LEU 4 far 0 99 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 1034 from nnoeabs.peaks (0.68, 9.08, 127.78 ppm; 3.89 A): 1 out of 4 assignments used, quality = 0.98: * QD2 LEU 4 + H LEU 4 OK 98 100 100 98 3.2-3.7 4.4=71, 2.1/2388=60...(6) QD1 LEU 55 - H LEU 4 far 0 98 0 - 7.2-8.0 QD1 ILE 56 - H LEU 4 far 0 70 0 - 7.4-8.0 QG2 ILE 56 - H LEU 4 far 0 73 0 - 8.2-9.0 Violated in 0 structures by 0.00 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): 2 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 54 + H ILE 5 OK 27 84 100 32 5.7-6.0 4375/7313=15...(3) HA ILE 3 - H ILE 5 poor 19 97 20 - 5.9-6.4 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 2 assignments used, quality = 1.00: * HB ILE 5 + H ILE 5 OK 100 100 100 100 2.5-2.7 3.9=100 HB2 ARG 30 - H ILE 5 far 0 96 0 - 8.4-9.9 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 5 assignments used, quality = 1.00: * QG2 ILE 5 + H ILE 5 OK 100 100 100 100 3.8-3.9 4.0=100 HG13 ILE 5 + H ILE 5 OK 99 99 100 100 2.5-3.0 4.6=100 QG2 VAL 22 - H ILE 5 far 0 84 0 - 6.7-7.4 HG13 ILE 57 - H ILE 5 far 0 65 0 - 7.2-8.1 QG2 ILE 57 - H ILE 5 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1039 from nnoeabs.peaks (1.81, 8.77, 123.01 ppm; 5.43 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 5 + H ILE 5 OK 100 100 100 100 3.8-4.2 4.6=100 HB ILE 3 - H ILE 5 far 0 100 0 - 6.0-6.7 HB ILE 57 - H ILE 5 far 0 73 0 - 9.0-9.9 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 6 assignments used, quality = 1.00: * HG13 ILE 5 + H ILE 5 OK 100 100 100 100 2.5-3.0 4.6=100 QG2 ILE 5 + H ILE 5 OK 99 99 100 100 3.8-3.9 4.0=100 QG2 VAL 22 - H ILE 5 far 0 96 0 - 6.7-7.4 QG2 VAL 117 - H ILE 5 far 0 61 0 - 7.2-7.7 HG13 ILE 57 - H ILE 5 far 0 84 0 - 7.2-8.1 QG2 ILE 57 - H ILE 5 far 0 98 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1041 from nnoeabs.peaks (0.62, 8.77, 123.01 ppm; 4.53 A): 2 out of 6 assignments used, quality = 0.99: * QD1 ILE 5 + H ILE 5 OK 96 100 100 96 3.3-4.0 5.0=73, 2438/3.0=46...(7) QG1 VAL 78 + H ILE 5 OK 71 94 85 88 3.8-4.7 11529/4.4=50...(7) QD1 LEU 4 - H ILE 5 far 0 65 0 - 4.7-5.2 QG1 VAL 22 - H ILE 5 far 0 81 0 - 6.0-6.9 QD1 ILE 54 - H ILE 5 far 0 90 0 - 6.7-7.1 QD1 ILE 18 - H ILE 5 far 0 90 0 - 8.6-9.2 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): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 6 + H LEU 6 OK 100 100 100 100 2.5-2.7 3.9=75, 1.8/1045=72...(12) HG LEU 6 - H LEU 6 far 0 87 0 - 4.7-4.8 QB ALA 124 - H LEU 6 far 0 99 0 - 7.4-8.0 HB3 ARG 30 - H LEU 6 far 0 98 0 - 9.9-10.6 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 = 1.00: * HB3 LEU 6 + H LEU 6 OK 100 100 100 100 2.7-2.9 3.9=77, 1.8/1046=73...(16) HG12 ILE 7 - H LEU 6 far 0 100 0 - 5.3-5.6 HG LEU 80 - H LEU 6 far 0 70 0 - 6.7-7.0 HG LEU 4 - H LEU 6 far 0 97 0 - 7.4-7.6 HG12 ILE 57 - H LEU 6 far 0 100 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 1046 from nnoeabs.peaks (1.52, 9.23, 129.32 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.86: HB2 LEU 6 + H LEU 6 OK 86 87 100 100 2.5-2.7 3.9=75, 1.8/1045=72...(12) ! HG LEU 6 - H LEU 6 far 0 100 0 - 4.7-4.8 QB ALA 124 - H LEU 6 far 0 73 0 - 7.4-8.0 HB3 ARG 30 - H LEU 6 far 0 98 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 1047 from nnoeabs.peaks (0.73, 9.23, 129.32 ppm; 4.10 A increased from 3.64 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 6 + H LEU 6 OK 100 100 100 100 3.8-4.1 2449/3.0=69, 3.1/1046=68...(9) QG2 VAL 78 - H LEU 6 far 0 92 0 - 4.3-4.9 QD2 LEU 55 - H LEU 6 far 0 100 0 - 5.4-5.9 QG1 VAL 117 - H LEU 6 far 0 81 0 - 6.1-6.6 QG2 ILE 7 - H LEU 6 far 0 94 0 - 6.1-6.2 QG2 ILE 18 - H LEU 6 far 0 70 0 - 7.5-8.0 QG2 ILE 54 - H LEU 6 far 0 90 0 - 8.1-8.7 QD1 LEU 45 - H LEU 6 far 0 61 0 - 8.6-9.1 QD2 LEU 45 - H LEU 6 far 0 92 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 1048 from nnoeabs.peaks (0.71, 9.23, 129.32 ppm; 4.32 A increased from 3.64 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 6 + H LEU 6 OK 100 100 100 100 4.2-4.3 2482/1045=79...(10) QG2 VAL 78 - H LEU 6 far 9 92 10 - 4.3-4.9 QG1 VAL 117 - H LEU 6 far 0 98 0 - 6.1-6.6 QD2 LEU 81 - H LEU 6 far 0 94 0 - 6.2-6.5 QG2 ILE 18 - H LEU 6 far 0 100 0 - 7.5-8.0 QD1 ILE 57 - H LEU 6 far 0 96 0 - 8.0-8.7 QD2 LEU 45 - H LEU 6 far 0 92 0 - 9.7-10.6 Violated in 0 structures by 0.00 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 - 8.6-9.0 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 2 assignments used, quality = 0.99: * HB ILE 7 + H ILE 7 OK 99 100 100 99 2.7-2.8 3.9=90, 3.2/1055=53...(8) QE MET 67 - H ILE 7 far 0 87 0 - 5.6-6.7 Violated in 0 structures by 0.00 A. Peak 1052 from nnoeabs.peaks (0.74, 8.93, 120.75 ppm; 3.43 A): 1 out of 10 assignments used, quality = 0.90: QD2 LEU 6 + H ILE 7 OK 90 94 100 95 2.6-3.3 2449/23=45, 2.1/7326=40...(9) QD2 LEU 55 - H ILE 7 far 0 96 0 - 3.8-4.3 ! QG2 ILE 7 - H ILE 7 far 0 100 0 - 3.8-3.9 QG2 VAL 78 - H ILE 7 far 0 61 0 - 7.0-7.7 QG2 VAL 32 - H ILE 7 far 0 61 0 - 7.6-8.4 QG2 ILE 54 - H ILE 7 far 0 100 0 - 8.2-8.6 QG1 VAL 107 - H ILE 7 far 0 61 0 - 8.2-8.6 QD1 LEU 63 - H ILE 7 far 0 100 0 - 8.5-9.1 HG13 ILE 18 - H ILE 7 far 0 77 0 - 8.9-9.5 QD1 LEU 45 - H ILE 7 far 0 92 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 1053 from nnoeabs.peaks (1.46, 8.93, 120.75 ppm; 4.20 A increased from 3.73 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 6 + H ILE 7 OK 100 100 100 100 4.1-4.2 3.0/23=80, 2482/28=80...(7) ! HG12 ILE 7 - H ILE 7 far 10 100 10 - 4.3-4.5 HG12 ILE 57 - H ILE 7 far 0 100 0 - 4.8-5.7 HG LEU 80 - H ILE 7 far 0 65 0 - 7.1-7.7 Violated in 0 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 2.9-3.2 2.1/1055=83, 2514=78...(6) Violated in 0 structures by 0.00 A. Peak 1055 from nnoeabs.peaks (0.77, 8.93, 120.75 ppm; 3.86 A increased from 3.43 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 7 + H ILE 7 OK 100 100 100 100 3.5-3.7 2.1/1054=58, 2522/3.0=56...(9) QD1 LEU 80 - H ILE 7 far 0 96 0 - 4.3-4.7 QD2 LEU 80 - H ILE 7 far 0 94 0 - 6.8-7.2 QD1 ILE 15 - H ILE 7 far 0 100 0 - 6.8-8.7 QD2 LEU 64 - H ILE 7 far 0 73 0 - 7.2-7.5 QG2 VAL 32 - H ILE 7 far 0 99 0 - 7.6-8.4 QD1 LEU 82 - H ILE 7 far 0 90 0 - 8.1-8.6 QG1 VAL 107 - H ILE 7 far 0 99 0 - 8.2-8.6 QD1 LEU 45 - H ILE 7 far 0 84 0 - 9.4-10.1 Violated in 0 structures by 0.00 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 2.3-2.9 4.0=88, 10751/9094=34...(6) HB2 ASN 10 - H ASN 8 far 0 77 0 - 8.6-10.3 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 2.6-3.4 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 3.5-3.6 4.0=100 HA PHE 93 - H LYS 65 far 0 41 0 - 9.4-9.6 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 10 assignments used, quality = 0.67: * QG2 THR 9 + H THR 9 OK 67 100 100 67 1.9-2.1 3.9=49, 4.0/1858=23, 9123/3.6=18 QG2 ILE 15 - H THR 9 far 0 73 0 - 5.6-6.2 HG13 ILE 57 - H THR 9 far 0 99 0 - 6.0-6.9 QD1 LEU 14 - H THR 9 far 0 99 0 - 6.9-7.3 QG2 VAL 117 - H THR 9 far 0 100 0 - 7.7-8.1 QG1 VAL 32 - H LYS 65 far 0 77 0 - 8.0-8.5 QG2 VAL 107 - H THR 9 far 0 99 0 - 8.7-9.1 QD2 LEU 90 - H THR 9 far 0 61 0 - 9.0-9.7 QG1 VAL 32 - H THR 9 far 0 99 0 - 9.5-10.2 QG2 VAL 22 - H THR 9 far 0 94 0 - 9.7-11.0 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 2 assignments used, quality = 1.00: * HB2 ASN 10 + H ASN 10 OK 100 100 100 100 2.2-3.6 4.0=100 HB2 ASN 8 - H ASN 10 far 0 77 0 - 6.2-7.1 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 2.3-3.7 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 - 6.2-6.8 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 = 0.95: * HB2 ASN 11 + H ASN 11 OK 95 100 100 95 2.3-2.9 1.8/1075=57, 4.1=53...(9) Violated in 0 structures by 0.00 A. Peak 1075 from nnoeabs.peaks (2.74, 8.37, 120.92 ppm; 3.77 A increased from 3.36 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ASN 11 + H ASN 11 OK 99 100 100 99 2.5-3.6 1.8/1074=86, 4.1=80...(8) Violated in 0 structures by 0.00 A. Peak 1076 from nnoeabs.peaks (7.33, 8.37, 120.92 ppm; 4.99 A increased from 4.69 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 11 + H ASN 11 OK 100 100 100 100 4.1-5.0 3.5/1074=87, 3.5/1075=80...(5) HD22 ASN 11 + H ASN 11 OK 60 100 60 99 4.9-6.0 3.5/1074=87, 3.5/1075=80...(4) Violated in 0 structures by 0.00 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 2.8-2.8 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): 1 out of 2 assignments used, quality = 0.72: * HB2 ASP 12 + H ASP 12 OK 72 100 100 72 2.2-2.9 4.0=40, 61/1861=34...(4) HB3 ASP 12 - H ASP 12 far 15 100 15 - 2.2-3.6 Violated in 0 structures by 0.00 A. Peak 1081 from nnoeabs.peaks (2.64, 8.59, 126.31 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.72: HB2 ASP 12 + H ASP 12 OK 72 100 100 72 2.2-2.9 4.0=40, 61/1861=34...(4) ! HB3 ASP 12 - H ASP 12 far 15 100 15 - 2.2-3.6 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 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1084 from nnoeabs.peaks (2.06, 8.29, 119.33 ppm; 3.60 A increased from 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=85...(12) Violated in 0 structures by 0.00 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 2.2-2.6 2618=73, 1.8/1084=56...(15) 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 3.0-3.8 2624=100, 1.8/1087=81...(14) 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 2.1-3.0 2630=71, 2633/1085=65...(12) Violated in 0 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 2.8-2.9 3.0=100 HA LYS 17 - H LEU 14 far 0 97 0 - 7.0-7.4 HA GLU 111 - H LEU 14 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 1090 from nnoeabs.peaks (1.82, 7.58, 121.68 ppm; 3.55 A increased from 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 14 + H LEU 14 OK 100 100 100 100 3.4-3.5 1.8/1091=78, 4.0=68...(12) HB ILE 18 - H LEU 14 far 0 100 0 - 6.5-7.0 HB3 LYS 19 - H LEU 14 far 0 90 0 - 8.5-8.9 HB ILE 57 - H LEU 14 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1091 from nnoeabs.peaks (1.50, 7.58, 121.68 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 14 + H LEU 14 OK 99 100 100 99 2.1-2.2 1.8/1090=65, 4.0=57...(11) HD3 LYS 17 - H LEU 14 far 0 61 0 - 4.7-5.4 HG2 LYS 20 - H LEU 14 far 0 96 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1092 from nnoeabs.peaks (1.38, 7.58, 121.68 ppm; 4.23 A increased from 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 14 + H LEU 14 OK 100 100 100 100 4.1-4.2 2.1/1094=83, 2.1/1093=78...(7) HG3 LYS 16 - H LEU 14 far 0 65 0 - 4.5-5.2 HB3 LEU 114 - H LEU 14 far 0 61 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1093 from nnoeabs.peaks (0.86, 7.58, 121.68 ppm; 3.94 A increased from 3.71 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 14 + H LEU 14 OK 100 100 100 100 3.6-3.8 2664=91, 2.1/1094=76...(12) QG2 THR 9 - H LEU 14 far 0 99 0 - 4.1-4.5 QG2 ILE 15 - H LEU 14 far 0 87 0 - 5.8-6.0 QG2 ILE 57 - H LEU 14 far 0 61 0 - 6.5-7.0 QG2 VAL 107 - H LEU 14 far 0 94 0 - 8.0-8.5 QG2 VAL 117 - H LEU 14 far 0 98 0 - 8.2-8.9 HG13 ILE 57 - H LEU 14 far 0 100 0 - 9.0-10.0 QG2 VAL 22 - H LEU 14 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1094 from nnoeabs.peaks (0.76, 7.58, 121.68 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 14 + H LEU 14 OK 100 100 100 100 1.9-2.4 2.1/1093=64, 4.3=63...(15) QD1 ILE 15 - H LEU 14 far 0 100 0 - 3.9-5.1 QG2 ILE 7 - H LEU 14 far 0 61 0 - 6.8-7.1 QG1 VAL 107 - H LEU 14 far 0 100 0 - 7.7-8.5 QD1 ILE 7 - H LEU 14 far 0 99 0 - 8.6-8.9 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 2.8-2.9 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 2 assignments used, quality = 0.99: * HB ILE 15 + H ILE 15 OK 99 100 100 99 2.6-2.8 3.8=60, 77/1864=53...(10) HB3 LYS 17 - H ILE 15 far 0 97 0 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 1098 from nnoeabs.peaks (0.85, 8.24, 119.48 ppm; 3.76 A increased from 3.35 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 15 + H ILE 15 OK 100 100 100 100 3.7-3.8 2.1/1097=80, 4.1=79...(10) QG2 THR 9 + H ILE 15 OK 61 73 100 83 3.3-3.8 9125=35, 9116/1099=31...(7) QD1 LEU 14 - H ILE 15 far 0 87 0 - 4.6-4.7 QG2 ILE 57 - H ILE 15 far 0 97 0 - 4.7-5.2 HG13 ILE 57 - H ILE 15 far 0 87 0 - 6.9-7.8 QG2 VAL 117 - H ILE 15 far 0 65 0 - 7.8-8.4 QG2 VAL 22 - H ILE 15 far 0 97 0 - 8.1-8.9 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 1 assignment used, quality = 1.00: * HG12 ILE 15 + H ILE 15 OK 100 100 100 100 1.9-2.1 1.8/1100=68, 2.1/1101=61...(12) 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 3.2-3.5 1.8/1099=78, 2.1/74=67...(13) QG1 VAL 22 - H ILE 15 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 1101 from nnoeabs.peaks (0.76, 8.24, 119.48 ppm; 3.72 A increased from 3.31 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 15 + H ILE 15 OK 100 100 100 100 2.4-3.6 2713=86, 2.1/1099=74...(9) QD2 LEU 14 - H ILE 15 far 0 100 0 - 4.1-4.4 QD1 ILE 7 - H ILE 15 far 0 100 0 - 7.6-8.0 QG1 VAL 107 - H ILE 15 far 0 100 0 - 8.5-9.2 Violated in 0 structures by 0.00 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): 1 out of 2 assignments used, quality = 1.00: * HA LYS 16 + H LYS 16 OK 100 100 100 100 2.8-2.9 3.0=100 HA2 GLY 75 - H LEU 74 far 0 92 0 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 1104 from nnoeabs.peaks (1.88, 7.60, 117.60 ppm; 3.03 A increased from 2.85 A): 2 out of 10 assignments used, quality = 0.96: HB3 LYS 16 + H LYS 16 OK 94 100 95 99 2.7-3.6 2730=92, 3.0/1106=48...(9) HB2 LYS 73 + H LEU 74 OK 40 71 75 75 2.4-4.2 7670=37, 4.0/1916=29...(6) ! HB2 LYS 16 - H LYS 16 far 5 100 5 - 2.6-3.6 HB3 LYS 73 - H LEU 74 far 0 75 0 - 3.6-4.3 HB ILE 71 - H LEU 74 far 0 68 0 - 5.4-6.0 QE MET 42 - H LEU 74 far 0 75 0 - 5.5-6.6 HB2 LYS 20 - H LYS 16 far 0 92 0 - 7.6-8.8 HG LEU 45 - H LEU 74 far 0 97 0 - 8.4-9.9 HB3 LYS 20 - H LYS 16 far 0 92 0 - 9.3-9.6 HB ILE 7 - H LYS 16 far 0 87 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1105 from nnoeabs.peaks (1.88, 7.60, 117.60 ppm; 3.03 A increased from 2.85 A): 2 out of 10 assignments used, quality = 0.97: * HB3 LYS 16 + H LYS 16 OK 94 100 95 99 2.7-3.6 2730=92, 3.0/1106=48...(9) HB2 LYS 73 + H LEU 74 OK 43 75 75 76 2.4-4.2 7670=39, 4.0/1916=29...(6) HB2 LYS 16 - H LYS 16 far 5 100 5 - 2.6-3.6 HB3 LYS 73 - H LEU 74 far 0 78 0 - 3.6-4.3 HB ILE 71 - H LEU 74 far 0 71 0 - 5.4-6.0 QE MET 42 - H LEU 74 far 0 71 0 - 5.5-6.6 HB2 LYS 20 - H LYS 16 far 0 94 0 - 7.6-8.8 HG LEU 45 - H LEU 74 far 0 97 0 - 8.4-9.9 HB3 LYS 20 - H LYS 16 far 0 94 0 - 9.3-9.6 HB ILE 7 - H LYS 16 far 0 90 0 - 9.5-10.2 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 = 0.83: * HG2 LYS 16 + H LYS 16 OK 83 100 85 98 1.9-3.5 2750=49, 1.8/1107=49...(13) Violated in 3 structures by 0.06 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 1.9-2.9 1.8/1106=90, 2760=72...(14) HG LEU 14 - H LYS 16 far 0 65 0 - 7.5-8.1 QB ALA 113 - H LYS 16 far 0 81 0 - 7.7-8.5 HB3 LEU 68 - H LEU 74 far 0 71 0 - 8.8-9.6 HB3 LEU 114 - H LYS 16 far 0 100 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 1108 from nnoeabs.peaks (1.69, 7.60, 117.60 ppm; 3.04 A): 1 out of 9 assignments used, quality = 0.49: HG LEU 74 + H LEU 74 OK 49 60 90 90 1.9-3.2 2.1/5248=39, 2.1/5241=33...(10) ! HD2 LYS 16 - H LYS 16 far 10 100 10 - 1.9-4.5 HD3 LYS 16 - H LYS 16 far 5 100 5 - 3.0-4.3 HD3 LYS 73 - H LEU 74 far 0 97 0 - 3.5-6.2 HD2 LYS 73 - H LEU 74 far 0 97 0 - 3.5-5.6 HD2 LYS 17 - H LYS 16 far 0 99 0 - 5.5-6.4 HG12 ILE 71 - H LEU 74 far 0 91 0 - 5.8-6.2 HD3 LYS 20 - H LYS 16 far 0 100 0 - 6.7-10.7 HD2 LYS 20 - H LYS 16 far 0 100 0 - 7.4-10.6 Violated in 2 structures by 0.02 A. Peak 1109 from nnoeabs.peaks (1.69, 7.60, 117.60 ppm; 3.04 A): 1 out of 9 assignments used, quality = 0.59: HG LEU 74 + H LEU 74 OK 59 71 90 91 1.9-3.2 2.1/5248=39, 2.1/5241=33...(10) HD2 LYS 16 - H LYS 16 far 10 100 10 - 1.9-4.5 ! HD3 LYS 16 - H LYS 16 far 5 100 5 - 3.0-4.3 HD3 LYS 73 - H LEU 74 far 0 95 0 - 3.5-6.2 HD2 LYS 73 - H LEU 74 far 0 96 0 - 3.5-5.6 HD2 LYS 17 - H LYS 16 far 0 96 0 - 5.5-6.4 HG12 ILE 71 - H LEU 74 far 0 95 0 - 5.8-6.2 HD3 LYS 20 - H LYS 16 far 0 100 0 - 6.7-10.7 HD2 LYS 20 - H LYS 16 far 0 100 0 - 7.4-10.6 Violated in 2 structures by 0.02 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): 1 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 far 0 97 0 - 3.5-3.9 HA GLU 111 - H LYS 17 far 0 99 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1114 from nnoeabs.peaks (1.99, 7.58, 118.83 ppm; 3.78 A increased from 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + H LYS 17 OK 100 100 100 100 3.5-3.6 1.8/1115=88, 4.0=83...(13) Violated in 0 structures by 0.00 A. Peak 1115 from nnoeabs.peaks (1.92, 7.58, 118.83 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LYS 17 + H LYS 17 OK 99 100 100 99 2.3-2.5 1.8/1114=53, 4.0=49...(13) HB ILE 15 - H LYS 17 far 0 97 0 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 1116 from nnoeabs.peaks (1.75, 7.58, 118.83 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + H LYS 17 OK 100 100 100 100 2.2-2.6 3.0/1115=57, 1.8/1117=56...(14) HG12 ILE 18 - H LYS 17 far 0 92 0 - 4.6-4.9 HB2 LEU 114 - H LYS 17 far 0 57 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 1117 from nnoeabs.peaks (1.43, 7.58, 118.83 ppm; 3.97 A increased from 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 17 + H LYS 17 OK 100 100 100 100 3.5-3.7 1.8/1116=88, 2850=78...(11) QB ALA 113 - H LYS 17 far 0 61 0 - 6.7-7.5 Violated in 0 structures by 0.00 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 3.6-4.2 2864/1116=77...(14) HD3 LYS 16 + H LYS 17 OK 57 96 60 99 2.8-4.9 2.9/7368=66, 2.9/7369=63...(11) HD2 LYS 16 + H LYS 17 OK 34 99 35 99 2.9-4.4 2.9/7368=66, 2.9/7369=63...(10) HD3 LYS 20 - H LYS 17 far 0 98 0 - 5.6-8.7 HD2 LYS 20 - H LYS 17 far 0 97 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 1119 from nnoeabs.peaks (1.52, 7.58, 118.83 ppm; 4.71 A increased from 4.18 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + H LYS 17 OK 100 100 100 100 4.2-4.7 3.0/1116=87, 3.7/1115=80...(13) HG2 LYS 20 + H LYS 17 OK 37 90 45 91 4.6-6.1 2817/3.0=75, ~11543=47...(4) HB3 LEU 14 - H LYS 17 far 0 61 0 - 5.7-6.0 Violated in 0 structures by 0.00 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): 1 out of 5 assignments used, quality = 0.98: * HB ILE 18 + H ILE 18 OK 98 100 100 98 2.4-2.5 2907=59, 2923/1126=49...(11) HB3 LYS 19 - H ILE 18 far 0 84 0 - 4.3-4.7 HB2 LEU 14 - H ILE 18 far 0 100 0 - 4.5-4.9 QE MET 121 - H ILE 18 far 0 94 0 - 7.9-9.2 HB ILE 57 - H ILE 18 far 0 100 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 1125 from nnoeabs.peaks (0.72, 8.79, 120.96 ppm; 3.67 A increased from 3.26 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 18 + H ILE 18 OK 100 100 100 100 3.7-3.8 2.1/1124=81, 4.0=76...(11) HG13 ILE 18 + H ILE 18 OK 85 90 95 100 3.4-3.8 1.8/96=84, 2.9/1124=68...(12) QD1 ILE 57 - H ILE 18 far 0 90 0 - 5.0-5.6 QG1 VAL 117 - H ILE 18 far 0 100 0 - 6.3-7.1 QD2 LEU 55 - H ILE 18 far 0 65 0 - 6.6-7.0 QD2 LEU 81 - H ILE 18 far 0 87 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 1126 from nnoeabs.peaks (1.76, 8.79, 120.96 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.99: * HG12 ILE 18 + H ILE 18 OK 99 100 100 99 2.1-2.5 2923/1124=56...(14) HG2 LYS 17 - H ILE 18 far 0 92 0 - 4.2-4.6 HB2 LEU 55 - H ILE 18 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1127 from nnoeabs.peaks (0.73, 8.79, 120.96 ppm; 3.67 A increased from 3.26 A): 2 out of 5 assignments used, quality = 0.99: * HG13 ILE 18 + H ILE 18 OK 95 100 95 100 3.4-3.8 1.8/96=84, 2.9/1124=68...(12) QG2 ILE 18 + H ILE 18 OK 89 90 100 100 3.7-3.8 2.1/1124=81, 4.0=76...(11) QG2 ILE 7 - H ILE 18 far 0 77 0 - 6.1-6.5 QG1 VAL 117 - H ILE 18 far 0 96 0 - 6.3-7.1 QD2 LEU 55 - H ILE 18 far 0 97 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 1128 from nnoeabs.peaks (0.61, 8.79, 120.96 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 18 + H ILE 18 OK 100 100 100 100 3.6-3.7 2.1/96=79, 2935=74...(14) Violated in 0 structures by 0.00 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; 3.57 A increased from 3.18 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LYS 19 + H LYS 19 OK 99 100 100 99 3.4-3.5 4.0=71, 3.0/1134=58...(11) Violated in 0 structures by 0.00 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 2.1-2.2 1.8/1131=62, 4.0=55...(10) HB ILE 18 + H LYS 19 OK 78 84 100 93 2.6-3.0 2.1/105=57, 4.5=40...(7) HB2 LEU 14 - H LYS 19 far 0 90 0 - 6.5-6.9 HB ILE 57 - H LYS 19 far 0 90 0 - 7.3-8.0 QE MET 121 - H LYS 19 far 0 99 0 - 7.6-8.8 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 3.6-4.2 1.8/1134=94, 3.0/1131=74...(12) Violated in 0 structures by 0.00 A. Peak 1134 from nnoeabs.peaks (1.60, 8.53, 118.32 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.92: * HG3 LYS 19 + H LYS 19 OK 92 100 95 97 2.8-4.3 3.0/1131=51, 1.8/1133=48...(14) HD3 LYS 19 - H LYS 19 far 10 100 10 - 3.1-5.0 HD2 LYS 19 - H LYS 19 far 5 100 5 - 2.9-5.3 Violated in 1 structures by 0.04 A. Peak 1137 from nnoeabs.peaks (2.70, 8.53, 118.32 ppm; 5.91 A): 2 out of 2 assignments used, quality = 0.98: * HE2 LYS 19 + H LYS 19 OK 95 100 95 100 4.1-6.0 4.0/1134=93, 4.0/1133=84...(13) HE3 LYS 19 + H LYS 19 OK 70 100 70 100 4.4-6.3 4.0/1134=93, 4.0/1133=84...(13) 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; 2.96 A increased from 2.79 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LYS 20 + H LYS 20 OK 99 100 100 99 2.3-2.8 3042=75, 122/1869=40...(19) HB3 LYS 20 - H LYS 20 far 0 100 0 - 3.6-3.6 HB2 LYS 16 - H LYS 20 far 0 92 0 - 5.5-6.7 HB3 LYS 16 - H LYS 20 far 0 94 0 - 5.6-6.9 HB3 ARG 118 - H LYS 20 far 0 61 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1142 from nnoeabs.peaks (1.89, 7.30, 116.28 ppm; 2.96 A increased from 2.79 A): 1 out of 5 assignments used, quality = 0.99: HB2 LYS 20 + H LYS 20 OK 99 100 100 99 2.3-2.8 3042=75, 122/1869=40...(19) ! HB3 LYS 20 - H LYS 20 far 0 100 0 - 3.6-3.6 HB2 LYS 16 - H LYS 20 far 0 92 0 - 5.5-6.7 HB3 LYS 16 - H LYS 20 far 0 94 0 - 5.6-6.9 HB3 ARG 118 - H LYS 20 far 0 61 0 - 9.7-12.8 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 1.9-2.8 2.9/1142=78, 1.8/1144=77...(21) HD3 LYS 17 - H LYS 20 far 0 90 0 - 8.2-8.7 HB3 LEU 14 - H LYS 20 far 0 96 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 1144 from nnoeabs.peaks (1.48, 7.30, 116.28 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 20 + H LYS 20 OK 100 100 100 100 3.5-3.7 2.9/1142=76, 1.8/1143=72...(23) HG12 ILE 57 - H LYS 20 far 0 73 0 - 8.8-9.8 HG3 ARG 118 - H LYS 20 far 0 97 0 - 9.0-13.8 Violated in 0 structures by 0.00 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: HD3 LYS 20 + H LYS 20 OK 100 100 100 100 2.6-4.5 3.4/1141=82, 3.0/1144=76...(24) * HD2 LYS 20 + H LYS 20 OK 95 100 95 100 2.7-4.9 3.4/1141=82, 3.0/1144=76...(25) HD2 LYS 16 - H LYS 20 far 0 100 0 - 5.0-8.6 HD3 LYS 16 - H LYS 20 far 0 100 0 - 6.3-8.9 HD2 LYS 17 - H LYS 20 far 0 97 0 - 7.5-8.2 Violated in 0 structures by 0.00 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 2.7-2.8 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): 1 out of 3 assignments used, quality = 0.85: HG2 GLU 21 + H GLU 21 OK 85 92 100 92 2.1-2.8 3.0/1152=42, 3.0/3128=39...(11) HG3 GLU 21 - H GLU 21 far 4 87 5 - 2.6-3.9 ! HB2 GLU 21 - H GLU 21 far 0 100 0 - 3.5-3.6 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 = 1.00: * HB3 GLU 21 + H GLU 21 OK 100 100 100 100 2.2-2.7 3134=79, 1.8/3128=67...(13) HB VAL 22 - H GLU 21 far 0 90 0 - 6.3-6.5 Violated in 0 structures by 0.00 A. Peak 1153 from nnoeabs.peaks (2.11, 7.67, 118.49 ppm; 3.10 A): 1 out of 3 assignments used, quality = 0.93: * HG2 GLU 21 + H GLU 21 OK 93 100 100 93 2.1-2.8 3.0/1152=42, 3.0/3128=39...(11) HG3 GLU 21 - H GLU 21 far 5 100 5 - 2.6-3.9 HB2 GLU 21 - H GLU 21 far 0 92 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 1154 from nnoeabs.peaks (2.10, 7.67, 118.49 ppm; 3.10 A): 1 out of 3 assignments used, quality = 0.93: HG2 GLU 21 + H GLU 21 OK 93 100 100 93 2.1-2.8 3.0/1152=42, 3.0/3128=39...(11) ! HG3 GLU 21 - H GLU 21 far 5 100 5 - 2.6-3.9 HB2 GLU 21 - H GLU 21 far 0 87 0 - 3.5-3.6 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): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 26 + H GLY 26 OK 100 100 100 100 2.3-2.9 3.0=100 HA VAL 22 - H GLY 26 far 10 98 10 - 5.1-7.0 HA GLN 122 - H GLY 26 far 0 94 0 - 8.7-11.9 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 3.5-3.9 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 2.3-2.8 3.9=100 HG2 GLN 25 + H TYR 27 OK 25 92 50 55 5.5-7.4 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 2.5-3.2 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 2.8-2.8 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 2 assignments used, quality = 1.00: * HB2 GLN 28 + H GLN 28 OK 100 100 100 100 2.2-3.0 4.0=90, 1.8/1181=81...(6) HG3 GLU 52 - H GLN 28 far 0 65 0 - 4.1-8.6 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 2.2-3.6 4.0=74, 1.8/1180=66...(8) HB2 LYS 19 - H GLN 28 far 0 99 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1182 from nnoeabs.peaks (2.24, 8.34, 120.36 ppm; 4.07 A increased from 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + H GLN 28 OK 100 100 100 100 2.6-4.1 1.8/1183=74, 3308=68...(6) Violated in 1 structures by 0.00 A. Peak 1183 from nnoeabs.peaks (2.20, 8.34, 120.36 ppm; 4.14 A increased from 3.90 A): 1 out of 1 assignment used, quality = 0.94: * HG3 GLN 28 + H GLN 28 OK 94 100 95 99 2.6-4.3 1.8/1182=78, 3.0/1181=69...(6) Violated in 1 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 2.9-2.9 3.0=100 HA ILE 56 - H VAL 29 far 0 81 0 - 7.0-7.4 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 3 assignments used, quality = 0.96: * HB VAL 29 + H VAL 29 OK 96 100 100 96 2.5-2.8 3329=81, 2.1/1189=62 HB3 GLU 52 - H VAL 29 far 0 100 0 - 8.1-9.7 HB3 GLU 41 - H VAL 29 far 0 99 0 - 9.1-10.3 Violated in 0 structures by 0.00 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 2.7-3.1 2.1/1188=65, 3334=63...(6) HG13 ILE 54 - H VAL 29 far 0 77 0 - 7.5-8.2 Violated in 0 structures by 0.00 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 3.8-3.9 4.0=93, 2.1/1188=86...(5) Violated in 0 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 3.5-3.8 4.0=100 HB ILE 5 - H ARG 30 far 0 96 0 - 7.5-8.1 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 2 assignments used, quality = 0.97: * HB3 ARG 30 + H ARG 30 OK 95 100 100 95 2.3-2.8 4.0=82, 173/4.6=33...(6) HG2 ARG 30 + H ARG 30 OK 48 70 90 76 2.5-4.2 4.9=46, 1.8/1196=37...(4) 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 2 assignments used, quality = 0.89: * HG2 ARG 30 + H ARG 30 OK 70 100 90 77 2.5-4.2 4.9=44, 1.8/1196=36...(4) HB3 ARG 30 + H ARG 30 OK 64 70 100 92 2.3-2.8 4.0=79, 174/4.6=32...(6) Violated in 0 structures by 0.00 A. Peak 1196 from nnoeabs.peaks (1.45, 9.13, 127.79 ppm; 4.26 A increased from 3.78 A): 2 out of 6 assignments used, quality = 0.96: * HG3 ARG 30 + H ARG 30 OK 90 100 95 95 2.7-4.5 4.9=65, 2.8/1194=49...(6) HG12 ILE 57 + H ARG 30 OK 60 96 70 90 3.9-5.0 2.1/9254=70...(3) HB3 LEU 4 - H ARG 30 far 0 77 0 - 7.2-8.1 HB2 LEU 4 - H ARG 30 far 0 77 0 - 8.8-9.7 HG3 LYS 44 - H ARG 30 far 0 81 0 - 8.9-11.6 HG LEU 4 - H ARG 30 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 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; 3.32 A increased from 3.13 A): 1 out of 3 assignments used, quality = 0.68: HB3 ASP 31 + H ASP 31 OK 68 100 95 72 2.2-3.7 4.1=55, 1.8/3404=30, 7444/4.6=10 ! HB2 ASP 31 - H ASP 31 poor 19 100 25 76 2.9-3.8 4.1=55, 180/4.6=28, 1.8/3408=27 HG3 GLU 41 - H ASP 31 far 0 96 0 - 4.9-8.6 Violated in 1 structures by 0.02 A. Peak 1202 from nnoeabs.peaks (2.47, 8.38, 121.89 ppm; 3.32 A increased from 3.13 A): 1 out of 3 assignments used, quality = 0.68: * HB3 ASP 31 + H ASP 31 OK 68 100 95 72 2.2-3.7 4.1=55, 1.8/3404=30, 7444/4.6=10 HB2 ASP 31 - H ASP 31 poor 19 100 25 76 2.9-3.8 4.1=55, 181/4.6=28, 1.8/3408=27 HG3 GLU 41 - H ASP 31 far 0 94 0 - 4.9-8.6 Violated in 1 structures by 0.02 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 - 9.2-10.2 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 = 0.95: * HB VAL 32 + H VAL 32 OK 95 100 100 95 2.6-2.9 2.1/1207=67, 3.9=64...(5) HB2 LEU 64 - H VAL 32 far 0 84 0 - 8.4-9.5 HB2 LEU 55 - H VAL 32 far 0 77 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1206 from nnoeabs.peaks (0.87, 8.44, 120.43 ppm; 4.12 A increased from 3.88 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 32 + H VAL 32 OK 100 100 100 100 3.8-4.0 4.0=100 HG13 ILE 57 - H VAL 32 far 0 96 0 - 6.6-7.3 QG2 THR 9 - H VAL 32 far 0 99 0 - 7.8-8.3 QG2 VAL 22 - H VAL 32 far 0 84 0 - 9.7-10.7 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 = 0.92: * QG2 VAL 32 + H VAL 32 OK 92 100 100 92 2.6-3.2 2.1/1205=64, 3427=62...(4) QD1 ILE 15 - H VAL 32 far 0 100 0 - 6.1-7.1 QG2 ILE 54 - H VAL 32 far 0 70 0 - 7.6-8.3 QG2 ILE 7 - H VAL 32 far 0 61 0 - 8.8-9.6 QD1 ILE 7 - H VAL 32 far 0 99 0 - 9.2-9.6 QD1 LEU 45 - H VAL 32 far 0 94 0 - 9.5-10.4 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): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 33 + H ASN 33 OK 100 100 100 100 3.4-3.8 4.0=84, 1.8/1211=83...(7) HB2 ASP 34 - H ASN 33 far 10 100 10 - 3.9-4.6 Violated in 1 structures by 0.00 A. Peak 1211 from nnoeabs.peaks (2.69, 9.55, 122.70 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.97: * HB3 ASN 33 + H ASN 33 OK 97 100 100 97 2.4-3.5 3444=67, 1.8/1210=62...(5) HE3 LYS 19 - H ASN 33 far 0 92 0 - 9.8-13.6 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 2.4-3.8 870=74, 3.5/1211=72...(5) 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 3.6-4.7 876=100, 1.7/1212=95...(5) 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 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1216 from nnoeabs.peaks (2.91, 7.62, 114.89 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.94: * HB2 ASP 34 + H ASP 34 OK 94 100 100 94 2.6-3.4 4.0=79, 11349/9320=34...(6) HB2 ASN 33 - H ASP 34 far 0 100 0 - 4.1-4.5 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 3.0-3.9 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 - 6.9-7.0 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 2.2-2.8 1.8/1221=57, 3466=55...(5) HA LEU 38 - H SER 35 far 0 96 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 1221 from nnoeabs.peaks (3.95, 8.87, 114.38 ppm; 3.74 A increased from 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 35 + H SER 35 OK 100 100 100 100 2.3-3.6 1.8/1220=86, 3470=82...(4) Violated in 0 structures by 0.00 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 2.7-2.8 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 = 0.95: * HB2 ASP 36 + H ASP 36 OK 95 100 100 95 2.2-2.9 3478=78, 1.8/3482=57...(4) Violated in 0 structures by 0.00 A. Peak 1225 from nnoeabs.peaks (2.66, 8.39, 124.69 ppm; 3.61 A increased from 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 36 + H ASP 36 OK 100 100 100 100 2.2-3.6 3482=100, 1.8/1224=84 HG2 MET 42 - H ASP 36 far 0 98 0 - 9.5-11.0 Violated in 0 structures by 0.00 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): 1 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 far 0 84 0 - 3.9-4.3 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 3.5-3.6 3.8=89, 1.8/1229=82...(11) 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 3 assignments used, quality = 1.00: * HB3 GLU 37 + H GLU 37 OK 100 100 100 100 2.2-2.5 3.8=68, 1.8/1228=62...(13) HG3 GLU 66 - H GLU 37 far 0 87 0 - 8.9-9.6 HB3 GLN 62 - H GLU 37 far 0 96 0 - 9.7-10.3 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 = 0.95: * HG2 GLU 37 + H GLU 37 OK 95 100 95 100 2.7-3.9 3504=81, 1.8/1231=73...(10) HG3 GLU 41 - H GLU 37 far 0 70 0 - 6.6-8.3 Violated in 1 structures by 0.01 A. Peak 1231 from nnoeabs.peaks (2.73, 9.01, 122.45 ppm; 3.77 A increased from 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + H GLU 37 OK 100 100 100 100 2.6-3.7 3510=90, 1.8/1230=75...(14) HB2 ASP 60 - H GLU 37 far 0 97 0 - 8.9-9.7 Violated in 0 structures by 0.00 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + H LEU 38 OK 100 100 100 100 2.8-2.8 3.0=100 HB2 SER 35 - H LEU 38 far 0 96 0 - 5.2-5.7 HA LEU 64 - H LEU 38 far 0 99 0 - 8.9-9.4 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 2.1-2.2 1.8/1235=70, 3.8=67...(13) HG2 GLU 41 - H LEU 38 far 0 61 0 - 4.3-5.5 Violated in 0 structures by 0.00 A. Peak 1235 from nnoeabs.peaks (1.46, 8.20, 119.58 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 38 + H LEU 38 OK 100 100 100 100 2.9-2.9 1.8/1234=72, 3.8=69...(13) HG2 LYS 39 - H LEU 38 far 0 99 0 - 5.1-6.6 HG3 ARG 30 - H LEU 38 far 0 94 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 1236 from nnoeabs.peaks (1.52, 8.20, 119.58 ppm; 4.55 A increased from 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 38 + H LEU 38 OK 100 100 100 100 4.4-4.4 2.1/1237=90...(9) HG2 LYS 43 - H LEU 38 far 0 96 0 - 8.3-9.3 HB3 ARG 30 - H LEU 38 far 0 97 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 1237 from nnoeabs.peaks (0.89, 8.20, 119.58 ppm; 3.73 A increased from 3.51 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + H LEU 38 OK 100 100 100 100 3.5-3.6 4.4=62, 3.1/1234=61...(13) QD1 LEU 70 - H LEU 38 far 0 70 0 - 6.0-6.7 QD2 LEU 70 - H LEU 38 far 0 81 0 - 7.7-8.6 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 - 8.7-9.6 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 2.8-2.9 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): 1 out of 10 assignments used, quality = 0.81: HB3 LYS 39 + H LYS 39 OK 81 81 100 100 2.2-2.8 3568=100, 220/1884=62...(12) ! HB2 LYS 39 - H LYS 39 far 0 100 0 - 3.5-3.6 HB3 MET 42 - H LYS 39 far 0 73 0 - 4.6-5.5 HB2 GLU 41 - H LYS 39 far 0 73 0 - 5.1-6.3 HB3 LYS 40 - H LYS 39 far 0 90 0 - 5.3-6.1 HB VAL 104 - H ILE 97 far 0 75 0 - 5.7-6.5 HB3 GLU 41 - H LYS 39 far 0 77 0 - 6.8-7.4 HB3 LYS 65 - H ILE 97 far 0 92 0 - 7.7-8.7 HB2 LEU 70 - H LYS 39 far 0 96 0 - 7.7-8.5 HB2 LYS 65 - H ILE 97 far 0 92 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1242 from nnoeabs.peaks (1.95, 7.83, 118.40 ppm; 3.10 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 100 100 100 100 2.2-2.8 3578=99, 221/1884=62...(12) HB2 LYS 39 - H LYS 39 far 0 81 0 - 3.5-3.6 HB3 MET 42 - H LYS 39 far 0 100 0 - 4.6-5.5 HB2 GLU 41 - H LYS 39 far 0 100 0 - 5.1-6.3 HB3 LYS 40 - H LYS 39 far 0 100 0 - 5.3-6.1 HB VAL 104 - H ILE 97 far 0 91 0 - 5.7-6.5 HB3 GLU 41 - H LYS 39 far 0 100 0 - 6.8-7.4 HB3 LYS 65 - H ILE 97 far 0 65 0 - 7.7-8.7 HB2 LEU 70 - H LYS 39 far 0 98 0 - 7.7-8.5 HB2 LYS 65 - H ILE 97 far 0 68 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1243 from nnoeabs.peaks (1.46, 7.83, 118.40 ppm; 4.10 A increased from 3.64 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 2.7-4.1 1.8/1244=90, 3588=88...(14) HB3 LEU 38 + H LYS 39 OK 99 99 100 100 3.9-4.1 1.8/213=89, 4.6=70...(13) HG2 LYS 96 - H ILE 97 far 0 58 0 - 4.9-5.0 HG LEU 80 - H ILE 97 far 0 62 0 - 7.0-7.5 HG3 LYS 44 - H LYS 39 far 0 61 0 - 9.0-9.9 HG2 LYS 106 - H ILE 97 far 0 91 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 1244 from nnoeabs.peaks (1.70, 7.83, 118.40 ppm; 3.45 A): 1 out of 9 assignments used, quality = 0.99: * HG3 LYS 39 + H LYS 39 OK 99 100 100 99 1.8-3.0 3598=65, 2.9/3568=62...(14) HD3 LYS 39 - H LYS 39 far 0 98 0 - 3.8-5.0 HD2 LYS 96 - H ILE 97 far 0 55 0 - 3.9-4.6 HD2 LYS 39 - H LYS 39 far 0 97 0 - 3.9-4.6 HD3 LYS 96 - H ILE 97 far 0 62 0 - 4.3-6.0 HD2 LYS 40 - H LYS 39 far 0 70 0 - 4.4-7.5 HD3 LYS 40 - H LYS 39 far 0 65 0 - 5.7-7.9 HD3 LYS 43 - H LYS 39 far 0 77 0 - 7.6-9.3 HG12 ILE 71 - H LYS 39 far 0 99 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1245 from nnoeabs.peaks (1.71, 7.83, 118.40 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.96: HG3 LYS 39 + H LYS 39 OK 96 97 100 99 1.8-3.0 3598=63, 2.9/3568=62...(14) HD3 LYS 39 - H LYS 39 far 0 100 0 - 3.8-5.0 ! HD2 LYS 39 - H LYS 39 far 0 100 0 - 3.9-4.6 HG12 ILE 71 - H LYS 39 far 0 87 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1246 from nnoeabs.peaks (1.70, 7.83, 118.40 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.97: HG3 LYS 39 + H LYS 39 OK 97 98 100 99 1.8-3.0 3598=64, 2.9/3568=62...(14) ! HD3 LYS 39 - H LYS 39 far 0 100 0 - 3.8-5.0 HD2 LYS 39 - H LYS 39 far 0 100 0 - 3.9-4.6 HG12 ILE 71 - H LYS 39 far 0 90 0 - 9.8-10.9 Violated in 0 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 2.7-2.9 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 = 0.96: * HB2 LYS 40 + H LYS 40 OK 96 100 100 96 2.1-2.3 3658=51, 1.8/3668=37...(16) Violated in 0 structures by 0.00 A. Peak 1252 from nnoeabs.peaks (1.95, 7.78, 119.27 ppm; 2.67 A): 1 out of 7 assignments used, quality = 0.44: HB3 LYS 39 + H LYS 40 OK 44 100 55 81 2.4-3.5 7474=40, 1242/1884=39...(7) ! HB3 LYS 40 - H LYS 40 far 0 100 0 - 3.1-3.6 HB2 LYS 39 - H LYS 40 far 0 90 0 - 3.7-4.2 HB3 MET 42 - H LYS 40 far 0 99 0 - 4.6-5.5 HB2 GLU 41 - H LYS 40 far 0 99 0 - 4.6-5.1 HB3 GLU 41 - H LYS 40 far 0 99 0 - 6.1-6.4 HB2 LEU 70 - H LYS 40 far 0 100 0 - 9.1-9.9 Violated in 14 structures by 0.30 A. Peak 1253 from nnoeabs.peaks (1.38, 7.78, 119.27 ppm; 4.14 A increased from 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + H LYS 40 OK 100 100 100 100 2.9-4.2 3678=99, 2.7/1251=91...(19) HG3 LYS 43 - H LYS 40 far 5 94 5 - 4.0-6.7 Violated in 2 structures by 0.01 A. Peak 1254 from nnoeabs.peaks (1.62, 7.78, 119.27 ppm; 3.72 A increased from 3.30 A): 1 out of 2 assignments used, quality = 0.95: * HG3 LYS 40 + H LYS 40 OK 95 100 95 100 2.7-4.0 3688=92, 2.7/1251=81...(18) HG LEU 63 - H LYS 40 far 0 100 0 - 9.4-10.2 Violated in 1 structures by 0.02 A. Peak 1255 from nnoeabs.peaks (1.68, 7.78, 119.27 ppm; 4.05 A increased from 3.60 A): 1 out of 6 assignments used, quality = 0.69: HG3 LYS 39 + H LYS 40 OK 69 70 100 99 1.9-3.9 2.9/221=85, 618/218=72...(9) ! HD2 LYS 40 - H LYS 40 far 10 100 10 - 2.2-5.0 HD3 LYS 40 - H LYS 40 far 10 100 10 - 3.7-5.4 HD2 LYS 43 - H LYS 40 far 0 100 0 - 5.1-7.9 HD3 LYS 43 - H LYS 40 far 0 100 0 - 6.0-7.9 HD2 LYS 44 - H LYS 40 far 0 61 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 1256 from nnoeabs.peaks (1.68, 7.78, 119.27 ppm; 4.05 A increased from 3.60 A): 1 out of 5 assignments used, quality = 0.65: HG3 LYS 39 + H LYS 40 OK 65 65 100 99 1.9-3.9 2.9/221=85, 617/218=72...(9) HD2 LYS 40 - H LYS 40 far 10 100 10 - 2.2-5.0 ! HD3 LYS 40 - H LYS 40 far 10 100 10 - 3.7-5.4 HD2 LYS 43 - H LYS 40 far 0 100 0 - 5.1-7.9 HD3 LYS 43 - H LYS 40 far 0 100 0 - 6.0-7.9 Violated in 0 structures by 0.00 A. Peak 1257 from nnoeabs.peaks (2.97, 7.78, 119.27 ppm; 5.80 A increased from 5.16 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + H LYS 40 OK 90 100 90 100 3.2-6.9 3.9/1254=89, 5.0/1251=88...(15) HE3 LYS 40 + H LYS 40 OK 85 100 85 100 4.1-6.4 3.9/1254=89, 5.0/1251=88...(15) HE2 LYS 39 + H LYS 40 OK 67 90 75 100 4.4-6.7 3.6/1256=90, 5.0/1252=87...(11) HE3 LYS 39 + H LYS 40 OK 59 84 70 100 4.2-6.9 3.6/1255=90, 5.0/1252=87...(11) HE3 LYS 43 - H LYS 40 far 5 97 5 - 5.2-8.3 HE2 LYS 43 - H LYS 40 far 0 87 0 - 6.3-8.4 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 2.8-2.9 3.0=100 HA VAL 32 - H GLU 41 far 0 77 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 1261 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 1 out of 7 assignments used, quality = 0.82: * HB2 GLU 41 + H GLU 41 OK 82 100 100 82 2.2-2.5 4.0=38, 3.0/1263=34...(5) HB3 LYS 40 - H GLU 41 far 5 99 5 - 3.0-4.0 HB3 GLU 41 - H GLU 41 far 0 100 0 - 3.5-3.6 HB3 MET 42 - H GLU 41 far 0 100 0 - 4.4-4.9 HB3 LYS 39 - H GLU 41 far 0 100 0 - 4.8-5.7 HB2 LYS 39 - H GLU 41 far 0 73 0 - 5.4-6.2 HB2 LEU 70 - H GLU 41 far 0 96 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 1262 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 1 out of 7 assignments used, quality = 0.82: HB2 GLU 41 + H GLU 41 OK 82 100 100 82 2.2-2.5 4.0=38, 3.0/1263=34...(5) HB3 LYS 40 - H GLU 41 far 5 99 5 - 3.0-4.0 ! HB3 GLU 41 - H GLU 41 far 0 100 0 - 3.5-3.6 HB3 MET 42 - H GLU 41 far 0 100 0 - 4.4-4.9 HB3 LYS 39 - H GLU 41 far 0 100 0 - 4.8-5.7 HB2 LYS 39 - H GLU 41 far 0 77 0 - 5.4-6.2 HB2 LEU 70 - H GLU 41 far 0 97 0 - 8.5-9.5 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 2.3-3.7 3.0/1262=72, 1.8/1264=68...(6) HB2 LEU 38 - H GLU 41 far 0 61 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 1264 from nnoeabs.peaks (2.46, 8.72, 119.65 ppm; 4.00 A increased from 3.56 A): 1 out of 3 assignments used, quality = 0.99: * HG3 GLU 41 + H GLU 41 OK 99 100 100 99 2.5-3.8 1.8/1263=81, 3.0/1262=78...(6) HG2 GLU 37 - H GLU 41 far 0 70 0 - 5.2-6.6 HB2 ASP 31 - H GLU 41 far 0 96 0 - 9.7-11.1 Violated in 0 structures by 0.00 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 2.8-2.9 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 5 assignments used, quality = 1.00: * HB2 MET 42 + H MET 42 OK 100 100 100 100 3.5-3.6 3.9=76, 3.0/1269=57...(10) HB2 MET 67 - H MET 42 far 0 87 0 - 7.0-8.1 HB3 GLU 37 - H MET 42 far 0 73 0 - 7.5-7.9 HG3 GLU 66 - H MET 42 far 0 99 0 - 9.6-10.4 HG2 GLU 48 - H MET 42 far 0 90 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 1268 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 7 assignments used, quality = 1.00: * HB3 MET 42 + H MET 42 OK 99 100 100 99 2.2-2.6 1.8/1267=62, 3.9=58...(8) HB2 GLU 41 + H MET 42 OK 56 100 65 85 2.5-3.9 1261/1886=49, 4.7=36...(8) HB3 GLU 41 + H MET 42 OK 28 100 35 81 3.3-4.1 4.7=36, 4.0/1886=35...(9) HB2 LYS 39 - H MET 42 far 0 73 0 - 5.0-5.7 HB3 LYS 40 - H MET 42 far 0 99 0 - 5.2-5.7 HB3 LYS 39 - H MET 42 far 0 100 0 - 5.3-5.9 HB2 LEU 70 - H MET 42 far 0 96 0 - 6.3-7.2 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 2 assignments used, quality = 0.99: * HG2 MET 42 + H MET 42 OK 99 100 100 99 2.2-3.6 1.8/1270=61, 3.0/1267=53...(14) HB3 ASP 36 - H MET 42 far 0 98 0 - 8.8-9.9 Violated in 1 structures by 0.00 A. Peak 1270 from nnoeabs.peaks (2.76, 8.78, 118.11 ppm; 3.94 A increased from 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 42 + H MET 42 OK 100 100 100 100 2.9-3.9 1.8/1269=85, 3.0/1267=65...(11) HE2 LYS 2 - H MET 42 far 0 100 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 1271 from nnoeabs.peaks (1.87, 8.78, 118.11 ppm; 4.64 A increased from 3.71 A): 2 out of 4 assignments used, quality = 0.97: * QE MET 42 + H MET 42 OK 90 100 90 100 3.9-4.9 3803=87, 3804/3.0=83...(11) HG LEU 45 + H MET 42 OK 73 73 100 99 4.3-4.6 2.1/9414=46, ~9435=46...(11) QE MET 67 - H MET 42 far 4 81 5 - 4.5-6.0 HG LEU 70 - H MET 42 far 0 65 0 - 7.5-8.1 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 2.8-2.8 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): 1 out of 7 assignments used, quality = 0.98: * HB2 LYS 43 + H LYS 43 OK 98 100 100 98 2.2-2.6 3820=68, 3.0/1276=30...(18) HB3 LYS 43 - H LYS 43 far 0 98 0 - 3.5-3.6 HB2 LYS 44 - H LYS 43 far 0 99 0 - 4.6-5.0 HB2 LEU 45 - H LYS 43 far 0 100 0 - 5.5-5.8 HB3 LYS 44 - H LYS 43 far 0 100 0 - 6.1-6.3 HB2 LYS 49 - H LYS 43 far 0 96 0 - 8.9-15.2 HB2 LYS 73 - H LYS 43 far 0 87 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 1275 from nnoeabs.peaks (1.90, 7.50, 120.74 ppm; 2.84 A): 1 out of 8 assignments used, quality = 0.96: HB2 LYS 43 + H LYS 43 OK 96 98 100 98 2.2-2.6 3830=67, 3.0/1276=30...(18) ! HB3 LYS 43 - H LYS 43 far 0 100 0 - 3.5-3.6 HG LEU 45 - H LYS 43 far 0 61 0 - 4.1-4.7 HB2 LYS 44 - H LYS 43 far 0 92 0 - 4.6-5.0 HB2 LEU 45 - H LYS 43 far 0 100 0 - 5.5-5.8 HB3 LYS 44 - H LYS 43 far 0 99 0 - 6.1-6.3 HB2 LYS 49 - H LYS 43 far 0 100 0 - 8.9-15.2 HB2 LYS 73 - H LYS 43 far 0 98 0 - 10.0-12.9 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 2.3-3.0 3.0/1275=77, 3814/3.0=71...(24) HG LEU 38 - H LYS 43 far 0 96 0 - 6.2-6.8 HG2 ARG 30 - H LYS 43 far 0 73 0 - 9.1-11.6 HB3 ARG 30 - H LYS 43 far 0 100 0 - 9.6-11.0 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 2.3-3.6 3.0/1275=86, 1.8/1276=85...(24) HG2 LYS 40 - H LYS 43 far 0 94 0 - 5.8-7.3 Violated in 0 structures by 0.00 A. Peak 1278 from nnoeabs.peaks (1.68, 7.50, 120.74 ppm; 5.07 A increased from 4.06 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 43 + H LYS 43 OK 99 99 100 100 4.1-5.1 3.8/1274=89, 2.9/1276=87...(21) * HD2 LYS 43 + H LYS 43 OK 95 100 95 100 4.3-5.2 3.8/1274=89, 2.9/1276=87...(21) HD2 LYS 40 - H LYS 43 far 5 100 5 - 5.0-7.8 HD3 LYS 40 - H LYS 43 far 0 100 0 - 6.1-8.3 HG12 ILE 71 - H LYS 43 far 0 77 0 - 8.8-9.8 HD3 LYS 73 - H LYS 43 far 0 99 0 - 8.9-13.7 HB ILE 54 - H LYS 43 far 0 100 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 1279 from nnoeabs.peaks (1.68, 7.50, 120.74 ppm; 5.07 A increased from 4.06 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 43 + H LYS 43 OK 100 100 100 100 4.1-5.1 3.8/1274=89, 2.9/1276=87...(21) HD2 LYS 43 + H LYS 43 OK 94 99 95 100 4.3-5.2 3.8/1274=89, 2.9/1276=87...(21) HD2 LYS 40 - H LYS 43 far 5 100 5 - 5.0-7.8 HG3 LYS 39 - H LYS 43 far 0 77 0 - 5.5-7.4 HD3 LYS 40 - H LYS 43 far 0 100 0 - 6.1-8.3 HD3 LYS 44 - H LYS 43 far 0 61 0 - 6.1-7.5 HD2 LYS 44 - H LYS 43 far 0 70 0 - 6.5-7.2 HG12 ILE 71 - H LYS 43 far 0 92 0 - 8.8-9.8 HD3 LYS 73 - H LYS 43 far 0 100 0 - 8.9-13.7 HB ILE 54 - H LYS 43 far 0 100 0 - 9.5-10.9 Violated in 0 structures by 0.00 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 2.8-2.8 3.0=100 HA GLU 37 - H LYS 44 far 0 100 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 1284 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 2 out of 6 assignments used, quality = 0.98: * HB2 LYS 44 + H LYS 44 OK 94 100 100 94 2.2-2.6 3910=36, 2.9/1286=34...(18) HB2 LYS 43 + H LYS 44 OK 57 99 85 67 2.6-3.0 1274/1888=42, 7502=29...(4) HB3 LYS 43 - H LYS 44 far 0 92 0 - 3.3-3.8 HB3 LYS 44 - H LYS 44 far 0 99 0 - 3.5-3.6 HB2 LEU 45 - H LYS 44 far 0 97 0 - 5.1-5.2 HB2 LYS 49 - H LYS 44 far 0 87 0 - 6.3-13.3 Violated in 0 structures by 0.00 A. Peak 1285 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 2 out of 6 assignments used, quality = 0.97: HB2 LYS 44 + H LYS 44 OK 93 99 100 94 2.2-2.6 3910=35, 2.9/1286=34...(18) HB2 LYS 43 + H LYS 44 OK 58 100 85 68 2.6-3.0 1274/1888=43, 7503=31...(4) HB3 LYS 43 - H LYS 44 far 0 99 0 - 3.3-3.8 ! HB3 LYS 44 - H LYS 44 far 0 100 0 - 3.5-3.6 HB2 LEU 45 - H LYS 44 far 0 100 0 - 5.1-5.2 HB2 LYS 49 - H LYS 44 far 0 97 0 - 6.3-13.3 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 2.0-3.0 3930=61, 1.8/1287=56...(21) HB3 LEU 70 - H LYS 44 far 0 87 0 - 8.4-9.3 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 4 assignments used, quality = 1.00: * HG3 LYS 44 + H LYS 44 OK 100 100 100 100 3.2-3.7 1.8/1286=88, 3940=61...(22) HG2 LYS 39 - H LYS 44 far 0 61 0 - 6.7-9.7 HG3 ARG 30 - H LYS 44 far 0 81 0 - 7.3-11.0 HG12 ILE 56 - H LYS 44 far 0 90 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 1288 from nnoeabs.peaks (1.70, 7.45, 118.27 ppm; 4.78 A increased from 4.02 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 44 + H LYS 44 OK 100 100 100 100 4.0-4.7 2.9/1286=89, 3952/4.0=83...(23) HD3 LYS 44 + H LYS 44 OK 90 100 90 100 3.9-5.1 3954/1286=95...(22) HD3 LYS 43 - H LYS 44 far 0 70 0 - 5.3-6.4 HD2 LYS 40 - H LYS 44 far 0 61 0 - 5.9-8.1 HG3 LYS 39 - H LYS 44 far 0 100 0 - 7.4-9.8 HB ILE 54 - H LYS 44 far 0 61 0 - 8.4-9.9 HG LEU 74 - H LYS 44 far 0 100 0 - 9.0-9.9 HD3 LYS 39 - H LYS 44 far 0 99 0 - 9.0-11.3 HD2 LYS 39 - H LYS 44 far 0 99 0 - 9.5-11.6 HG12 ILE 71 - H LYS 44 far 0 97 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1289 from nnoeabs.peaks (1.70, 7.45, 118.27 ppm; 4.78 A increased from 4.02 A): 2 out of 8 assignments used, quality = 1.00: HD2 LYS 44 + H LYS 44 OK 100 100 100 100 4.0-4.7 2.9/1286=89, 3952/4.0=83...(23) * HD3 LYS 44 + H LYS 44 OK 90 100 90 100 3.9-5.1 3954/1286=95...(22) HD3 LYS 43 - H LYS 44 far 0 61 0 - 5.3-6.4 HG3 LYS 39 - H LYS 44 far 0 99 0 - 7.4-9.8 HG LEU 74 - H LYS 44 far 0 100 0 - 9.0-9.9 HD3 LYS 39 - H LYS 44 far 0 100 0 - 9.0-11.3 HD2 LYS 39 - H LYS 44 far 0 100 0 - 9.5-11.6 HG12 ILE 71 - H LYS 44 far 0 94 0 - 9.9-10.9 Violated in 0 structures by 0.00 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: * HE2 LYS 44 + H LYS 44 OK 100 100 100 100 4.2-5.7 3.7/1286=98, 3.7/1287=94...(16) HE3 LYS 44 + H LYS 44 OK 95 100 95 100 3.8-6.6 3.7/1286=98, 3.7/1287=94...(15) HD3 ARG 30 - H LYS 44 far 0 100 0 - 6.9-10.9 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: HE2 LYS 44 + H LYS 44 OK 100 100 100 100 4.2-5.7 3.7/1286=98, 3.7/1287=94...(16) * HE3 LYS 44 + H LYS 44 OK 95 100 95 100 3.8-6.6 3.7/1286=98, 3.7/1287=94...(15) HD3 ARG 30 - H LYS 44 far 0 100 0 - 6.9-10.9 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 2.8-2.8 3.0=100 HA LEU 70 - H LEU 45 far 0 84 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1294 from nnoeabs.peaks (1.90, 8.16, 117.78 ppm; 2.89 A increased from 2.72 A): 2 out of 7 assignments used, quality = 0.99: * HB2 LEU 45 + H LEU 45 OK 98 100 100 98 2.7-2.8 1.8/1295=47, 3997=40...(12) HB2 LYS 44 + H LEU 45 OK 74 97 95 80 2.6-3.8 7512=27, 4.0/1889=27...(10) HB3 LYS 44 - H LEU 45 far 0 100 0 - 3.6-4.2 HB2 LYS 43 - H LEU 45 far 0 100 0 - 4.9-5.2 HB3 LYS 43 - H LEU 45 far 0 100 0 - 5.1-5.7 HB2 LYS 49 - H LEU 45 far 0 99 0 - 5.4-11.6 HB2 LYS 73 - H LEU 45 far 0 94 0 - 9.9-13.1 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 2 assignments used, quality = 1.00: * HB3 LEU 45 + H LEU 45 OK 100 100 100 100 3.6-3.6 4004=73, 3.0/1296=68...(11) HG2 ARG 30 - H LEU 45 far 0 90 0 - 7.7-10.0 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 6 assignments used, quality = 0.98: * HG LEU 45 + H LEU 45 OK 98 100 100 98 1.9-2.0 2.1/1298=44, 4011=44...(10) HB3 LYS 43 - H LEU 45 far 0 61 0 - 5.1-5.7 QE MET 42 - H LEU 45 far 0 73 0 - 5.2-6.1 HB2 LYS 49 - H LEU 45 far 0 70 0 - 5.4-11.6 QE MET 67 - H LEU 45 far 0 100 0 - 7.9-9.4 HB2 LYS 73 - H LEU 45 far 0 84 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 1297 from nnoeabs.peaks (0.75, 8.16, 117.78 ppm; 3.73 A increased from 3.51 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 45 + H LEU 45 OK 100 100 100 100 3.6-3.6 2.1/1296=88, 2.1/1298=74...(12) QG2 ILE 54 - H LEU 45 far 0 96 0 - 5.6-7.3 QG2 VAL 32 - H LEU 45 far 0 94 0 - 8.1-8.6 QD2 LEU 6 - H LEU 45 far 0 61 0 - 10.0-10.7 Violated in 0 structures by 0.00 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 2.3-2.9 2.1/1296=82, 3996/3.0=62...(11) QG2 VAL 78 - H LEU 45 far 0 100 0 - 8.8-9.3 QD2 LEU 6 - H LEU 45 far 0 92 0 - 10.0-10.7 Violated in 0 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 3 assignments used, quality = 1.00: * HA ALA 46 + H ALA 46 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 47 - H ALA 46 far 0 100 0 - 4.8-5.2 HA GLU 41 - H ALA 46 far 0 90 0 - 7.3-7.7 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 = 0.92: * QB ALA 46 + H ALA 46 OK 92 100 100 92 2.1-2.3 2.9=82, 280/278=31...(4) HG2 LYS 65 - H GLU 69 far 0 72 0 - 4.5-7.2 HB VAL 78 - H GLU 69 far 0 66 0 - 8.1-8.7 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): 1 out of 3 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 far 15 100 15 - 3.3-3.5 HA GLU 41 - H GLU 47 far 0 84 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 1304 from nnoeabs.peaks (2.06, 7.71, 115.49 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLU 47 + H GLU 47 OK 99 100 100 99 2.2-2.3 1.8/1305=60, 4044=58...(9) HB2 GLU 48 - H GLU 47 far 0 73 0 - 4.2-6.2 HB3 GLU 48 - H GLU 47 far 0 73 0 - 4.5-6.1 HG3 GLU 52 - H GLU 47 far 0 87 0 - 9.8-14.9 Violated in 0 structures by 0.00 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 3.5-3.6 4050=87, 1.8/1304=81...(9) HG2 GLU 52 - H GLU 47 far 0 92 0 - 9.3-14.2 Violated in 3 structures by 0.00 A. Peak 1306 from nnoeabs.peaks (2.29, 7.71, 115.49 ppm; 4.09 A increased from 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 47 + H GLU 47 OK 100 100 100 100 3.7-3.9 4056=97, 1.8/1307=88...(8) Violated in 0 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 3.0-3.3 4062=84, 3.0/1304=60...(9) 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 - 7.9-8.3 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 5 assignments used, quality = 0.96: * HB2 GLU 48 + H GLU 48 OK 73 100 85 86 2.3-3.9 4.1=68, 3.0/4086=35, 3.0/1313=33 HB2 GLU 47 + H GLU 48 OK 67 73 100 91 2.7-3.4 1.8/284=64, 4.0/281=53, 4.6=46 HB3 GLU 48 + H GLU 48 OK 60 100 70 86 2.4-3.9 4.1=68, 3.0/4086=35, 3.0/1313=33 HG3 GLU 52 - H GLU 48 far 0 99 0 - 8.4-13.4 HB2 MET 1 - H GLU 48 far 0 92 0 - 9.2-14.1 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 5 assignments used, quality = 0.96: HB2 GLU 48 + H GLU 48 OK 73 100 85 86 2.3-3.9 4.1=68, 3.0/4086=35, 3.0/1313=33 HB2 GLU 47 + H GLU 48 OK 67 73 100 91 2.7-3.4 1.8/284=64, 4.0/281=53, 4.6=46 * HB3 GLU 48 + H GLU 48 OK 60 100 70 86 2.4-3.9 4.1=68, 3.0/4086=35, 3.0/1313=33 HG3 GLU 52 - H GLU 48 far 0 99 0 - 8.4-13.4 HB2 MET 1 - H GLU 48 far 0 92 0 - 9.2-14.1 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 4 assignments used, quality = 1.00: * HG2 GLU 48 + H GLU 48 OK 100 100 100 100 2.2-4.8 5.1=100 HB2 MET 42 - H GLU 48 far 0 90 0 - 8.9-9.3 HB3 MET 1 - H GLU 48 far 0 99 0 - 9.5-14.4 HG3 GLN 28 - H GLU 48 far 0 100 0 - 9.9-13.8 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 2.7-5.0 4092=99, 1.8/4086=83...(4) Violated in 1 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 2.3-2.9 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 2.3-3.8 4.0=100 HB3 LYS 44 - H LYS 49 far 5 97 5 - 4.7-9.2 HB2 LEU 45 - H LYS 49 far 0 99 0 - 5.6-9.7 HB2 LYS 44 - H LYS 49 far 0 87 0 - 5.9-10.3 HG LEU 45 - H LYS 49 far 0 70 0 - 7.1-10.5 HB3 LYS 43 - H LYS 49 far 0 100 0 - 8.2-11.8 HB2 LYS 43 - H LYS 49 far 0 96 0 - 8.8-12.7 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 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1318 from nnoeabs.peaks (1.46, 8.61, 124.42 ppm; 4.71 A increased from 4.43 A): 2 out of 3 assignments used, quality = 1.00: HG3 LYS 49 + H LYS 49 OK 100 100 100 100 2.1-4.7 4.8=94, 3.0/4118=77...(16) * HG2 LYS 49 + H LYS 49 OK 90 100 90 100 2.1-5.2 4.8=94, 3.0/4118=77...(16) HB2 LEU 74 - H LYS 49 far 0 96 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 1319 from nnoeabs.peaks (1.46, 8.61, 124.42 ppm; 4.71 A increased from 4.43 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 49 + H LYS 49 OK 100 100 100 100 2.1-4.7 4.8=94, 3.0/4118=77...(16) HG2 LYS 49 + H LYS 49 OK 90 100 90 100 2.1-5.2 4.8=94, 3.0/4118=77...(16) HB2 LEU 74 - H LYS 49 far 0 96 0 - 9.5-14.1 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 3 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 2.4-3.9 4.0=100 HE3 LYS 53 - H ASN 50 far 0 90 0 - 9.8-14.7 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 3 assignments used, quality = 1.00: * HB3 ASN 50 + H ASN 50 OK 100 100 100 100 2.4-3.9 4.0=100 HB2 ASN 50 + H ASN 50 OK 100 100 100 100 2.2-4.0 4.0=100 HE3 LYS 53 - H ASN 50 far 0 92 0 - 9.8-14.7 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 2.3-2.9 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 2.2-3.8 4.0=78, 1.8/1333=74 HE3 LYS 49 - H PHE 51 far 0 87 0 - 5.4-11.1 HE2 LYS 49 - H PHE 51 far 0 87 0 - 6.3-10.8 Violated in 2 structures by 0.01 A. Peak 1333 from nnoeabs.peaks (2.97, 8.34, 120.70 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.85: * HB3 PHE 51 + H PHE 51 OK 85 100 90 95 2.4-3.9 4.0=79, 1.8/1332=74 Violated in 3 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 2.8-2.9 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 2.2-3.6 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; 4.24 A increased from 3.99 A): 1 out of 3 assignments used, quality = 0.98: * HG2 LYS 53 + H LYS 53 OK 98 100 100 98 1.9-4.3 1.8/1343=75, 4.7=74...(4) QG2 ILE 3 - H LYS 53 far 0 92 0 - 5.8-6.6 HG2 LYS 2 - H LYS 53 far 0 61 0 - 6.2-8.5 Violated in 2 structures by 0.00 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 2.3-4.2 1.8/1342=79, 4.7=78...(4) Violated in 0 structures by 0.00 A. Peak 1345 from nnoeabs.peaks (1.27, 7.96, 119.96 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 100 100 100 100 2.5-5.0 6.2=100 HG12 ILE 54 + H LYS 53 OK 30 61 50 98 6.0-6.6 2.1/10800=92, 321/4.6=80 HD2 LYS 2 - H LYS 53 far 0 97 0 - 6.6-9.0 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 - 7.2-7.7 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 4 assignments used, quality = 0.99: * HB ILE 54 + H ILE 54 OK 99 100 100 99 2.6-2.8 3.9=81, 3.0/1353=48...(9) HB ILE 56 - H ILE 54 far 0 97 0 - 7.6-8.5 HD2 LYS 44 - H ILE 54 far 0 61 0 - 9.2-13.5 HG12 ILE 71 - H ILE 54 far 0 87 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1351 from nnoeabs.peaks (0.75, 8.80, 124.73 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 54 + H ILE 54 OK 100 100 100 100 3.8-3.9 4.0=100 QD1 LEU 45 - H ILE 54 far 0 96 0 - 5.1-6.4 QD2 LEU 55 - H ILE 54 far 0 92 0 - 6.9-7.2 QD2 LEU 6 - H ILE 54 far 0 90 0 - 8.1-8.8 QG2 VAL 32 - H ILE 54 far 0 70 0 - 9.5-10.1 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 4.0-4.3 1.8/1353=82, 4.6=82...(8) HD2 LYS 2 - H ILE 54 far 13 87 15 - 4.0-7.2 HD3 LYS 53 - H ILE 54 far 0 61 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 1353 from nnoeabs.peaks (0.91, 8.80, 124.73 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 54 + H ILE 54 OK 100 100 100 100 2.6-2.9 2.1/1354=74, 1.8/1352=71...(7) QG2 VAL 29 - H ILE 54 far 0 77 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 1354 from nnoeabs.peaks (0.64, 8.80, 124.73 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + H ILE 54 OK 100 100 100 100 3.4-3.8 4404=94, 2.1/1353=68...(10) QD1 LEU 4 - H ILE 54 far 0 97 0 - 4.4-5.1 QD1 ILE 5 - H ILE 54 far 0 90 0 - 6.2-7.0 QD1 ILE 71 - H ILE 54 far 0 61 0 - 7.6-8.5 QG1 VAL 22 - H ILE 54 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 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 = 0.98: * HB2 LEU 55 + H LEU 55 OK 98 100 100 98 2.6-2.8 3.9=85, 3.1/1360=45...(8) 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 2.4-2.7 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 2 assignments used, quality = 1.00: * HG LEU 55 + H LEU 55 OK 100 100 100 100 4.4-4.6 5.2=100 HG2 LYS 44 - H LEU 55 far 0 73 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 1360 from nnoeabs.peaks (0.68, 9.10, 130.09 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.97: * QD1 LEU 55 + H LEU 55 OK 97 100 100 97 4.1-4.4 4.7=80, 3.1/1357=71...(4) QD2 LEU 4 - H LEU 55 far 0 98 0 - 4.6-5.0 QG2 ILE 56 - H LEU 55 far 0 92 0 - 6.3-6.6 Violated in 3 structures by 0.00 A. Peak 1361 from nnoeabs.peaks (0.74, 9.10, 130.09 ppm; 3.41 A): 1 out of 9 assignments used, quality = 0.88: QG2 ILE 54 + H LEU 55 OK 88 92 100 96 2.2-2.9 7565=69, 3.2/325=53...(8) ! QD2 LEU 55 - H LEU 55 far 0 100 0 - 4.1-4.3 QD2 LEU 45 - H LEU 55 far 0 90 0 - 6.1-7.1 QD1 LEU 45 - H LEU 55 far 0 65 0 - 6.9-7.9 QG2 ILE 18 - H LEU 55 far 0 65 0 - 7.4-7.8 QD2 LEU 6 - H LEU 55 far 0 100 0 - 7.5-8.0 QG1 VAL 117 - H LEU 55 far 0 77 0 - 7.5-8.2 QG2 VAL 78 - H LEU 55 far 0 90 0 - 7.7-8.0 QG2 ILE 7 - H LEU 55 far 0 96 0 - 9.6-10.1 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 far 0 81 0 - 5.8-6.1 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 2.5-2.7 4.0=67, 2.1/336=54...(8) HB ILE 54 - H ILE 56 far 0 97 0 - 5.5-6.2 HG12 ILE 71 - H ILE 56 far 0 99 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 1365 from nnoeabs.peaks (0.69, 9.18, 125.98 ppm; 4.02 A increased from 3.21 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 56 + H ILE 56 OK 100 100 100 100 3.8-3.9 4.0=100 QD1 LEU 55 - H ILE 56 far 0 92 0 - 4.3-4.7 QD2 LEU 4 - H ILE 56 far 0 73 0 - 5.0-5.6 QD1 ILE 57 - H ILE 56 far 0 84 0 - 5.2-5.7 QD2 LEU 81 - H ILE 56 far 0 87 0 - 8.3-8.7 QD2 LEU 63 - H ILE 56 far 0 77 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1366 from nnoeabs.peaks (1.43, 9.18, 125.98 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.99: * HG12 ILE 56 + H ILE 56 OK 99 100 100 99 2.5-2.8 2.1/1368=71, 2.9/1364=66...(8) HB3 LEU 4 - H ILE 56 poor 7 92 25 31 3.8-4.5 4.4/9529=30 HB2 LEU 4 - H ILE 56 far 0 92 0 - 4.9-5.5 HB3 LEU 63 - H ILE 56 far 0 100 0 - 9.9-10.5 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 3.9-4.1 4.6=100 QD1 LEU 38 - H ILE 56 far 0 99 0 - 8.4-9.1 HD3 LYS 2 - H ILE 56 far 0 100 0 - 9.2-13.0 QD1 ILE 3 - H ILE 56 far 0 90 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 1368 from nnoeabs.peaks (0.66, 9.18, 125.98 ppm; 3.76 A increased from 3.35 A): 1 out of 4 assignments used, quality = 0.99: * QD1 ILE 56 + H ILE 56 OK 99 100 100 99 3.6-3.8 2.1/1366=63, 4491/4.0=60...(7) QD2 LEU 4 - H ILE 56 far 0 70 0 - 5.0-5.6 QD1 LEU 4 - H ILE 56 far 0 61 0 - 5.1-5.9 QD1 ILE 71 - H ILE 56 far 0 97 0 - 5.8-6.6 Violated in 2 structures by 0.00 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 4 assignments used, quality = 0.98: * HB ILE 57 + H ILE 57 OK 98 100 100 98 2.7-2.9 4502=68, 2.9/1373=49...(11) HB ILE 18 - H ILE 57 far 0 100 0 - 8.7-9.3 HB3 LYS 19 - H ILE 57 far 0 90 0 - 9.5-10.5 HG12 ILE 5 - H ILE 57 far 0 73 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 1372 from nnoeabs.peaks (0.84, 8.54, 127.24 ppm; 3.98 A increased from 3.54 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 57 + H ILE 57 OK 100 100 100 100 3.9-3.9 4.0=98, 2.1/1371=84...(10) HG13 ILE 57 + H ILE 57 OK 34 61 55 99 3.9-4.4 1.8/1373=83, 2.9/1371=71...(9) QG2 ILE 15 - H ILE 57 far 0 97 0 - 5.5-5.9 QG2 ILE 5 - H ILE 57 far 0 100 0 - 7.0-7.6 QG2 VAL 22 - H ILE 57 far 0 81 0 - 7.3-8.2 HG13 ILE 5 - H ILE 57 far 0 98 0 - 9.4-10.2 QD2 LEU 82 - H ILE 57 far 0 77 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 1373 from nnoeabs.peaks (1.46, 8.54, 127.24 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.99: * HG12 ILE 57 + H ILE 57 OK 99 100 100 99 2.8-3.1 4516=71, 2.9/1371=62...(11) HG3 ARG 30 - H ILE 57 far 0 96 0 - 6.2-7.0 HB3 LEU 38 - H ILE 57 far 0 100 0 - 7.7-8.4 HB3 LEU 6 - H ILE 57 far 0 100 0 - 8.4-9.2 HG12 ILE 7 - H ILE 57 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 1374 from nnoeabs.peaks (0.86, 8.54, 127.24 ppm; 4.05 A increased from 3.60 A): 2 out of 9 assignments used, quality = 0.88: * HG13 ILE 57 + H ILE 57 OK 70 100 70 100 3.9-4.4 1.8/1373=85, 2.9/1371=73...(9) QG2 ILE 57 + H ILE 57 OK 61 61 100 100 3.9-3.9 4.0=100 QG2 ILE 15 - H ILE 57 far 0 87 0 - 5.5-5.9 QG1 VAL 32 - H ILE 57 far 0 96 0 - 5.7-6.2 QG2 THR 9 - H ILE 57 far 0 99 0 - 6.9-7.5 QG2 ILE 5 - H ILE 57 far 0 65 0 - 7.0-7.6 QG2 VAL 22 - H ILE 57 far 0 99 0 - 7.3-8.2 QG2 VAL 117 - H ILE 57 far 0 98 0 - 8.8-9.5 HG13 ILE 5 - H ILE 57 far 0 84 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 1375 from nnoeabs.peaks (0.71, 8.54, 127.24 ppm; 3.01 A): 1 out of 9 assignments used, quality = 0.78: QG2 ILE 56 + H ILE 57 OK 78 84 100 93 1.9-2.3 3.2/339=45, 7577=40...(9) ! QD1 ILE 57 - H ILE 57 far 0 100 0 - 3.9-4.2 QD1 LEU 6 - H ILE 57 far 0 96 0 - 5.7-6.5 QG2 ILE 18 - H ILE 57 far 0 90 0 - 7.1-7.8 QD2 LEU 63 - H ILE 57 far 0 100 0 - 7.6-8.6 QD2 LEU 45 - H ILE 57 far 0 65 0 - 7.9-9.1 QG2 VAL 78 - H ILE 57 far 0 65 0 - 8.7-9.5 QG1 VAL 117 - H ILE 57 far 0 81 0 - 8.8-9.4 QD2 LEU 81 - H ILE 57 far 0 100 0 - 9.5-10.1 Violated in 0 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 1 assignment used, quality = 1.00: * HB2 SER 58 + H SER 58 OK 100 100 100 100 2.5-2.8 4.0=100 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 3.3-3.6 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 - 7.5-8.4 HA ASN 11 - H ASN 59 far 0 65 0 - 9.8-10.6 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 2.4-3.6 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 = 0.97: * HB3 ASN 59 + H ASN 59 OK 97 100 100 97 2.6-3.8 4.0=95, 4.6/356=43 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 1 assignment used, quality = 0.99: * HB2 ASP 60 + H ASP 60 OK 99 100 100 99 2.3-2.9 4.0=80, 1.8/1389=74...(7) Violated in 0 structures by 0.00 A. Peak 1389 from nnoeabs.peaks (2.57, 7.86, 119.74 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASP 60 + H ASP 60 OK 98 100 100 98 2.5-3.6 4.0=79, 1.8/1388=73...(6) 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 1 assignment used, quality = 1.00: * HB2 LYS 61 + H LYS 61 OK 100 100 100 100 3.5-3.6 3.7=100 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 2.2-2.8 3.7=100 HB3 LEU 63 - H LYS 61 far 0 98 0 - 6.8-7.7 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 2.0-3.3 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 2.2-3.9 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 = 0.96: HB3 GLN 62 + H GLN 62 OK 81 100 100 81 2.4-2.8 4.0=38, 378/1905=28...(9) * HB2 GLN 62 + H GLN 62 OK 79 100 100 79 2.3-2.7 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 = 0.96: * HB3 GLN 62 + H GLN 62 OK 81 100 100 81 2.4-2.8 4.0=38, 378/1905=28...(9) HB2 GLN 62 + H GLN 62 OK 79 100 100 79 2.3-2.7 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): 0 out of 2 assignments used, quality = 0.00: ! HG2 GLN 62 - H GLN 62 far 0 100 0 - 4.3-4.6 HG3 GLN 62 - H GLN 62 far 0 100 0 - 4.4-4.6 Violated in 20 structures by 0.58 A. Peak 1405 from nnoeabs.peaks (2.41, 8.43, 118.92 ppm; 3.41 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 62 - H GLN 62 far 0 100 0 - 4.3-4.6 ! HG3 GLN 62 - H GLN 62 far 0 100 0 - 4.4-4.6 Violated in 20 structures by 0.58 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 2.2-2.5 4716=83, 1.8/1411=67...(13) QE MET 67 - H LEU 63 far 0 94 0 - 5.4-6.2 QE MET 42 - H LEU 63 far 0 99 0 - 9.5-10.2 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 2 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...(12) HB3 LYS 61 - H LEU 63 far 0 98 0 - 5.2-6.4 Violated in 0 structures by 0.00 A. Peak 1412 from nnoeabs.peaks (1.62, 7.67, 120.07 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.99: * HG LEU 63 + H LEU 63 OK 99 100 100 99 2.3-2.9 4730=72, 2.1/1413=50...(12) HB3 LEU 64 - H LEU 63 far 0 94 0 - 4.4-4.8 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 3.1-3.9 2.1/1412=83, 4737=79...(11) QD1 LEU 6 - H LEU 63 far 0 98 0 - 6.9-7.5 QG2 ILE 56 - H LEU 63 far 0 77 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 1414 from nnoeabs.peaks (0.74, 7.67, 120.07 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 63 + H LEU 63 OK 100 100 100 100 3.7-3.9 2.1/1412=85, 2.1/1413=72...(13) QD2 LEU 6 - H LEU 63 far 0 98 0 - 7.3-7.9 Violated in 0 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 2.8-2.9 2.9=100 HB2 SER 35 - H LEU 64 far 0 87 0 - 8.2-10.2 HA LEU 38 - H LEU 64 far 0 99 0 - 8.2-8.9 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 2.8-3.0 3.6=96, 1.8/1418=84...(12) HB VAL 32 - H LEU 64 far 0 84 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 1418 from nnoeabs.peaks (1.63, 7.63, 117.70 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LEU 64 + H LEU 64 OK 98 100 100 98 2.2-2.3 3.6=64, 1.8/1417=56...(12) HG LEU 63 - H LEU 64 far 0 94 0 - 4.4-4.9 HG LEU 64 - H LEU 64 far 0 84 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 1419 from nnoeabs.peaks (1.64, 7.63, 117.70 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.82: HB3 LEU 64 + H LEU 64 OK 82 84 100 98 2.2-2.3 3.6=64, 1.8/1417=56...(12) ! HG LEU 64 - H LEU 64 far 0 100 0 - 4.4-4.5 HD3 LYS 65 - H LEU 64 far 0 94 0 - 4.8-6.9 HD2 LYS 65 - H LEU 64 far 0 87 0 - 5.4-8.4 Violated in 0 structures by 0.00 A. Peak 1420 from nnoeabs.peaks (0.81, 7.63, 117.70 ppm; 4.48 A increased from 3.58 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 4.3-4.4 4779=100, 2.1/1421=85...(8) QD2 LEU 82 - H LEU 64 far 0 90 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 1421 from nnoeabs.peaks (0.78, 7.63, 117.70 ppm; 3.94 A increased from 3.71 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 3.5-3.7 4786=78, 3.1/1418=70...(10) QD1 LEU 80 - H LEU 64 far 0 96 0 - 6.4-6.8 QD2 LEU 80 - H LEU 64 far 0 97 0 - 7.2-7.7 QD1 LEU 82 - H LEU 64 far 0 99 0 - 7.9-8.6 QD1 ILE 15 - H LEU 64 far 0 61 0 - 9.5-10.4 Violated in 0 structures by 0.00 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 2.8-2.8 3.0=100 HA LYS 115 + H ARG 118 OK 56 64 95 93 3.1-3.5 8261=61, 8264/4.1=38...(8) HB2 SER 58 - H THR 9 far 0 56 0 - 5.7-6.4 HB2 SER 58 - H LYS 65 far 0 81 0 - 6.2-6.9 HA ALA 113 - H ARG 118 far 0 64 0 - 6.7-7.0 HA LEU 68 - H LYS 65 far 0 77 0 - 7.1-7.5 HA ALA 113 - H THR 9 far 0 74 0 - 9.1-10.1 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 10 assignments used, quality = 0.98: * HB2 LYS 65 + H LYS 65 OK 97 100 100 97 2.7-3.0 4803=53, 7623/1908=44...(14) HB3 LYS 65 + H LYS 65 OK 44 100 45 97 2.2-3.6 4.0=47, 1.8/4803=42...(16) HB3 LYS 115 - H ARG 118 far 0 68 0 - 4.9-5.6 HB2 LYS 115 - H ARG 118 far 0 64 0 - 5.2-5.8 HG2 MET 121 - H ARG 118 far 0 40 0 - 6.6-7.5 HB2 LEU 81 - H THR 9 far 0 54 0 - 7.1-7.6 HB ILE 15 - H THR 9 far 0 41 0 - 7.4-8.0 HB2 LEU 81 - H ARG 118 far 0 45 0 - 8.5-8.8 HB2 LEU 70 - H LYS 65 far 0 96 0 - 9.0-9.5 HB2 LYS 123 - H ARG 118 far 0 68 0 - 9.1-11.5 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 11 assignments used, quality = 0.98: HB2 LYS 65 + H LYS 65 OK 97 100 100 97 2.7-3.0 4803=53, 7624/1908=44...(14) * HB3 LYS 65 + H LYS 65 OK 44 100 45 97 2.2-3.6 4.0=47, 1.8/4803=42...(16) HB3 LYS 115 - H ARG 118 far 0 68 0 - 4.9-5.6 HB2 LYS 115 - H ARG 118 far 0 65 0 - 5.2-5.8 HG2 MET 121 - H ARG 118 far 0 42 0 - 6.6-7.5 HB2 LEU 81 - H THR 9 far 0 56 0 - 7.1-7.6 HB ILE 15 - H THR 9 far 0 44 0 - 7.4-8.0 HB2 LEU 81 - H ARG 118 far 0 48 0 - 8.5-8.8 HB2 LEU 70 - H LYS 65 far 0 94 0 - 9.0-9.5 HB2 LYS 123 - H ARG 118 far 0 68 0 - 9.1-11.5 HB3 LYS 123 - H ARG 118 far 0 34 0 - 9.1-11.0 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 3 assignments used, quality = 0.55: * HG2 LYS 65 + H LYS 65 OK 55 100 55 99 1.9-4.6 4797/3.0=60, 1.8/1427=58...(17) HG2 LYS 115 - H ARG 118 far 0 52 0 - 5.3-6.5 HG LEU 55 - H ARG 118 far 0 40 0 - 9.3-10.3 Violated in 9 structures by 0.42 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 2.7-4.1 1.8/1426=90, 4833=73...(16) HG LEU 81 - H THR 9 far 0 78 0 - 6.6-7.1 HB3 LEU 81 - H ARG 118 far 0 52 0 - 7.9-8.2 HG LEU 81 - H ARG 118 far 0 67 0 - 8.7-8.9 HB3 LEU 81 - H THR 9 far 0 62 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 1428 from nnoeabs.peaks (1.65, 8.04, 118.31 ppm; 3.86 A increased from 3.43 A): 3 out of 8 assignments used, quality = 0.94: HG LEU 64 + H LYS 65 OK 86 87 100 99 3.7-3.7 2.1/397=68, 5796=63...(10) HD3 LYS 65 + H LYS 65 OK 35 100 35 99 3.2-4.4 3.0/1426=62, 3.0/1427=52...(17) * HD2 LYS 65 + H LYS 65 OK 30 100 30 99 3.7-5.6 3.0/1426=62, 3.0/1427=52...(19) HD3 LYS 115 - H ARG 118 far 0 65 0 - 5.1-7.3 HD2 LYS 115 - H ARG 118 far 0 67 0 - 6.8-8.0 HG LEU 114 - H ARG 118 far 0 67 0 - 7.2-7.8 HG LEU 64 - H THR 9 far 0 62 0 - 8.4-8.9 HB ILE 5 - H ARG 118 far 0 61 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 1429 from nnoeabs.peaks (1.65, 8.04, 118.31 ppm; 3.86 A increased from 3.43 A): 3 out of 8 assignments used, quality = 0.97: HG LEU 64 + H LYS 65 OK 93 94 100 99 3.7-3.7 5796=75, 2.1/397=68...(10) * HD3 LYS 65 + H LYS 65 OK 35 100 35 99 3.2-4.4 3.0/1426=62, 3.0/1427=52...(17) HD2 LYS 65 + H LYS 65 OK 30 100 30 99 3.7-5.6 3.0/1426=62, 3.0/1427=52...(19) HD3 LYS 115 - H ARG 118 far 0 61 0 - 5.1-7.3 HD2 LYS 115 - H ARG 118 far 0 65 0 - 6.8-8.0 HG LEU 114 - H ARG 118 far 0 68 0 - 7.2-7.8 HG LEU 64 - H THR 9 far 0 69 0 - 8.4-8.9 HB ILE 5 - H ARG 118 far 0 65 0 - 8.8-9.3 Violated in 0 structures by 0.00 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; 3.78 A increased from 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 66 + H GLU 66 OK 100 100 100 100 3.5-3.6 3.7=100 HB3 MET 67 - H GLU 66 far 0 94 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 1435 from nnoeabs.peaks (2.09, 7.80, 119.36 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 66 + H GLU 66 OK 99 100 100 99 2.2-2.6 4895=80, 411/408=44...(12) HB3 GLU 69 - H GLU 66 far 0 99 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 1436 from nnoeabs.peaks (2.39, 7.80, 119.36 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 66 + H GLU 66 OK 100 100 100 100 2.3-2.8 4901=100, 4904/1435=73...(12) HG3 MET 67 - H GLU 66 far 0 99 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 1437 from nnoeabs.peaks (2.19, 7.80, 119.36 ppm; 4.11 A increased from 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 66 + H GLU 66 OK 100 100 100 100 3.7-4.0 4907=100, 4910/1435=82...(13) HB2 MET 67 - H GLU 66 far 0 73 0 - 4.8-5.1 HB2 GLU 69 - H GLU 66 far 0 81 0 - 5.3-5.9 Violated in 0 structures by 0.00 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 2 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 - 8.2-9.0 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 = 0.98: * HB2 MET 67 + H MET 67 OK 98 100 100 98 2.2-2.4 1.8/1441=73, 4.0=49...(11) HG3 GLU 66 - H MET 67 far 0 73 0 - 5.0-5.2 HB2 GLU 69 - H MET 67 far 0 100 0 - 5.3-5.6 HB2 MET 42 - H MET 67 far 0 87 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 1441 from nnoeabs.peaks (2.05, 8.39, 118.40 ppm; 3.08 A): 1 out of 2 assignments used, quality = 0.97: * HB3 MET 67 + H MET 67 OK 97 100 100 97 2.7-3.0 1.8/1440=65, 4.0=44...(9) HB2 GLU 66 - H MET 67 far 0 94 0 - 3.2-3.8 Violated in 0 structures by 0.00 A. Peak 1442 from nnoeabs.peaks (2.57, 8.39, 118.40 ppm; 4.58 A increased from 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 67 + H MET 67 OK 100 100 100 100 4.3-4.4 4934=100, 3.0/410=89...(9) HB3 ASP 60 - H MET 67 far 0 100 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 1443 from nnoeabs.peaks (2.40, 8.39, 118.40 ppm; 4.53 A increased from 3.82 A): 2 out of 4 assignments used, quality = 0.95: HG2 GLU 66 + H MET 67 OK 84 99 85 100 4.3-4.8 4904/411=84, 5.0=74...(8) * HG3 MET 67 + H MET 67 OK 70 100 70 100 4.5-4.6 3.0/1441=88, 3.0/1440=86...(12) HG3 GLN 62 - H MET 67 far 0 70 0 - 6.1-6.9 HG2 GLN 62 - H MET 67 far 0 65 0 - 6.8-8.4 Violated in 0 structures by 0.00 A. Peak 1444 from nnoeabs.peaks (1.88, 8.39, 118.40 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * QE MET 67 + H MET 67 OK 100 100 100 100 3.5-4.1 4948=100, 4951/1441=79...(11) QE MET 42 - H MET 67 far 0 81 0 - 5.1-5.5 HB2 LEU 63 - H MET 67 far 0 94 0 - 5.7-6.3 HB ILE 71 - H MET 67 far 0 73 0 - 7.3-7.6 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 26 77 40 85 3.3-3.8 8125/1447=30...(8) HB2 SER 58 - H LEU 68 far 0 100 0 - 7.0-8.1 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 2.4-2.7 4962=67, 1.8/1448=59...(10) HB2 LEU 80 - H LEU 68 far 0 98 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 1448 from nnoeabs.peaks (1.38, 8.47, 118.27 ppm; 3.81 A increased from 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + H LEU 68 OK 100 100 100 100 3.6-3.6 1.8/1447=85, 4.0=84...(10) 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 4 assignments used, quality = 0.99: * HG LEU 68 + H LEU 68 OK 99 100 100 99 2.0-2.4 4976=55, 3.0/1447=50...(13) HB3 LEU 70 - H LEU 68 far 0 65 0 - 6.7-7.1 HG2 LYS 73 - H LEU 68 far 0 94 0 - 8.6-10.0 HG LEU 82 - H LEU 68 far 0 92 0 - 9.7-10.2 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 3.1-3.7 2.1/1449=83, 2.1/1451=67...(13) Violated in 0 structures by 0.00 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 2.4-3.6 2.1/1449=87, 2.1/1450=74...(11) 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 0 68 0 - 4.3-4.9 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 8 assignments used, quality = 0.99: * HB2 GLU 69 + H GLU 69 OK 99 100 100 99 2.2-2.7 1.8/1455=53, 4.0=45...(12) HG2 GLU 48 - H ALA 46 far 0 72 0 - 4.7-8.8 HB2 MET 42 - H ALA 46 far 0 61 0 - 4.9-5.6 HB2 MET 67 - H GLU 69 far 0 100 0 - 5.8-6.1 HB2 GLN 100 - H GLU 69 far 0 94 0 - 6.1-7.7 HG3 GLU 66 - H GLU 69 far 0 81 0 - 7.2-7.4 HB2 MET 42 - H GLU 69 far 0 92 0 - 8.6-9.7 HB3 MET 1 - H ALA 46 far 0 71 0 - 9.1-14.3 Violated in 0 structures by 0.00 A. Peak 1455 from nnoeabs.peaks (2.09, 7.63, 118.68 ppm; 3.67 A increased from 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 69 + H GLU 69 OK 100 100 100 100 3.5-3.6 5009=97, 1.8/1454=87...(11) HB3 GLU 66 - H GLU 69 far 0 99 0 - 5.8-6.0 HG2 GLU 52 - H ALA 46 far 0 58 0 - 9.6-14.2 Violated in 0 structures by 0.00 A. Peak 1456 from nnoeabs.peaks (2.27, 7.63, 118.68 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 69 + H GLU 69 OK 100 100 100 100 2.0-3.9 5015=99, 5017/1454=82...(12) Violated in 1 structures by 0.00 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 2.8-3.0 5021=89, 1.8/1456=65...(10) HG2 GLN 100 - H GLU 69 far 0 99 0 - 5.4-7.9 Violated in 0 structures by 0.00 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 2.8-2.8 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 7 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.4-2.6 5034=68, 1.8/1461=59...(12) HB3 MET 42 - H LEU 70 far 0 96 0 - 6.6-7.6 HB2 LYS 65 - H LEU 70 far 0 96 0 - 7.2-7.8 HB3 LYS 65 - H LEU 70 far 0 94 0 - 7.2-8.6 HB2 LYS 39 - H LEU 70 far 0 96 0 - 8.5-9.7 HB3 LYS 39 - H LEU 70 far 0 98 0 - 8.9-10.9 HB2 GLU 41 - H LEU 70 far 0 96 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1461 from nnoeabs.peaks (1.57, 7.72, 119.50 ppm; 3.76 A increased from 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + H LEU 70 OK 100 100 100 100 3.6-3.6 3.8=97, 1.8/1460=84...(11) HG LEU 68 - H LEU 70 far 0 65 0 - 6.0-6.5 HB VAL 78 - H LEU 70 far 0 84 0 - 8.3-9.0 Violated in 0 structures by 0.00 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 2.1-2.6 5048=74, 2.1/1464=59...(11) QE MET 42 - H LEU 70 far 0 65 0 - 4.2-5.2 Violated in 0 structures by 0.00 A. Peak 1463 from nnoeabs.peaks (0.91, 7.72, 119.50 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 3.1-3.3 2.1/1462=71, 2.1/5062=55...(12) QD2 LEU 70 - H LEU 70 far 0 100 0 - 3.6-3.9 QD2 LEU 38 - H LEU 70 far 0 70 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 1464 from nnoeabs.peaks (0.90, 7.72, 119.50 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 70 + H LEU 70 OK 100 100 100 100 3.1-3.3 2.1/1462=71, 2.1/5062=55...(12) ! QD2 LEU 70 - H LEU 70 far 0 100 0 - 3.6-3.9 QD2 LEU 38 - H LEU 70 far 0 81 0 - 5.5-6.0 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 1 assignment used, quality = 1.00: * HA ILE 71 + H ILE 71 OK 100 100 100 100 2.8-2.9 3.0=100 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 6 assignments used, quality = 0.99: * HB ILE 71 + H ILE 71 OK 99 100 100 99 2.4-2.6 5076=66, 2.1/5083=52...(8) HB2 LYS 73 - H ILE 71 far 0 100 0 - 5.4-6.4 QE MET 67 - H ILE 71 far 0 73 0 - 6.7-7.3 HB3 LYS 73 - H ILE 71 far 0 100 0 - 7.0-7.6 HB2 LEU 45 - H ILE 71 far 0 96 0 - 7.9-8.9 HG LEU 45 - H ILE 71 far 0 81 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 1468 from nnoeabs.peaks (0.82, 8.60, 116.79 ppm; 3.98 A increased from 3.75 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 71 + H ILE 71 OK 100 100 100 100 3.8-3.8 5083=100, 2.1/1467=83...(8) QD1 LEU 74 + H ILE 71 OK 24 100 25 94 3.9-4.7 9819/3.0=55, ~11347=30...(10) QD2 LEU 74 - H ILE 71 far 0 100 0 - 6.1-6.7 QD1 LEU 64 - H ILE 71 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 1469 from nnoeabs.peaks (1.69, 8.60, 116.79 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 71 + H ILE 71 OK 100 100 100 100 2.2-2.4 1.8/1470=68, 3.0/1467=61...(10) HG LEU 74 - H ILE 71 far 0 92 0 - 5.0-5.8 HD3 LYS 73 - H ILE 71 far 0 92 0 - 5.7-7.6 HD2 LYS 73 - H ILE 71 far 0 94 0 - 6.3-8.2 HB ILE 56 - H ILE 71 far 0 99 0 - 8.7-9.7 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 3.7-3.8 1.8/1469=80, 3.0/1467=67...(10) HG12 ILE 97 - H ILE 71 far 0 61 0 - 9.3-12.2 HG3 LYS 2 - H ILE 71 far 0 84 0 - 9.8-12.1 Violated in 0 structures by 0.00 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 3.1-3.3 5104=86, 2.1/1469=80...(10) QD1 LEU 4 - H ILE 71 far 0 87 0 - 5.4-5.9 QD1 ILE 56 - H ILE 71 far 0 97 0 - 8.2-9.0 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 2.8-2.8 2.9=100 HA MET 42 - H SER 72 far 0 65 0 - 9.3-10.5 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 = 0.95: HB3 SER 72 + H SER 72 OK 87 100 100 87 2.2-2.2 4.0=57, 8153/2122=43...(4) * HB2 SER 72 + H SER 72 OK 62 100 80 77 2.9-3.5 4.0=57, 4.6/1915=28, 1.8/5115=25 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 = 0.95: * HB3 SER 72 + H SER 72 OK 87 100 100 87 2.2-2.2 4.0=57, 8153/2122=43...(4) HB2 SER 72 + H SER 72 OK 62 100 80 77 2.9-3.5 4.0=57, 4.6/1915=28, 1.8/5115=25 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 2.7-2.9 3.0=100 HA GLN 100 - H LYS 73 far 0 61 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 1478 from nnoeabs.peaks (1.90, 7.72, 120.73 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LYS 73 + H LYS 73 OK 98 100 100 98 2.4-3.0 4.0=63, 2.9/1480=50...(11) HB3 LYS 73 - H LYS 73 far 5 100 5 - 3.5-3.6 HB ILE 71 - H LYS 73 far 0 100 0 - 5.1-5.5 HB2 LEU 45 - H LYS 73 far 0 94 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 1479 from nnoeabs.peaks (1.89, 7.72, 120.73 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.98: HB2 LYS 73 + H LYS 73 OK 98 100 100 98 2.4-3.0 4.0=63, 2.9/1480=50...(11) ! HB3 LYS 73 - H LYS 73 far 5 100 5 - 3.5-3.6 HB ILE 71 - H LYS 73 far 0 100 0 - 5.1-5.5 HB2 LEU 45 - H LYS 73 far 0 92 0 - 8.9-10.1 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 = 1.00: * HG2 LYS 73 + H LYS 73 OK 100 100 100 100 1.8-3.4 5153=69, 1.8/1481=63...(15) HG LEU 68 - H LYS 73 far 0 94 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 1481 from nnoeabs.peaks (1.48, 7.72, 120.73 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 1.7-3.3 1.8/1480=85, 5163=74...(16) HB2 LEU 74 - H LYS 73 far 0 87 0 - 4.3-5.3 HB3 LEU 45 - H LYS 73 far 0 96 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 1482 from nnoeabs.peaks (1.68, 7.72, 120.73 ppm; 4.63 A increased from 4.12 A): 3 out of 4 assignments used, quality = 1.00: * HD2 LYS 73 + H LYS 73 OK 100 100 100 100 2.3-4.5 3.0/1480=82, 5174/3.0=79...(15) HD3 LYS 73 + H LYS 73 OK 90 100 90 100 2.1-5.0 3.0/1480=82, 3.0/1481=75...(18) HG LEU 74 + H LYS 73 OK 36 61 65 91 4.3-4.9 458/452=84, 2.1/9814=26...(5) HG12 ILE 71 - H LYS 73 far 0 94 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 1483 from nnoeabs.peaks (1.68, 7.72, 120.73 ppm; 4.63 A increased from 4.12 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 73 + H LYS 73 OK 100 100 100 100 2.3-4.5 3.0/1480=82, 5184/3.0=79...(15) * HD3 LYS 73 + H LYS 73 OK 90 100 90 100 2.1-5.0 3.0/1480=82, 3.0/1481=75...(18) HG12 ILE 71 - H LYS 73 far 0 92 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 1484 from nnoeabs.peaks (2.98, 7.72, 120.73 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 73 + H LYS 73 OK 100 100 100 100 3.3-6.3 3.8/1480=96, 3.8/1481=93...(13) HE3 LYS 73 + H LYS 73 OK 99 99 100 100 3.4-5.6 5198/1481=99...(13) HE3 LYS 43 - H LYS 73 far 0 97 0 - 9.8-14.8 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 3 assignments used, quality = 1.00: * HE3 LYS 73 + H LYS 73 OK 100 100 100 100 3.4-5.6 5198/1481=97...(13) HE2 LYS 73 + H LYS 73 OK 99 99 100 100 3.3-6.3 3.8/1480=96, 3.8/1481=93...(13) HE3 LYS 43 - H LYS 73 far 0 100 0 - 9.8-14.8 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 100 100 100 100 2.1-2.7 3.8=83, 3.0/458=64...(10) HG3 LYS 73 + H LEU 74 OK 52 87 65 92 2.1-4.6 1.8/7671=45, 5128/3.6=38...(12) HG3 LYS 20 - H LYS 16 far 0 86 0 - 7.6-8.5 HG12 ILE 57 - H LYS 16 far 0 94 0 - 8.6-9.1 HG LEU 4 - H LEU 74 far 0 77 0 - 8.8-9.4 HG2 LYS 49 - H LEU 74 far 0 96 0 - 9.9-17.8 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 3.4-3.6 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): 1 out of 7 assignments used, quality = 0.95: * HG LEU 74 + H LEU 74 OK 95 100 100 95 1.9-3.2 2.1/5248=43, 5234=42...(10) HD2 LYS 16 - H LYS 16 far 6 60 10 - 1.9-4.5 HD3 LYS 16 - H LYS 16 far 4 71 5 - 3.0-4.3 HD2 LYS 73 - H LEU 74 far 0 61 0 - 3.5-5.6 HG12 ILE 71 - H LEU 74 far 0 92 0 - 5.8-6.2 HD3 LYS 20 - H LYS 16 far 0 64 0 - 6.7-10.7 HD2 LYS 20 - H LYS 16 far 0 68 0 - 7.4-10.6 Violated in 2 structures by 0.01 A. Peak 1491 from nnoeabs.peaks (0.82, 7.61, 117.57 ppm; 3.81 A increased from 3.05 A): 2 out of 5 assignments used, quality = 0.99: * QD1 LEU 74 + H LEU 74 OK 95 100 95 100 3.1-4.0 2.1/458=86, 5241=70...(11) QD2 LEU 74 + H LEU 74 OK 75 100 75 100 3.3-4.0 5248=87, 2.1/458=86...(8) QG2 ILE 71 - H LEU 74 far 0 100 0 - 4.3-4.8 QG1 VAL 29 - H LYS 16 far 0 64 0 - 6.7-7.3 QD1 LEU 114 - H LYS 16 far 0 81 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 1492 from nnoeabs.peaks (0.82, 7.61, 117.57 ppm; 3.81 A increased from 3.05 A): 2 out of 5 assignments used, quality = 0.99: QD1 LEU 74 + H LEU 74 OK 95 100 95 100 3.1-4.0 2.1/458=86, 5241=70...(11) * QD2 LEU 74 + H LEU 74 OK 75 100 75 100 3.3-4.0 5248=87, 2.1/458=86...(8) QG2 ILE 71 - H LEU 74 far 0 100 0 - 4.3-4.8 QG1 VAL 29 - H LYS 16 far 0 56 0 - 6.7-7.3 QD1 LEU 114 - H LYS 16 far 0 75 0 - 7.4-8.0 Violated in 0 structures by 0.00 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 2.3-2.5 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 2.9-3.0 3.0=100 HA3 GLY 101 - H GLY 75 far 0 100 0 - 9.2-10.5 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 2 assignments used, quality = 1.00: * HA TYR 76 + H TYR 76 OK 100 100 100 100 2.9-2.9 3.0=100 HA PHE 51 - H TYR 76 far 0 57 0 - 10.0-12.3 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 1 assignment used, quality = 0.97: * HB2 TYR 76 + H TYR 76 OK 97 100 100 97 2.4-2.7 4.0=71, 2.5/1503=62...(6) Violated in 0 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 3.6-3.8 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 3.2-3.4 4605=81, 2.5/1498=63...(8) 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 - 8.7-8.8 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 = 0.88: * HB2 LYS 77 + H LYS 77 OK 66 100 100 66 2.2-3.5 4.0=66 HB3 LYS 77 + H LYS 77 OK 66 100 100 66 2.2-2.9 4.0=66 HG LEU 127 - H LYS 77 far 0 77 0 - 6.8-8.4 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 = 0.88: * HB3 LYS 77 + H LYS 77 OK 66 100 100 66 2.2-2.9 4.0=66 HB2 LYS 77 + H LYS 77 OK 66 100 100 66 2.2-3.5 4.0=66 HG LEU 127 - H LYS 77 far 0 70 0 - 6.8-8.4 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 3.0-4.4 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 2 assignments used, quality = 0.99: * HB VAL 78 + H VAL 78 OK 99 100 100 99 2.4-2.6 3.7=90, 2.1/1517=68...(5) HG12 ILE 3 - H VAL 78 far 0 99 0 - 6.1-8.8 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 4 assignments used, quality = 1.00: * QG2 VAL 78 + H VAL 78 OK 100 100 100 100 2.8-3.2 5409=91, 2.1/1516=66...(6) QD2 LEU 6 - H VAL 78 far 0 92 0 - 7.5-8.3 QD1 LEU 6 - H VAL 78 far 0 92 0 - 8.5-8.9 QD2 LEU 45 - H VAL 78 far 0 100 0 - 9.7-10.7 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 3.6-3.8 4.0=97, 2.1/1517=81...(5) QD1 ILE 5 - H VAL 78 far 0 94 0 - 5.7-6.3 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 3.7-3.7 4.0=100 HG3 LYS 2 - H PHE 79 far 0 97 0 - 9.6-12.3 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 4 assignments used, quality = 1.00: * HB3 PHE 79 + H PHE 79 OK 100 100 100 100 2.6-2.7 4.0=100 HB2 GLU 103 - H PHE 79 far 0 87 0 - 5.6-7.0 HB3 MET 121 - H PHE 79 far 0 100 0 - 9.5-10.5 HG2 GLU 119 - H PHE 79 far 0 100 0 - 9.9-13.0 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 1.9-2.1 4636=100, 4634/491=53...(8) QE TYR 102 - H PHE 79 far 0 99 0 - 6.6-7.8 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 2.7-3.2 3.8=100 HG3 ARG 105 - H LEU 80 far 0 100 0 - 6.0-9.3 HD3 LYS 123 - H LEU 80 far 0 99 0 - 8.4-9.7 HB2 LEU 68 - H LEU 80 far 0 98 0 - 8.8-10.0 HB3 LEU 82 - H LEU 80 far 0 70 0 - 9.6-9.9 HB3 LYS 94 - H LEU 80 far 0 65 0 - 9.8-11.3 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 2.4-2.7 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 5 assignments used, quality = 1.00: * HG LEU 80 + H LEU 80 OK 100 100 100 100 4.4-4.5 2.1/5502=85, 5.3=84...(9) HB3 LEU 6 + H LEU 80 OK 66 70 100 95 4.3-4.9 ~10670=40, 10954/4.7=40...(9) HG12 ILE 7 - H LEU 80 far 0 65 0 - 6.8-7.4 HB2 LEU 4 - H LEU 80 far 0 99 0 - 8.6-9.0 HB3 LEU 4 - H LEU 80 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1532 from nnoeabs.peaks (0.78, 8.60, 123.96 ppm; 4.48 A increased from 4.22 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 80 + H LEU 80 OK 100 100 100 100 4.1-4.3 5502=97, 5472/3.0=82...(7) * QD2 LEU 80 + H LEU 80 OK 100 100 100 100 4.3-4.6 4.7=89, 2.1/5502=73...(8) QD1 LEU 81 - H LEU 80 far 0 84 0 - 5.6-6.3 QD1 LEU 82 - H LEU 80 far 0 100 0 - 6.8-7.4 QD1 ILE 7 - H LEU 80 far 0 94 0 - 6.9-7.3 QD2 LEU 64 - H LEU 80 far 0 97 0 - 7.7-8.4 QG1 VAL 107 - H LEU 80 far 0 84 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 1533 from nnoeabs.peaks (0.78, 8.60, 123.96 ppm; 4.48 A increased from 4.22 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 80 + H LEU 80 OK 100 100 100 100 4.1-4.3 5502=97, 5473/3.0=82...(7) QD2 LEU 80 + H LEU 80 OK 100 100 100 100 4.3-4.6 4.7=89, 2.1/5502=73...(8) QD1 LEU 81 - H LEU 80 far 0 81 0 - 5.6-6.3 QD1 LEU 82 - H LEU 80 far 0 100 0 - 6.8-7.4 QD1 ILE 7 - H LEU 80 far 0 96 0 - 6.9-7.3 QD2 LEU 64 - H LEU 80 far 0 96 0 - 7.7-8.4 QG1 VAL 107 - H LEU 80 far 0 87 0 - 8.6-9.3 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 - 8.2-8.3 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 2.6-2.7 3.8=96, 1.8/1537=76...(14) Violated in 0 structures by 0.00 A. Peak 1537 from nnoeabs.peaks (1.36, 9.06, 126.69 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 81 + H LEU 81 OK 100 100 100 100 3.2-3.4 3.8=92, 1.8/1536=72...(11) HG LEU 81 - H LEU 81 far 0 92 0 - 4.3-4.5 HG2 LYS 94 - H LEU 81 far 0 84 0 - 8.6-11.0 HG3 LYS 65 - H LEU 81 far 0 87 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1538 from nnoeabs.peaks (1.35, 9.06, 126.69 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.92: HB3 LEU 81 + H LEU 81 OK 92 92 100 100 3.2-3.4 3.8=92, 1.8/1536=72...(11) ! HG LEU 81 - H LEU 81 far 0 100 0 - 4.3-4.5 HG3 LYS 65 - H LEU 81 far 0 100 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1539 from nnoeabs.peaks (0.79, 9.06, 126.69 ppm; 3.18 A): 1 out of 5 assignments used, quality = 0.68: QD1 LEU 80 + H LEU 81 OK 68 81 100 84 1.9-2.1 7715=41, 3.9/504=38...(9) ! QD1 LEU 81 - H LEU 81 far 0 100 0 - 4.3-4.4 QD2 LEU 80 - H LEU 81 far 0 84 0 - 4.3-4.5 QD1 LEU 82 - H LEU 81 far 0 90 0 - 5.1-5.6 QD2 LEU 64 - H LEU 81 far 0 98 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 1540 from nnoeabs.peaks (0.71, 9.06, 126.69 ppm; 4.24 A): 1 out of 7 assignments used, quality = 0.80: QD1 LEU 6 + H LEU 81 OK 80 94 100 85 3.0-3.7 9067/504=50...(4) ! QD2 LEU 81 - H LEU 81 far 0 100 0 - 4.5-4.7 QG1 VAL 117 - H LEU 81 far 0 77 0 - 7.1-7.7 QG2 ILE 56 - H LEU 81 far 0 87 0 - 7.7-8.6 QG2 VAL 78 - H LEU 81 far 0 61 0 - 7.8-8.4 QG2 ILE 18 - H LEU 81 far 0 87 0 - 7.8-8.4 QD1 ILE 57 - H LEU 81 far 0 100 0 - 8.7-9.4 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): 1 out of 2 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 far 0 99 0 - 4.9-5.3 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 2.4-2.5 4.0=67, 1.8/1544=65...(10) HG LEU 90 - H LEU 82 far 0 65 0 - 6.7-7.2 HB ILE 116 - H LEU 82 far 0 94 0 - 6.8-7.2 HB3 LEU 64 - H LEU 82 far 0 96 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 1544 from nnoeabs.peaks (1.74, 8.86, 124.89 ppm; 3.80 A increased from 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 82 + H LEU 82 OK 100 100 100 100 3.6-3.7 4.0=85, 1.8/1543=81...(10) HG3 ARG 105 - H LEU 82 far 0 73 0 - 5.0-6.7 HB3 LYS 94 - H LEU 82 far 0 100 0 - 5.7-8.0 HB2 LEU 80 - H LEU 82 far 0 70 0 - 6.6-6.7 HB3 LEU 90 - H LEU 82 far 0 81 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 1545 from nnoeabs.peaks (1.60, 8.86, 124.89 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.96: * HG LEU 82 + H LEU 82 OK 96 100 100 96 2.9-3.1 3.0/1544=48, 5574/4.0=47...(8) HG12 ILE 116 - H LEU 82 far 0 81 0 - 6.3-8.5 Violated in 0 structures by 0.00 A. Peak 1546 from nnoeabs.peaks (0.82, 8.86, 124.89 ppm; 4.31 A increased from 3.83 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 82 + H LEU 82 OK 100 100 100 100 4.0-4.2 2.1/1545=90, 5579=87...(6) QD1 LEU 64 - H LEU 82 far 0 90 0 - 5.4-5.9 QG2 ILE 5 - H LEU 82 far 0 73 0 - 7.4-7.6 QG2 ILE 57 - H LEU 82 far 0 77 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1547 from nnoeabs.peaks (0.78, 8.86, 124.89 ppm; 3.19 A): 1 out of 9 assignments used, quality = 0.86: QD1 LEU 81 + H LEU 82 OK 86 90 100 96 2.6-2.8 7720=59, 2.1/514=47...(9) ! QD1 LEU 82 - H LEU 82 far 0 100 0 - 3.5-3.8 QD1 LEU 80 - H LEU 82 far 0 100 0 - 3.7-4.4 QG1 VAL 107 - H LEU 82 far 0 77 0 - 3.9-4.3 QD2 LEU 80 - H LEU 82 far 0 100 0 - 5.1-5.3 QD2 LEU 64 - H LEU 82 far 0 99 0 - 7.0-7.6 QD1 ILE 7 - H LEU 82 far 0 90 0 - 7.2-7.3 QD2 LEU 14 - H LEU 82 far 0 77 0 - 9.6-9.9 QD1 ILE 15 - H LEU 82 far 0 81 0 - 9.8-11.9 Violated in 0 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 - 6.1-6.2 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 2.7-2.8 4.0=74, 1.8/1551=72...(6) Violated in 0 structures by 0.00 A. Peak 1551 from nnoeabs.peaks (1.42, 8.44, 122.15 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.98: * HB3 GLN 83 + H GLN 83 OK 98 100 100 98 3.0-3.3 4.0=77, 1.8/1550=75...(5) QB ALA 113 - H GLN 83 far 0 92 0 - 5.6-6.1 HG3 LYS 106 - H GLN 83 far 0 65 0 - 7.9-8.3 HB3 LYS 61 - H GLN 83 far 0 87 0 - 8.3-11.3 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 4.5-4.6 3.0/1550=79, 3.0/1551=79...(5) HG3 GLU 112 - H GLN 83 far 0 100 0 - 9.8-11.9 HG2 GLU 112 - H GLN 83 far 0 100 0 - 9.8-11.7 Violated in 1 structures by 0.00 A. Peak 1553 from nnoeabs.peaks (2.12, 8.44, 122.15 ppm; 5.07 A increased from 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + H GLN 83 OK 100 100 100 100 4.8-5.0 5.0=100 HB VAL 107 - H GLN 83 far 0 100 0 - 6.8-7.1 Violated in 0 structures by 0.00 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 3.0-3.7 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 2.7-3.2 4.1=100 HE3 LYS 61 - H ASP 84 far 0 92 0 - 7.5-15.9 HB3 ASP 110 - H ASP 84 far 0 70 0 - 9.5-11.5 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 2.9-2.9 3.0=100 HB THR 9 - H GLN 85 far 0 84 0 - 8.7-9.3 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 2.3-3.6 5653=90, 1.8/1563=81...(10) 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 2.2-2.8 5661=97, 1.8/1562=62...(11) HB2 GLU 89 - H GLN 85 far 0 100 0 - 6.6-8.7 HB3 GLU 89 - H GLN 85 far 0 100 0 - 8.0-8.7 HB3 GLU 87 - H GLN 85 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 1564 from nnoeabs.peaks (2.41, 8.62, 120.20 ppm; 4.51 A increased from 3.61 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 85 + H GLN 85 OK 100 100 100 100 2.4-4.5 3.0/1563=84, 3.0/1562=79...(12) * HG2 GLN 85 + H GLN 85 OK 95 100 95 100 2.2-4.6 3.0/1563=84, 3.0/1562=79...(12) Violated in 0 structures by 0.00 A. Peak 1565 from nnoeabs.peaks (2.40, 8.62, 120.20 ppm; 4.51 A increased from 3.61 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 85 + H GLN 85 OK 100 100 100 100 2.4-4.5 3.0/1563=84, 3.0/1562=79...(12) HG2 GLN 85 + H GLN 85 OK 95 100 95 100 2.2-4.6 3.0/1563=84, 3.0/1562=79...(12) Violated in 0 structures by 0.00 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 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1570 from nnoeabs.peaks (2.93, 8.69, 120.51 ppm; 3.76 A increased from 3.35 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASP 86 + H ASP 86 OK 99 100 100 99 2.6-3.7 5689=90, 1.8/1571=86, 546/4.7=32 Violated in 0 structures by 0.00 A. Peak 1571 from nnoeabs.peaks (2.57, 8.69, 120.51 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.84: * HB3 ASP 86 + H ASP 86 OK 84 100 100 84 2.3-2.9 5693=60, 1.8/1570=56 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 1 assignment used, quality = 1.00: * HA GLU 87 + H GLU 87 OK 100 100 100 100 2.8-2.9 3.0=100 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 1 assignment used, quality = 0.99: * HB2 GLU 87 + H GLU 87 OK 99 100 100 99 2.8-2.8 5703=72, 1.8/5709=69...(9) Violated in 0 structures by 0.00 A. Peak 1575 from nnoeabs.peaks (2.04, 8.64, 123.60 ppm; 3.60 A increased from 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 87 + H GLU 87 OK 100 100 100 100 3.6-3.6 5709=100, 1.8/1574=76...(10) HB3 GLN 85 - H GLU 87 far 0 100 0 - 6.0-7.3 HB2 GLU 89 - H GLU 87 far 0 100 0 - 6.0-7.9 HB3 GLU 89 - H GLU 87 far 0 100 0 - 6.8-7.8 HB2 GLU 92 - H GLU 87 far 0 84 0 - 9.0-9.5 Violated in 0 structures by 0.00 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 99 100 100 99 1.9-2.0 5708/1574=58...(10) * HG2 GLU 87 + H GLU 87 OK 99 100 100 99 2.5-2.7 5722/3.0=61...(9) HG3 GLU 89 - H GLU 87 far 0 73 0 - 5.0-6.7 HG3 GLU 91 - H GLU 87 far 0 96 0 - 8.1-8.6 Violated in 0 structures by 0.00 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 99 100 100 99 1.9-2.0 5708/1574=58...(10) HG2 GLU 87 + H GLU 87 OK 99 100 100 99 2.5-2.7 5722/3.0=61...(9) HG3 GLU 89 - H GLU 87 far 0 73 0 - 5.0-6.7 HG3 GLU 91 - H GLU 87 far 0 96 0 - 8.1-8.6 Violated in 0 structures by 0.00 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 2.8-2.8 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 2.2-2.2 1.8/1581=75, 5733=68...(6) Violated in 0 structures by 0.00 A. Peak 1581 from nnoeabs.peaks (2.90, 8.53, 118.84 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.92: * HB3 ASN 88 + H ASN 88 OK 92 100 100 92 2.9-3.0 1.8/1580=65, 5739=54...(4) HE3 LYS 94 - H ASN 88 far 0 87 0 - 8.6-10.3 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 4.3-4.9 906=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; 3.67 A increased from 3.09 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 89 + H GLU 89 OK 100 100 100 100 2.5-3.6 4.0=75, 5762/5769=62...(13) HB3 GLU 89 + H GLU 89 OK 99 100 100 99 2.5-3.6 4.0=75, 3.0/5769=57...(13) HB2 GLU 92 - H GLU 89 far 0 84 0 - 5.0-5.6 HB3 GLU 87 - H GLU 89 far 0 100 0 - 6.1-6.3 HB3 GLN 85 - H GLU 89 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 1587 from nnoeabs.peaks (2.04, 8.22, 120.95 ppm; 3.67 A increased from 3.09 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + H GLU 89 OK 100 100 100 100 2.5-3.6 4.0=75, 5762/5769=62...(13) * HB3 GLU 89 + H GLU 89 OK 99 100 100 99 2.5-3.6 4.0=75, 3.0/5769=57...(13) HB2 GLU 92 - H GLU 89 far 0 84 0 - 5.0-5.6 HB3 GLU 87 - H GLU 89 far 0 100 0 - 6.1-6.3 HB3 GLN 85 - H GLU 89 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 1588 from nnoeabs.peaks (2.26, 8.22, 120.95 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 89 + H GLU 89 OK 100 100 100 100 2.2-3.5 1.8/5769=87, 5763=58...(12) HG3 GLU 92 - H GLU 89 far 0 100 0 - 5.0-5.9 Violated in 0 structures by 0.00 A. Peak 1589 from nnoeabs.peaks (2.31, 8.22, 120.95 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 89 + H GLU 89 OK 100 100 100 100 2.1-3.6 5769=100, 1.8/1588=79...(12) HG2 GLU 92 - H GLU 89 far 0 99 0 - 5.6-7.6 HG3 GLU 87 - H GLU 89 far 0 73 0 - 6.3-6.5 HG2 GLU 87 - H GLU 89 far 0 73 0 - 6.6-6.8 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 2.7-2.9 3.0=100 HB THR 108 - H LEU 90 far 0 84 0 - 9.4-10.5 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 2.2-2.3 5782=88, 568/566=56...(11) 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 2.7-2.9 4.0=100 HB3 LYS 94 - H LEU 90 far 0 84 0 - 6.0-7.1 HB3 LYS 106 - H LEU 90 far 0 96 0 - 7.0-8.1 HB3 LEU 82 - H LEU 90 far 0 81 0 - 7.2-7.7 HB2 LYS 106 - H LEU 90 far 0 98 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 1594 from nnoeabs.peaks (1.64, 8.05, 119.58 ppm; 4.41 A increased from 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 90 + H LEU 90 OK 100 100 100 100 4.2-4.3 2.1/5803=78, 2.1/5810=76...(9) HB2 LEU 82 - H LEU 90 far 0 65 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 1595 from nnoeabs.peaks (0.90, 8.05, 119.58 ppm; 4.37 A increased from 4.11 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 90 + H LEU 90 OK 100 100 100 100 4.1-4.2 5803=100, 5804/3.0=82...(10) QG2 VAL 104 - H LEU 90 far 0 61 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 1596 from nnoeabs.peaks (0.88, 8.05, 119.58 ppm; 4.37 A increased from 4.11 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 90 + H LEU 90 OK 100 100 100 100 4.2-4.3 5810=100, 2.1/5803=78...(12) QG2 VAL 104 - H LEU 90 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 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 2.8-2.8 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 2.9-3.0 5823=82, 1.8/1600=65...(12) HB3 GLU 92 - H GLU 91 far 0 65 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 1600 from nnoeabs.peaks (2.07, 7.94, 119.03 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 91 + H GLU 91 OK 100 100 100 100 2.2-2.2 5829=83, 1.8/1599=73...(11) HB2 LYS 94 - H GLU 91 far 0 100 0 - 4.3-5.4 HB2 GLU 92 - H GLU 91 far 0 73 0 - 4.5-4.9 Violated in 0 structures by 0.00 A. Peak 1601 from nnoeabs.peaks (2.42, 7.94, 119.03 ppm; 4.63 A increased from 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 91 + H GLU 91 OK 100 100 100 100 4.5-4.6 3.0/1599=90, 5821/2.9=88...(11) HG2 GLN 85 - H GLU 91 far 0 92 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1602 from nnoeabs.peaks (2.29, 7.94, 119.03 ppm; 4.22 A increased from 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 91 + H GLU 91 OK 100 100 100 100 4.1-4.2 5834/1600=83, 5841=81...(12) HG2 GLU 87 - H GLU 91 far 0 96 0 - 5.8-6.2 HG3 GLU 87 - H GLU 91 far 0 96 0 - 6.4-6.7 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 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 1605 from nnoeabs.peaks (2.05, 8.09, 118.67 ppm; 3.07 A): 1 out of 7 assignments used, quality = 0.99: * HB2 GLU 92 + H GLU 92 OK 99 100 100 99 2.2-2.6 5853=45, 5858/1608=43...(20) HB3 GLU 91 - H GLU 92 far 0 73 0 - 3.4-3.5 HB2 LYS 94 - H GLU 92 far 0 70 0 - 4.7-6.1 HB3 GLU 89 - H GLU 92 far 0 84 0 - 5.3-6.2 HB2 GLU 89 - H GLU 92 far 0 84 0 - 5.6-6.1 HB3 GLU 87 - H GLU 92 far 0 84 0 - 6.8-7.1 HB3 GLU 98 - H GLU 92 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1606 from nnoeabs.peaks (2.11, 8.09, 118.67 ppm; 3.01 A): 1 out of 3 assignments used, quality = 0.57: HB2 GLU 91 + H GLU 92 OK 57 65 100 87 2.3-2.4 1.8/7765=56, 7764=36...(6) ! HB3 GLU 92 - H GLU 92 far 0 100 0 - 3.5-3.6 HB2 GLU 87 - H GLU 92 far 0 84 0 - 6.9-7.4 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 3.3-3.9 5865=100, 1.8/1608=79...(19) HG3 GLU 89 - H GLU 92 far 0 99 0 - 5.9-7.0 Violated in 1 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 2.2-3.1 5871=84, 5858/1605=72...(21) HG2 GLU 89 - H GLU 92 far 0 100 0 - 5.9-7.5 Violated in 0 structures by 0.00 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 1 assignment used, quality = 1.00: * HA PHE 93 + H PHE 93 OK 100 100 100 100 2.8-2.9 3.0=100 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 = 0.95: * HB2 PHE 93 + H PHE 93 OK 95 100 100 95 2.4-2.7 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 = 0.98: * HB3 PHE 93 + H PHE 93 OK 98 100 100 98 2.5-2.7 1.8/1611=75, 3.6=71...(7) HE2 LYS 94 - H PHE 93 far 0 70 0 - 6.1-8.9 Violated in 0 structures by 0.00 A. Peak 1616 from nnoeabs.peaks (7.22, 8.10, 120.12 ppm; 4.42 A increased from 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 93 + H PHE 93 OK 100 100 100 100 4.1-4.2 2.4/1611=94, 4.5=93...(6) Violated in 0 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 2.8-2.8 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 2.2-2.9 1.8/1620=69, 3.9=58...(15) HB2 GLU 92 - H LYS 94 far 0 70 0 - 4.6-5.3 HB3 GLU 91 - H LYS 94 far 0 100 0 - 5.3-5.6 HB3 GLU 98 - H LYS 94 far 0 70 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 1620 from nnoeabs.peaks (1.74, 8.61, 118.94 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 94 + H LYS 94 OK 99 100 100 99 2.2-2.9 1.8/1619=71, 5945=63...(13) HB3 LEU 90 - H LYS 94 far 0 84 0 - 5.9-6.1 HB3 LEU 82 - H LYS 94 far 0 100 0 - 6.1-6.7 HB2 LYS 106 - H LYS 94 far 0 61 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 1621 from nnoeabs.peaks (1.37, 8.61, 118.94 ppm; 4.67 A increased from 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + H LYS 94 OK 100 100 100 100 4.1-4.6 4.9=89, 3.0/1619=89...(11) Violated in 0 structures by 0.00 A. Peak 1622 from nnoeabs.peaks (1.32, 8.61, 118.94 ppm; 4.59 A increased from 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + H LYS 94 OK 100 100 100 100 4.2-4.5 3.0/1619=87, 3.0/1620=87...(11) Violated in 0 structures by 0.00 A. Peak 1623 from nnoeabs.peaks (1.54, 8.61, 118.94 ppm; 5.94 A increased from 4.75 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 94 + H LYS 94 OK 100 100 100 100 4.1-5.9 3.6/1619=98, 3.6/1620=98...(11) HD3 LYS 94 + H LYS 94 OK 100 100 100 100 4.8-5.8 3.6/1619=98, 3.6/1620=98...(11) HG2 LYS 65 - H LYS 94 far 0 87 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 1624 from nnoeabs.peaks (1.54, 8.61, 118.94 ppm; 5.94 A increased from 4.75 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 94 + H LYS 94 OK 100 100 100 100 4.1-5.9 3.6/1619=98, 3.6/1620=98...(11) * HD3 LYS 94 + H LYS 94 OK 100 100 100 100 4.8-5.8 3.6/1619=98, 3.6/1620=98...(11) HG2 LYS 65 - H LYS 94 far 0 87 0 - 9.4-11.9 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 - 7.8-8.5 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 2.3-2.7 6023=55, 1.8/1630=51...(12) HB2 LYS 96 - H ARG 95 far 0 99 0 - 4.7-6.2 Violated in 0 structures by 0.00 A. Peak 1630 from nnoeabs.peaks (1.97, 8.16, 117.19 ppm; 3.67 A increased from 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 95 + H ARG 95 OK 100 100 100 100 3.6-3.6 6031=98, 1.8/1629=88...(11) HB3 LYS 96 - H ARG 95 far 0 100 0 - 4.5-5.5 Violated in 0 structures by 0.00 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 1.9-2.6 1.8/1632=55, 6039=47...(16) Violated in 0 structures by 0.00 A. Peak 1632 from nnoeabs.peaks (1.68, 8.16, 117.19 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + H ARG 95 OK 100 100 100 100 2.5-3.6 1.8/1631=85, 3.0/1629=65...(14) HD2 LYS 96 - H ARG 95 far 0 99 0 - 4.2-7.8 HD3 LYS 96 - H ARG 95 far 0 97 0 - 5.0-8.0 Violated in 1 structures by 0.00 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 3.0-4.7 2.9/1631=96, 2.9/1632=91...(17) HD3 ARG 95 + H ARG 95 OK 100 100 100 100 2.6-4.7 2.9/1631=96, 2.9/1632=91...(17) 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 2.6-4.7 2.9/1631=96, 2.9/1632=91...(17) HD2 ARG 95 + H ARG 95 OK 100 100 100 100 3.0-4.7 2.9/1631=96, 2.9/1632=91...(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 2.7-2.8 2.9=100 HA GLU 91 - H LYS 96 far 0 96 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 1637 from nnoeabs.peaks (1.90, 7.79, 119.58 ppm; 3.60 A increased from 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 96 + H LYS 96 OK 100 100 100 100 2.2-3.5 6081=100, 1.8/6091=84...(19) HB2 ARG 95 + H LYS 96 OK 73 99 75 97 2.5-4.1 1629/1938=57...(9) 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 2.1-3.0 6091=100, 1.8/6081=75...(24) HB3 ARG 95 + H LYS 96 OK 29 100 30 97 3.7-4.0 7790=61, 1.8/7789=50...(8) 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 2 assignments used, quality = 1.00: * HG2 LYS 96 + H LYS 96 OK 100 100 100 100 3.9-4.4 6101=100, 2.9/6091=91...(22) HG LEU 80 - H LYS 96 far 0 100 0 - 9.1-9.6 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 3.8-4.1 6111=90, 2.9/6091=80...(22) HD3 LYS 106 - H LYS 96 far 0 96 0 - 8.0-10.9 HD2 LYS 106 - H LYS 96 far 0 94 0 - 8.8-11.5 Violated in 1 structures by 0.00 A. Peak 1641 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.83 A increased from 4.55 A): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 95 + H LYS 96 OK 99 99 100 100 2.1-4.9 7792=98, 1.8/607=92...(9) * HD2 LYS 96 + H LYS 96 OK 70 100 70 100 2.0-5.0 6077/2.9=90, 3.4/6091=86...(26) HD3 LYS 96 + H LYS 96 OK 60 100 60 100 3.1-5.4 3.4/6091=86, 3.4/6081=81...(28) Violated in 0 structures by 0.00 A. Peak 1642 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.83 A increased from 4.55 A): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 95 + H LYS 96 OK 97 97 100 100 2.1-4.9 7792=96, 1.8/607=92...(9) HD2 LYS 96 + H LYS 96 OK 70 100 70 100 2.0-5.0 6078/2.9=90, 3.4/6091=86...(26) * HD3 LYS 96 + H LYS 96 OK 60 100 60 100 3.1-5.4 3.4/6091=86, 3.4/6081=81...(28) 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): 1 out of 4 assignments used, quality = 1.00: * HA ILE 97 + H ILE 97 OK 100 100 100 100 2.9-2.9 3.0=100 HB3 SER 35 - H LYS 39 far 0 77 0 - 4.6-6.2 HB2 SER 35 - H LYS 39 far 0 51 0 - 5.4-6.3 HA MET 67 - H LYS 39 far 0 80 0 - 6.8-7.4 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 1 assignment used, quality = 0.99: * HB ILE 97 + H ILE 97 OK 99 100 100 99 2.3-2.5 6168=71, 2.9/1650=53...(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 2 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 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 1649 from nnoeabs.peaks (1.00, 7.83, 118.55 ppm; 4.10 A increased from 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + H ILE 97 OK 100 100 100 100 2.3-4.1 6182=91, 1.8/1650=89...(8) Violated in 0 structures by 0.00 A. Peak 1650 from nnoeabs.peaks (0.93, 7.83, 118.55 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.99: * HG13 ILE 97 + H ILE 97 OK 99 100 100 99 2.4-3.5 6189=68, 1.8/1649=56...(8) QD1 LEU 70 - H LYS 39 far 0 51 0 - 4.4-5.0 QG1 VAL 104 - H ILE 97 far 0 99 0 - 4.6-5.3 Violated in 1 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 3.2-3.7 6196=100, 2.1/1650=88...(10) 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 2.8-2.8 3.0=100 HA SER 99 - H GLU 98 far 0 97 0 - 5.2-5.3 HA PHE 93 - H GLU 98 far 0 99 0 - 6.4-6.6 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 2.2-2.2 6209=90, 1.8/6215=71...(12) Violated in 0 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 2.8-3.0 6215=100, 1.8/1654=79...(10) HB3 GLN 100 - H GLU 98 far 0 99 0 - 5.2-7.0 HB2 LYS 94 - H GLU 98 far 0 70 0 - 5.2-6.0 HB2 GLU 92 - H GLU 98 far 0 100 0 - 9.6-10.3 HB3 GLU 91 - H GLU 98 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1656 from nnoeabs.peaks (2.38, 8.67, 121.98 ppm; 4.54 A increased from 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + H GLU 98 OK 100 100 100 100 4.1-4.5 6221=83, 3.0/1654=82...(10) Violated in 0 structures by 0.00 A. Peak 1657 from nnoeabs.peaks (2.44, 8.67, 121.98 ppm; 4.42 A increased from 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + H GLU 98 OK 100 100 100 100 4.1-4.4 6227=82, 3.0/1654=79...(11) HG2 GLN 100 - H GLU 98 far 0 99 0 - 4.9-7.2 Violated in 1 structures by 0.00 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): 1 out of 3 assignments used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLU 98 - H SER 99 far 0 97 0 - 3.4-3.5 HA PHE 93 - H SER 99 far 0 100 0 - 8.1-8.5 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 = 0.90: * HB2 SER 99 + H SER 99 OK 74 100 90 82 2.3-3.6 4.0=62, 1.8/6241=30...(4) HB3 SER 99 + H SER 99 OK 61 100 75 82 2.3-3.6 4.0=62, 1.8/6241=30...(4) HA3 GLY 101 - H SER 99 far 0 84 0 - 7.2-7.4 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 = 0.90: HB2 SER 99 + H SER 99 OK 74 100 90 82 2.3-3.6 4.0=62, 1.8/6241=30...(4) * HB3 SER 99 + H SER 99 OK 61 100 75 82 2.3-3.6 4.0=62, 1.8/6241=30...(4) HA3 GLY 101 - H SER 99 far 0 84 0 - 7.2-7.4 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 1 assignment used, quality = 1.00: * HA GLN 100 + H GLN 100 OK 100 100 100 100 2.8-2.9 3.0=100 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 2 assignments used, quality = 1.00: * HB2 GLN 100 + H GLN 100 OK 100 100 100 100 2.2-3.6 4.0=100 HB2 GLU 69 - H GLN 100 far 0 94 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 1665 from nnoeabs.peaks (2.05, 7.62, 119.30 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 100 + H GLN 100 OK 100 100 100 100 2.4-3.6 4.0=91, 7820/638=51...(9) HB3 GLU 98 - H GLN 100 far 0 99 0 - 4.7-5.1 HB VAL 117 - H LYS 115 far 0 67 0 - 5.1-5.6 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 2.1-4.5 6269=100, 1.8/6277=80...(10) HG3 GLU 98 - H GLN 100 far 0 99 0 - 5.7-7.1 HG3 GLU 119 - H LYS 115 far 0 37 0 - 7.1-8.7 HG3 GLU 69 - H GLN 100 far 0 99 0 - 7.7-12.2 Violated in 0 structures by 0.00 A. Peak 1667 from nnoeabs.peaks (2.35, 7.62, 119.30 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 100 + H GLN 100 OK 100 100 100 100 2.1-4.6 6277=100, 1.8/6269=85...(9) HG3 GLU 112 + H LYS 115 OK 21 50 65 66 4.3-6.7 4.1/8244=60, 7878/2188=9...(4) HG2 GLU 112 - H LYS 115 far 7 47 15 - 4.4-6.5 HG2 GLN 83 - H LYS 115 far 0 44 0 - 9.8-10.7 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 2.6-2.7 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 3 assignments used, quality = 1.00: * HA3 GLY 101 + H GLY 101 OK 100 100 100 100 2.9-2.9 2.9=100 HB3 SER 99 - H GLY 101 far 0 84 0 - 5.7-6.5 HB2 SER 99 - H GLY 101 far 0 84 0 - 5.7-6.7 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 2.9-2.9 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 2.7-3.0 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 3.6-4.0 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 2.3-3.5 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 2 assignments used, quality = 0.99: * HB2 GLU 103 + H GLU 103 OK 99 100 100 99 2.2-2.5 4.0=94, 1.8/1684=75...(5) HB3 PHE 79 - H GLU 103 far 0 87 0 - 5.7-6.2 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 2.8-3.5 4.0=93, 1.8/1683=75, 660/4.7=34 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 2.9-4.7 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 3.0-4.5 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 = 0.97: * HB VAL 104 + H VAL 104 OK 97 100 100 97 2.4-2.6 2.1/1691=68, 6374=67...(5) Violated in 0 structures by 0.00 A. Peak 1690 from nnoeabs.peaks (0.93, 8.65, 124.34 ppm; 3.84 A increased from 3.23 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 104 + H VAL 104 OK 100 100 100 100 3.7-3.8 6379=100, 2.1/1691=81...(5) HG13 ILE 97 - H VAL 104 far 0 99 0 - 8.6-9.4 Violated in 1 structures by 0.00 A. Peak 1691 from nnoeabs.peaks (0.88, 8.65, 124.34 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.96: * QG2 VAL 104 + H VAL 104 OK 96 100 100 96 2.5-3.0 2.1/1689=63, 3.9=63...(5) QD1 LEU 90 - H VAL 104 far 0 61 0 - 7.6-8.1 QD2 LEU 90 - H VAL 104 far 0 100 0 - 8.7-9.4 Violated in 0 structures by 0.00 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): 1 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 far 0 99 0 - 5.7-6.3 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 1 assignment used, quality = 1.00: * HB2 ARG 105 + H ARG 105 OK 100 100 100 100 3.1-3.7 4.1=88, 1.8/1696=79...(7) Violated in 0 structures by 0.00 A. Peak 1695 from nnoeabs.peaks (1.82, 8.71, 124.86 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ARG 105 + H ARG 105 OK 99 100 100 99 2.4-2.6 4.1=79, 1.8/1694=70...(6) HG2 ARG 105 - H ARG 105 far 0 90 0 - 4.2-4.8 HB ILE 97 - H ARG 105 far 0 96 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 1696 from nnoeabs.peaks (1.80, 8.71, 124.86 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.88: HB3 ARG 105 + H ARG 105 OK 88 90 100 98 2.4-2.6 4.1=77, 1.8/1694=69...(6) ! HG2 ARG 105 - H ARG 105 far 0 100 0 - 4.2-4.8 HB ILE 97 - H ARG 105 far 0 100 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 1697 from nnoeabs.peaks (1.75, 8.71, 124.86 ppm; 4.47 A increased from 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 105 + H ARG 105 OK 100 100 100 100 3.6-4.4 3.0/1696=77, 4.9=74...(9) HB2 LEU 80 - H ARG 105 far 0 100 0 - 5.6-6.1 HB3 LEU 82 - H ARG 105 far 0 73 0 - 6.0-6.8 HB3 LYS 94 - H ARG 105 far 0 70 0 - 6.1-8.1 Violated in 0 structures by 0.00 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): 1 out of 4 assignments used, quality = 0.95: * HB2 LYS 106 + H LYS 106 OK 95 100 100 95 2.3-2.6 4.0=64, 2.9/1705=47...(9) HB3 LYS 106 - H LYS 106 far 5 100 5 - 3.5-3.7 HB3 LYS 94 - H LYS 106 far 0 61 0 - 6.4-7.9 HB3 LEU 90 - H LYS 106 far 0 98 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1703 from nnoeabs.peaks (1.71, 8.81, 121.50 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.94: HB2 LYS 106 + H LYS 106 OK 94 100 100 95 2.3-2.6 4.0=64, 2.9/1705=47...(9) ! HB3 LYS 106 - H LYS 106 far 5 100 5 - 3.5-3.7 HB3 LEU 90 - H LYS 106 far 0 96 0 - 8.2-8.9 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 3 assignments used, quality = 1.00: * HG2 LYS 106 + H LYS 106 OK 100 100 100 100 3.6-4.2 1.8/1705=84, 2.9/1702=74...(10) HG LEU 80 - H LYS 106 far 0 61 0 - 7.5-8.4 HG12 ILE 7 - H LYS 106 far 0 100 0 - 9.7-10.3 Violated in 2 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 = 0.99: * HG3 LYS 106 + H LYS 106 OK 99 100 100 99 2.5-3.3 1.8/1704=66, 2.9/1702=66...(10) QB ALA 113 - H LYS 106 far 0 96 0 - 8.0-8.9 HB3 GLN 83 - H LYS 106 far 0 65 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 1706 from nnoeabs.peaks (1.56, 8.81, 121.50 ppm; 5.24 A increased from 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HD2 LYS 106 + H LYS 106 OK 100 100 100 100 3.6-5.2 3.0/1705=90, 3.6/1702=88...(9) HD3 LYS 106 + H LYS 106 OK 85 100 85 100 3.6-5.6 3.0/1705=90, 3.6/1702=88...(9) HG2 LYS 115 - H LYS 106 far 0 100 0 - 9.4-11.9 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 3.7-5.5 3.6/1705=92, 3.6/1704=88...(9) HE3 LYS 106 + H LYS 106 OK 70 100 70 100 4.7-6.2 3.6/1705=92, 3.6/1704=88...(8) 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: HE2 LYS 106 + H LYS 106 OK 100 100 100 100 3.7-5.5 3.6/1705=92, 3.6/1704=88...(9) * HE3 LYS 106 + H LYS 106 OK 70 100 70 100 4.7-6.2 3.6/1705=92, 3.6/1704=88...(8) 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 2.9-2.9 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): 1 out of 2 assignments used, quality = 0.99: * HB VAL 107 + H VAL 107 OK 99 100 100 99 3.3-3.6 4.0=85, 2.1/1714=79...(6) HG3 GLN 83 - H VAL 107 far 0 100 0 - 4.5-5.6 Violated in 0 structures by 0.00 A. Peak 1713 from nnoeabs.peaks (0.87, 8.55, 118.79 ppm; 3.08 A): 1 out of 6 assignments used, quality = 0.62: QD2 LEU 90 + H VAL 107 OK 62 81 100 77 2.8-3.1 10282/677=32, 11578=21...(8) ! QG2 VAL 107 - H VAL 107 far 0 100 0 - 3.9-4.0 QD1 LEU 14 - H VAL 107 far 0 94 0 - 7.8-8.4 QG2 VAL 117 - H VAL 107 far 0 100 0 - 8.2-8.9 QG2 THR 9 - H VAL 107 far 0 99 0 - 8.3-8.7 QG2 VAL 104 - H VAL 107 far 0 73 0 - 8.3-8.7 Violated in 3 structures by 0.00 A. Peak 1714 from nnoeabs.peaks (0.76, 8.55, 118.79 ppm; 3.30 A): 1 out of 7 assignments used, quality = 0.95: * QG1 VAL 107 + H VAL 107 OK 95 100 100 95 2.1-2.5 6550=65, 2.1/1712=54...(7) QD1 LEU 82 - H VAL 107 far 0 77 0 - 5.9-6.3 QG2 ILE 7 - H VAL 107 far 0 61 0 - 6.9-7.5 QD1 LEU 80 - H VAL 107 far 0 87 0 - 7.7-8.5 QD2 LEU 14 - H VAL 107 far 0 100 0 - 8.0-8.4 QD2 LEU 80 - H VAL 107 far 0 84 0 - 8.7-9.2 QD1 ILE 7 - H VAL 107 far 0 99 0 - 9.2-9.8 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 1 assignment used, quality = 1.00: * HB THR 108 + H THR 108 OK 100 100 100 100 3.7-3.8 6559=100, 2.1/1718=75...(4) 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 2.4-3.0 6563=90, 2.1/6559=65...(5) 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 2 assignments used, quality = 1.00: * HA ASP 109 + H ASP 109 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 9 - H ASP 109 far 0 100 0 - 9.8-10.2 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 = 0.94: * HB2 ASP 109 + H ASP 109 OK 94 100 100 94 2.2-2.7 6571=70, 1.8/1722=61...(8) Violated in 0 structures by 0.00 A. Peak 1722 from nnoeabs.peaks (2.73, 8.04, 122.57 ppm; 3.65 A increased from 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 109 + H ASP 109 OK 100 100 100 100 2.8-3.6 6575=91, 1.8/1721=82...(9) HB3 ASN 11 - H ASP 109 far 0 77 0 - 9.1-10.7 Violated in 0 structures by 0.00 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 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1725 from nnoeabs.peaks (2.42, 8.70, 122.85 ppm; 3.80 A increased from 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 110 + H ASP 110 OK 100 100 100 100 2.4-3.6 4.0=88, 1.8/1726=86...(6) HG2 GLN 85 - H ASP 110 far 0 94 0 - 7.3-11.4 HG3 GLN 85 - H ASP 110 far 0 90 0 - 7.5-11.6 Violated in 0 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 = 0.93: * HB3 ASP 110 + H ASP 110 OK 93 100 100 93 2.2-2.8 6587=60, 1.8/1725=57...(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 3 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 - 5.0-5.3 HA LEU 14 - H GLU 111 far 0 100 0 - 7.3-8.0 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 2.2-2.7 6597=89, 1.8/1730=61...(9) HB3 GLU 112 - H GLU 111 far 0 73 0 - 4.5-5.3 HB2 GLU 112 - H GLU 111 far 0 77 0 - 4.6-6.2 HG3 GLN 83 - H GLU 111 far 0 65 0 - 6.9-7.7 HB VAL 107 - H GLU 111 far 0 70 0 - 7.9-8.7 HG3 GLU 21 - H GLU 111 far 0 99 0 - 9.1-11.6 HG2 GLU 21 - H GLU 111 far 0 97 0 - 10.0-10.9 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 3.5-3.6 6603=97, 1.8/1729=82...(7) Violated in 2 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 = 1.00: * HG2 GLU 111 + H GLU 111 OK 100 100 100 100 1.9-3.1 6609=86, 3.0/1729=63...(8) HG3 GLU 111 + H GLU 111 OK 35 65 55 99 3.1-4.1 1.8/6609=68, 3.0/1729=63...(8) Violated in 0 structures by 0.00 A. Peak 1732 from nnoeabs.peaks (2.27, 8.21, 119.14 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.96: * HG3 GLU 111 + H GLU 111 OK 89 100 90 99 3.1-4.1 1.8/6609=75, 3.0/1729=69...(8) HG2 GLU 111 + H GLU 111 OK 65 65 100 99 1.9-3.1 3.0/1729=69, 3.0/1730=63...(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): 1 out of 3 assignments used, quality = 1.00: * HA GLU 112 + H GLU 112 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 111 - H GLU 112 far 0 94 0 - 3.4-3.5 HA LEU 14 - H GLU 112 far 0 87 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 1735 from nnoeabs.peaks (2.08, 8.23, 121.40 ppm; 2.79 A): 2 out of 4 assignments used, quality = 0.98: HB3 GLU 112 + H GLU 112 OK 92 100 100 92 2.2-2.9 711/709=38, 4.0=33...(16) * HB2 GLU 112 + H GLU 112 OK 76 100 85 89 2.4-3.6 6623/3.0=43, 4.0=33...(13) HB2 GLU 111 - H GLU 112 poor 15 77 20 - 2.7-4.0 HG2 GLU 119 - H GLU 112 far 0 96 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 1736 from nnoeabs.peaks (2.08, 8.23, 121.40 ppm; 2.79 A): 2 out of 5 assignments used, quality = 0.98: * HB3 GLU 112 + H GLU 112 OK 92 100 100 92 2.2-2.9 712/709=38, 4.0=33...(16) HB2 GLU 112 + H GLU 112 OK 76 100 85 89 2.4-3.6 6624/3.0=43, 4.0=33...(13) HB2 GLU 111 - H GLU 112 poor 15 73 20 - 2.7-4.0 HB2 GLU 13 - H GLU 112 far 0 61 0 - 9.5-10.7 HG2 GLU 119 - H GLU 112 far 0 97 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 1737 from nnoeabs.peaks (2.34, 8.23, 121.40 ppm; 4.51 A increased from 3.60 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 112 + H GLU 112 OK 100 100 100 100 3.4-4.5 4.9=77, 6640/3.0=68...(15) * HG2 GLU 112 + H GLU 112 OK 80 100 80 100 1.9-4.6 4.9=77, 3.0/1735=50...(15) HG2 GLN 83 - H GLU 112 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 1738 from nnoeabs.peaks (2.34, 8.23, 121.40 ppm; 4.51 A increased from 3.60 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 112 + H GLU 112 OK 100 100 100 100 3.4-4.5 4.9=77, 6646/3.0=68...(15) HG2 GLU 112 + H GLU 112 OK 80 100 80 100 1.9-4.6 4.9=77, 3.0/1735=50...(15) HG2 GLN 83 - H GLU 112 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 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): 1 out of 4 assignments used, quality = 1.00: * HA ALA 113 + H ALA 113 OK 100 100 100 100 2.7-2.8 3.0=100 HA LYS 115 - H VAL 117 far 0 97 0 - 3.8-4.5 HA ALA 113 - H VAL 117 far 0 97 0 - 4.2-4.7 HA LYS 115 - H ALA 113 far 0 100 0 - 6.8-7.3 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 7 assignments used, quality = 0.96: * QB ALA 113 + H ALA 113 OK 96 100 100 96 2.0-2.0 2.9=83, 717/715=35...(9) QB ALA 113 - H VAL 117 far 0 97 0 - 4.9-5.3 HB3 LEU 114 - H VAL 117 far 0 78 0 - 5.2-6.0 HB3 GLN 83 - H ALA 113 far 0 92 0 - 5.7-6.3 HB3 LEU 114 - H ALA 113 far 0 84 0 - 6.3-6.5 HB3 GLN 83 - H VAL 117 far 0 87 0 - 8.6-9.0 HG3 LYS 17 - H ALA 113 far 0 61 0 - 9.6-10.1 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 4 assignments used, quality = 0.99: * HB2 LEU 114 + H LEU 114 OK 99 100 100 99 2.7-2.8 6664=68, 1.8/6671=53...(9) HG2 ARG 118 - H LEU 114 far 0 98 0 - 6.2-8.3 HG2 LYS 17 - H LEU 114 far 0 57 0 - 8.3-8.9 HG3 ARG 105 - H LEU 114 far 0 70 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 1745 from nnoeabs.peaks (1.40, 7.74, 116.90 ppm; 2.92 A): 1 out of 3 assignments used, quality = 0.75: QB ALA 113 + H LEU 114 OK 75 84 100 89 2.7-2.9 3.7=49, 2.9/715=40...(9) ! HB3 LEU 114 - H LEU 114 far 0 100 0 - 3.6-3.6 HG LEU 14 - H LEU 114 far 0 61 0 - 5.5-6.1 Violated in 3 structures by 0.00 A. Peak 1746 from nnoeabs.peaks (1.65, 7.74, 116.90 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 114 + H LEU 114 OK 100 100 100 100 1.9-2.1 6678=61, 2.1/1748=52...(13) HD3 LYS 115 - H LEU 114 far 0 96 0 - 4.6-8.3 HD2 LYS 115 - H LEU 114 far 0 99 0 - 4.6-7.3 Violated in 0 structures by 0.00 A. Peak 1747 from nnoeabs.peaks (0.81, 7.74, 116.90 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 114 + H LEU 114 OK 100 100 100 100 3.5-3.7 2.1/1746=82, 2.1/1748=71...(11) QD1 LEU 81 - H LEU 114 far 0 73 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 1748 from nnoeabs.peaks (0.67, 7.74, 116.90 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 114 + H LEU 114 OK 100 100 100 100 2.5-2.9 2.1/1746=80, 6692=71...(11) QD1 ILE 116 - H LEU 114 far 0 92 0 - 5.4-6.5 QD1 LEU 55 - H LEU 114 far 0 81 0 - 8.8-9.6 Violated in 0 structures by 0.00 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): 1 out of 3 assignments used, quality = 1.00: * HA LYS 115 + H LYS 115 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 113 - H LYS 115 far 0 100 0 - 3.9-4.7 HA LYS 65 - H GLN 100 far 0 63 0 - 8.9-9.5 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 6 assignments used, quality = 0.90: * HB2 LYS 115 + H LYS 115 OK 84 100 90 94 2.2-3.1 6709=60, 3.0/1753=27...(14) HB3 LYS 115 + H LYS 115 OK 36 98 40 92 2.2-3.6 1.8/6709=43, 4.0=38...(14) HB VAL 104 - H GLN 100 far 0 37 0 - 7.3-7.9 HB3 LYS 17 - H LYS 115 far 0 98 0 - 8.4-8.9 HB2 LEU 81 - H LYS 115 far 0 94 0 - 9.1-9.8 HB3 LYS 65 - H GLN 100 far 0 64 0 - 9.3-11.1 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 6 assignments used, quality = 0.89: HB2 LYS 115 + H LYS 115 OK 83 98 90 94 2.2-3.1 6709=58, 3.0/1753=27...(14) * HB3 LYS 115 + H LYS 115 OK 37 100 40 92 2.2-3.6 1.8/6709=43, 4.0=38...(14) HB VAL 104 - H GLN 100 far 0 52 0 - 7.3-7.9 HB3 LYS 17 - H LYS 115 far 0 87 0 - 8.4-8.9 HB2 LEU 81 - H LYS 115 far 0 77 0 - 9.1-9.8 HB3 LYS 65 - H GLN 100 far 0 67 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 1753 from nnoeabs.peaks (1.56, 7.62, 119.07 ppm; 4.25 A increased from 3.40 A): 1 out of 3 assignments used, quality = 0.95: * HG2 LYS 115 + H LYS 115 OK 95 100 95 100 1.9-4.5 6729=75, 6703/3.0=71...(18) HG3 LYS 96 - H GLN 100 far 0 58 0 - 7.0-8.9 HG2 LYS 65 - H GLN 100 far 0 52 0 - 9.3-11.4 Violated in 3 structures by 0.01 A. Peak 1754 from nnoeabs.peaks (1.30, 7.62, 119.07 ppm; 4.62 A increased from 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 115 + H LYS 115 OK 100 100 100 100 2.7-4.5 6739=98, 1.8/1753=87...(20) HB3 LEU 80 - H GLN 100 far 0 52 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 1755 from nnoeabs.peaks (1.66, 7.62, 119.07 ppm; 4.06 A increased from 3.61 A): 1 out of 5 assignments used, quality = 0.99: HG LEU 114 + H LYS 115 OK 99 99 100 100 3.8-4.0 7884=97, 1746/718=68...(7) ! HD2 LYS 115 - H LYS 115 far 5 100 5 - 3.4-5.2 HD3 LYS 115 - H LYS 115 far 5 100 5 - 2.8-6.0 HG3 ARG 95 - H GLN 100 far 0 34 0 - 8.0-10.0 HD2 LYS 65 - H GLN 100 far 0 67 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 1756 from nnoeabs.peaks (1.66, 7.62, 119.07 ppm; 4.06 A increased from 3.61 A): 1 out of 5 assignments used, quality = 0.96: HG LEU 114 + H LYS 115 OK 96 96 100 100 3.8-4.0 7884=93, 3.0/720=67...(7) ! HD3 LYS 115 - H LYS 115 far 5 100 5 - 2.8-6.0 HD2 LYS 115 - H LYS 115 far 5 100 5 - 3.4-5.2 HG3 ARG 95 - H GLN 100 far 0 42 0 - 8.0-10.0 HD2 LYS 65 - H GLN 100 far 0 64 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 1757 from nnoeabs.peaks (2.91, 7.62, 119.07 ppm; 6.20 A increased from 5.72 A): 2 out of 6 assignments used, quality = 0.86: HE3 LYS 115 + H LYS 115 OK 65 100 65 100 4.2-7.1 3.7/1753=92, 3.7/1754=88...(17) * HE2 LYS 115 + H LYS 115 OK 60 100 60 100 4.5-7.1 3.7/1753=92, 3.7/1754=88...(17) HE3 LYS 17 - H LYS 115 far 0 94 0 - 7.8-8.7 HE2 LYS 65 - H GLN 100 far 0 62 0 - 8.0-12.8 HE3 LYS 65 - H GLN 100 far 0 62 0 - 8.2-12.0 HE3 LYS 94 - H GLN 100 far 0 60 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 1758 from nnoeabs.peaks (2.91, 7.62, 119.07 ppm; 6.20 A increased from 5.72 A): 2 out of 6 assignments used, quality = 0.86: * HE3 LYS 115 + H LYS 115 OK 65 100 65 100 4.2-7.1 3.7/1753=92, 3.7/1754=88...(17) HE2 LYS 115 + H LYS 115 OK 60 100 60 100 4.5-7.1 3.7/1753=92, 3.7/1754=88...(17) HE3 LYS 17 - H LYS 115 far 0 94 0 - 7.8-8.7 HE2 LYS 65 - H GLN 100 far 0 62 0 - 8.0-12.8 HE3 LYS 65 - H GLN 100 far 0 62 0 - 8.2-12.0 HE3 LYS 94 - H GLN 100 far 0 60 0 - 9.7-11.5 Violated in 0 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 2.7-2.9 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 2.5-2.8 6796=54, 6812/1763=45...(11) 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 3.7-3.8 4.0=99 Violated in 0 structures by 0.00 A. Peak 1763 from nnoeabs.peaks (1.58, 8.00, 120.61 ppm; 3.71 A increased from 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + H ILE 116 OK 100 100 100 100 1.8-3.5 6810=84, 6812/1761=75...(8) Violated in 0 structures by 0.00 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 1.9-3.6 6817=74, 1.8/1763=73...(10) Violated in 0 structures by 0.00 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 2.2-3.5 2.1/1764=68, 2.1/1763=68...(16) QD2 LEU 114 - H ILE 116 far 0 92 0 - 5.4-6.1 QD1 LEU 55 - H ILE 116 far 0 99 0 - 8.9-9.7 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 - 8.7-9.1 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 = 0.94: * HB VAL 117 + H VAL 117 OK 94 100 100 94 2.5-2.6 6836=56, 2.1/6841=54...(5) HB VAL 117 - H ALA 113 far 0 97 0 - 7.6-8.0 HB2 GLU 13 - H ALA 113 far 0 64 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 1769 from nnoeabs.peaks (0.86, 8.12, 120.23 ppm; 2.83 A): 2 out of 11 assignments used, quality = 1.00: * QG2 VAL 117 + H VAL 117 OK 98 100 100 98 2.0-2.4 6841=74, 2.1/1768=57...(9) QG2 VAL 107 + H ALA 113 OK 89 96 100 92 2.2-2.5 10898/2.9=41...(18) QD1 LEU 14 - H ALA 113 far 0 94 0 - 3.2-3.7 QG2 VAL 107 - H VAL 117 far 0 100 0 - 5.7-6.5 QG2 VAL 117 - H ALA 113 far 0 97 0 - 5.7-6.1 QD1 LEU 14 - H VAL 117 far 0 98 0 - 6.2-6.9 QG2 THR 9 - H ALA 113 far 0 97 0 - 7.1-7.8 QG2 VAL 22 - H VAL 117 far 0 90 0 - 7.7-8.6 QG2 THR 9 - H VAL 117 far 0 100 0 - 8.2-8.7 QD2 LEU 90 - H ALA 113 far 0 64 0 - 8.5-9.2 HG13 ILE 5 - H VAL 117 far 0 61 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1770 from nnoeabs.peaks (0.72, 8.12, 120.23 ppm; 3.64 A increased from 3.24 A): 1 out of 11 assignments used, quality = 0.67: QD2 LEU 81 + H VAL 117 OK 67 77 100 87 3.0-3.5 11636/737=37...(7) ! QG1 VAL 117 - H VAL 117 far 0 100 0 - 3.8-3.8 QD2 LEU 81 - H ALA 113 far 0 72 0 - 4.6-5.4 QG2 ILE 18 - H VAL 117 far 0 100 0 - 4.9-5.6 HG13 ILE 18 - H VAL 117 far 0 96 0 - 5.0-5.6 HG13 ILE 18 - H ALA 113 far 0 91 0 - 6.2-7.0 QG2 ILE 18 - H ALA 113 far 0 96 0 - 7.3-8.0 QD2 LEU 55 - H VAL 117 far 0 77 0 - 7.9-8.6 QG1 VAL 117 - H ALA 113 far 0 97 0 - 8.1-8.5 QD1 ILE 57 - H VAL 117 far 0 81 0 - 8.9-9.7 QD1 LEU 6 - H VAL 117 far 0 98 0 - 9.9-10.5 Violated in 0 structures by 0.00 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 2.8-2.9 2.9=100 HA LEU 64 + H LYS 65 OK 47 48 100 100 3.6-3.6 3.6=100 HA LEU 38 - H LYS 65 far 0 37 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 1773 from nnoeabs.peaks (1.80, 8.03, 118.42 ppm; 3.77 A increased from 3.35 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 118 + H ARG 118 OK 100 100 100 100 3.5-3.6 1.8/1774=83, 4.1=80...(10) HB2 LEU 64 + H LYS 65 OK 39 57 70 99 3.8-4.0 4.2=70, 3.6/1907=38...(12) HG12 ILE 5 - H ARG 118 far 0 96 0 - 7.4-8.1 HB ILE 97 - H LYS 65 far 0 59 0 - 8.0-8.7 HG2 ARG 105 - H ARG 118 far 0 98 0 - 8.3-9.5 HB3 ARG 105 - H ARG 118 far 0 70 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 1774 from nnoeabs.peaks (1.87, 8.03, 118.42 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.99: * HB3 ARG 118 + H ARG 118 OK 99 100 100 99 2.2-2.6 4.1=58, 3.0/1775=53...(10) HB2 LEU 63 - H LYS 65 far 0 68 0 - 5.2-5.8 QE MET 67 - H LYS 65 far 0 59 0 - 5.6-6.3 QE MET 42 - H LYS 65 far 0 65 0 - 8.4-8.9 HB2 ARG 105 - H ARG 118 far 0 81 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 1775 from nnoeabs.peaks (1.73, 8.03, 118.42 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.99: * HG2 ARG 118 + H ARG 118 OK 99 100 100 99 2.3-3.0 3.0/1774=52, 6875=47...(11) HB2 LEU 68 - H LYS 65 far 0 37 0 - 5.1-5.8 HB2 LEU 114 - H ARG 118 far 0 98 0 - 5.6-6.2 HD3 LYS 123 - H ARG 118 far 0 61 0 - 8.2-10.6 HB3 LEU 82 - H LYS 65 far 0 62 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1776 from nnoeabs.peaks (1.48, 8.03, 118.42 ppm; 4.28 A increased from 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + H ARG 118 OK 100 100 100 100 2.8-4.1 1.8/1775=95, 4.5=88...(9) Violated in 0 structures by 0.00 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 3.6-4.9 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 2 assignments used, quality = 1.00: * HD3 ARG 118 + H ARG 118 OK 100 100 100 100 3.8-4.9 6899=100, 3.0/1775=98...(9) HB2 ASN 24 - H ARG 118 far 0 99 0 - 9.5-12.0 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 2.8-2.9 3.0=100 HA PHE 120 - H GLU 119 far 0 99 0 - 5.1-5.4 HA LYS 123 - H GLU 119 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 1781 from nnoeabs.peaks (2.12, 7.92, 122.42 ppm; 2.86 A): 1 out of 6 assignments used, quality = 0.98: * HB2 GLU 119 + H GLU 119 OK 98 100 100 98 2.3-2.7 6913=67, 6927/1783=45...(16) HB3 GLU 119 - H GLU 119 far 0 100 0 - 3.5-3.6 HB2 GLU 21 - H GLU 119 far 0 100 0 - 7.3-8.5 HG3 GLU 21 - H GLU 119 far 0 84 0 - 8.3-9.9 HB VAL 107 - H GLU 119 far 0 100 0 - 9.6-10.0 HG2 GLU 21 - H GLU 119 far 0 90 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1782 from nnoeabs.peaks (2.11, 7.92, 122.42 ppm; 2.86 A): 1 out of 6 assignments used, quality = 0.98: HB2 GLU 119 + H GLU 119 OK 98 100 100 98 2.3-2.7 6919=67, 6928/1783=45...(16) ! HB3 GLU 119 - H GLU 119 far 0 100 0 - 3.5-3.6 HB2 GLU 21 - H GLU 119 far 0 100 0 - 7.3-8.5 HG3 GLU 21 - H GLU 119 far 0 92 0 - 8.3-9.9 HB VAL 107 - H GLU 119 far 0 100 0 - 9.6-10.0 HG2 GLU 21 - H GLU 119 far 0 96 0 - 9.8-11.2 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 5 assignments used, quality = 0.99: * HG2 GLU 119 + H GLU 119 OK 99 100 100 99 2.0-3.0 6927/1781=65...(14) HB3 MET 121 - H GLU 119 far 0 100 0 - 4.8-5.3 HB3 PHE 79 - H GLU 119 far 0 100 0 - 8.4-9.1 HB2 GLU 112 - H GLU 119 far 0 96 0 - 8.9-11.1 HB3 GLU 112 - H GLU 119 far 0 97 0 - 9.7-10.7 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 3.1-3.8 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 2.8-2.8 3.0=100 HA GLU 119 + H PHE 120 OK 99 99 100 100 3.6-3.6 3.6=100 HA LYS 123 - H PHE 120 far 0 100 0 - 7.3-7.6 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 2.4-2.7 4.0=85, 2.4/1792=57...(8) 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 3 assignments used, quality = 1.00: * HB3 PHE 120 + H PHE 120 OK 100 100 100 100 3.6-3.6 4.0=100 HG3 GLU 112 - H PHE 120 far 0 99 0 - 9.5-12.9 HG2 GLU 112 - H PHE 120 far 0 98 0 - 9.5-13.2 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 3.0-3.2 4700=96, 4558/3.0=78...(12) QD TYR 27 - H PHE 120 far 0 100 0 - 8.8-9.5 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 2.8-2.9 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 3.5-3.6 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 2.2-2.4 4.0=94, 1.8/1795=81...(10) HG2 GLU 119 - H MET 121 far 0 100 0 - 4.6-6.6 HB3 PHE 79 - H MET 121 far 0 100 0 - 5.9-7.0 HB2 GLU 103 - H MET 121 far 0 92 0 - 9.0-11.2 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 = 0.85: * HG2 MET 121 + H MET 121 OK 85 100 85 100 3.3-4.2 1.8/1798=80, 3.0/1795=64...(11) HB3 LYS 123 - H MET 121 far 0 100 0 - 5.0-7.0 HB2 LYS 123 - H MET 121 far 0 70 0 - 5.2-7.1 HB2 LEU 81 - H MET 121 far 0 100 0 - 8.9-9.7 HB3 LYS 115 - H MET 121 far 0 70 0 - 9.1-10.2 HB2 LYS 115 - H MET 121 far 0 90 0 - 9.3-10.4 HB2 LEU 127 - H MET 121 far 0 73 0 - 9.7-11.0 Violated in 3 structures by 0.04 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 2.4-3.8 1.8/1797=69, 7013=59...(10) HE2 LYS 53 - H MET 121 far 0 100 0 - 8.6-12.1 Violated in 1 structures by 0.00 A. Peak 1799 from nnoeabs.peaks (1.83, 8.32, 116.60 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * QE MET 121 + H MET 121 OK 100 100 100 100 3.3-3.9 7020=85, 3.4/1798=67...(11) HD2 LYS 123 - H MET 121 far 0 84 0 - 5.4-7.3 HB2 LYS 77 - H MET 121 far 0 84 0 - 9.6-12.5 HB3 ARG 105 - H MET 121 far 0 81 0 - 9.7-10.2 Violated in 0 structures by 0.00 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 - 6.8-7.1 HA VAL 22 - H GLN 122 far 0 100 0 - 8.2-9.3 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 3 assignments used, quality = 0.97: * HB2 GLN 122 + H GLN 122 OK 92 100 100 92 2.2-2.7 4.0=42, 8290/8289=32...(9) HB3 GLN 122 + H GLN 122 OK 67 100 75 89 2.3-3.6 4.0=42, 1.8/7043=30...(9) HG2 GLU 103 - H GLN 122 far 0 77 0 - 9.4-12.8 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 3 assignments used, quality = 0.97: HB2 GLN 122 + H GLN 122 OK 92 100 100 92 2.2-2.7 4.0=42, 8290/8289=32...(9) * HB3 GLN 122 + H GLN 122 OK 67 100 75 89 2.3-3.6 4.0=42, 1.8/7043=30...(9) HG2 GLU 103 - H GLN 122 far 0 77 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 1804 from nnoeabs.peaks (2.41, 8.05, 120.56 ppm; 4.21 A increased from 3.96 A): 1 out of 1 assignment used, quality = 0.95: * HG2 GLN 122 + H GLN 122 OK 95 100 95 100 2.3-4.3 7051=87, 7031/3.0=71...(8) Violated in 1 structures by 0.01 A. Peak 1805 from nnoeabs.peaks (2.52, 8.05, 120.56 ppm; 4.49 A increased from 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + H GLN 122 OK 100 100 100 100 3.4-4.6 7059=86, 1.8/1804=85...(9) HG3 GLN 25 - H GLN 122 far 0 100 0 - 5.3-8.5 Violated in 3 structures by 0.01 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 2.8-2.9 3.0=100 HA PHE 120 + H LYS 123 OK 99 100 100 99 3.3-3.8 8296=57, 8299/1811=57...(8) HA GLU 119 + H LYS 123 OK 76 100 80 94 4.0-5.1 8289/1965=64...(9) HB2 SER 126 - H LYS 123 far 0 100 0 - 5.9-7.3 HB3 SER 126 - H LYS 123 far 0 99 0 - 6.5-8.5 Violated in 0 structures by 0.00 A. Peak 1810 from nnoeabs.peaks (1.93, 8.40, 121.61 ppm; 3.72 A increased from 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 123 + H LYS 123 OK 100 100 100 100 2.3-3.6 3.7=99, 7069/3.0=74...(11) HG2 MET 121 - H LYS 123 far 0 70 0 - 6.1-7.1 HB2 LEU 127 - H LYS 123 far 0 100 0 - 7.7-8.9 Violated in 0 structures by 0.00 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 2.3-3.6 3.7=84, 7093/1814=44...(15) HG2 MET 121 - H LYS 123 far 0 100 0 - 6.1-7.1 HB2 LEU 127 - H LYS 123 far 0 61 0 - 7.7-8.9 HB2 GLU 128 - H LYS 123 far 0 84 0 - 9.1-10.1 Violated in 2 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 2.5-4.0 7097=90, 1.8/7107=80...(14) HG12 ILE 3 - H LYS 123 far 0 81 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 1813 from nnoeabs.peaks (1.70, 8.40, 121.61 ppm; 4.25 A increased from 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + H LYS 123 OK 100 100 100 100 2.7-4.0 7107=100, 2.9/1811=75...(15) Violated in 0 structures by 0.00 A. Peak 1814 from nnoeabs.peaks (1.84, 8.40, 121.61 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.80: * HD2 LYS 123 + H LYS 123 OK 80 100 80 100 3.3-4.7 7093/1811=88...(9) HG LEU 127 - H LYS 123 far 0 77 0 - 6.0-7.1 QE MET 121 - H LYS 123 far 0 84 0 - 6.0-6.8 HB2 LYS 77 - H LYS 123 far 0 100 0 - 8.9-11.3 HB3 LYS 77 - H LYS 123 far 0 100 0 - 9.2-10.4 Violated in 4 structures by 0.04 A. Peak 1815 from nnoeabs.peaks (1.75, 8.40, 121.61 ppm; 4.78 A increased from 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 123 + H LYS 123 OK 100 100 100 100 3.4-4.8 1.8/1814=86...(8) HG2 ARG 118 - H LYS 123 far 0 61 0 - 7.2-9.7 Violated in 0 structures by 0.00 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): 1 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 far 0 94 0 - 4.5-4.8 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 2.8-2.9 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 2.8-2.9 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): 2 out of 5 assignments used, quality = 0.89: * HB2 SER 126 + H SER 126 OK 87 100 100 87 2.3-2.7 7173=55, 7949/800=45...(7) HB3 SER 126 + H SER 126 OK 20 97 25 84 2.5-3.6 1.8/7173=45, 4.0=41...(5) HA LYS 123 - H SER 126 far 0 100 0 - 3.4-3.9 HA PHE 120 - H SER 126 far 0 100 0 - 7.7-8.4 HA GLU 119 - H SER 126 far 0 99 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 1827 from nnoeabs.peaks (4.03, 7.86, 116.08 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.87: HB2 SER 126 + H SER 126 OK 83 97 100 86 2.3-2.7 7177=53, 7950/800=45...(7) * HB3 SER 126 + H SER 126 OK 21 100 25 84 2.5-3.6 1.8/7173=45, 4.0=41...(5) HA LYS 123 - H SER 126 far 0 99 0 - 3.4-3.9 HA PHE 120 - H SER 126 far 0 96 0 - 7.7-8.4 HA GLU 119 - H SER 126 far 0 100 0 - 9.0-9.9 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 2.7-2.8 1.8/1831=58, 7188=58...(9) HB3 LYS 123 - H LEU 127 far 0 61 0 - 5.2-6.9 HB2 LYS 123 - H LEU 127 far 0 100 0 - 5.5-6.7 HG2 MET 121 - H LEU 127 far 0 73 0 - 9.5-11.0 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 3.6-3.6 1.8/1830=84, 7195=79...(9) HD3 LYS 77 - H LEU 127 far 0 92 0 - 7.1-8.7 HD2 LYS 77 - H LEU 127 far 0 90 0 - 8.4-9.4 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 1.9-2.1 7202=66, 3.0/1830=55...(9) HB3 LYS 77 - H LEU 127 far 0 70 0 - 6.4-7.5 HB2 LYS 77 - H LEU 127 far 0 77 0 - 6.9-8.2 HD2 LYS 123 - H LEU 127 far 0 77 0 - 8.0-9.0 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 2.5-3.1 4.2=100 HG3 LYS 53 - H LEU 127 far 0 99 0 - 8.5-11.0 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 = 0.91: * HB2 GLU 128 + H GLU 128 OK 91 100 100 91 2.2-2.8 7229=51, 1.8/1838=51...(11) HB3 LYS 123 - H GLU 128 far 0 84 0 - 7.4-8.8 HG2 MET 121 - H GLU 128 far 0 73 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 1838 from nnoeabs.peaks (1.95, 8.08, 119.78 ppm; 3.63 A increased from 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 128 + H GLU 128 OK 100 100 100 100 2.6-3.6 7235=92, 1.8/1837=88...(9) Violated in 0 structures by 0.00 A. Peak 1839 from nnoeabs.peaks (2.01, 8.08, 119.78 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.56: * HG2 GLU 128 + H GLU 128 OK 38 100 40 96 1.9-4.6 3.0/1837=59, 3.0/1838=49...(10) HG3 GLU 128 + H GLU 128 OK 29 100 30 96 2.4-4.6 3.0/1837=59, 3.0/1838=49...(10) HB2 MET 1 - H GLU 128 far 0 73 0 - 6.2-11.6 Violated in 9 structures by 0.25 A. Peak 1840 from nnoeabs.peaks (2.01, 8.08, 119.78 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.56: HG2 GLU 128 + H GLU 128 OK 38 100 40 96 1.9-4.6 3.0/1837=59, 3.0/1838=49...(10) * HG3 GLU 128 + H GLU 128 OK 29 100 30 96 2.4-4.6 3.0/1837=59, 3.0/1838=49...(10) HB2 MET 1 - H GLU 128 far 0 73 0 - 6.2-11.6 Violated in 9 structures by 0.25 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 4.3-4.4 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 4.2-4.3 4.6=100 H LYS 65 - H ASN 8 far 0 98 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 1858 from nnoeabs.peaks (8.44, 8.04, 118.49 ppm; 4.56 A increased from 4.29 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 10 + H THR 9 OK 100 100 100 100 4.4-4.4 4.6=95, 43/3.0=88...(5) H GLN 62 - H LYS 65 far 0 74 0 - 4.8-5.1 H GLN 83 - H THR 9 far 0 100 0 - 5.2-5.5 H VAL 32 - H THR 9 far 0 100 0 - 8.7-9.4 H GLN 62 - H THR 9 far 0 98 0 - 9.9-10.7 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 2.2-2.3 46=100, 9132/9128=38...(6) 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 4.3-4.4 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 = 0.97: * H GLU 13 + H ASP 12 OK 97 100 100 97 2.6-2.8 58=88, 61/1080=53...(6) 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 2.5-2.7 62=100, 65/1085=43...(11) H LYS 17 - H GLU 13 far 0 98 0 - 5.8-6.1 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 = 1.00: * H ILE 15 + H LEU 14 OK 100 100 100 100 2.5-2.7 68=100, 71/1091=41...(8) H GLU 112 - H LEU 14 far 0 99 0 - 9.4-10.6 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 2.6-3.0 75=79, 77/1097=57...(9) Violated in 0 structures by 0.00 A. Peak 1865 from nnoeabs.peaks (7.58, 7.60, 117.60 ppm; 2.85 A increased from 2.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + H LYS 16 OK 100 100 100 100 2.4-2.8 82=100, 7368/1106=30...(10) H LEU 14 - H LYS 16 far 0 98 0 - 4.4-5.0 Violated in 0 structures by 0.00 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 2.7-2.9 92=100, 95/1115=47...(8) 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, 7384/1124=44...(7) 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=52...(10) 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 = 0.95: * H GLU 21 + H LYS 20 OK 95 100 100 95 2.4-2.6 119=68, 122/1142=52...(6) HE ARG 118 - H LYS 20 far 0 100 0 - 8.8-14.4 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 4.6-4.6 4.6=100 H ILE 5 - H GLN 28 far 0 90 0 - 7.0-7.8 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 4.0-4.2 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 4.3-4.4 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 2.0-2.1 187=100, 9322/183=38...(9) H LEU 64 - H ASN 33 far 0 92 0 - 9.5-10.2 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 4.4-4.4 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 2.7-2.9 197=80, 199/1220=49...(9) H MET 67 - H SER 35 far 0 98 0 - 9.6-10.1 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 = 0.99: * H GLU 37 + H ASP 36 OK 99 100 100 99 2.7-2.9 201=96, 203/1224=40...(10) 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 2.4-2.6 205=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 1 assignment used, quality = 1.00: * H LYS 39 + H LEU 38 OK 100 100 100 100 2.7-2.9 211=88, 213/1234=51...(15) Violated in 0 structures by 0.00 A. Peak 1884 from nnoeabs.peaks (7.78, 7.83, 118.40 ppm; 2.68 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 40 + H LYS 39 OK 99 100 100 99 2.4-2.7 218=97, 220/3568=40...(8) H LYS 96 - H ILE 97 far 9 86 10 - 2.7-2.9 Violated in 4 structures by 0.00 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 2.5-2.9 228=100, 230/1251=63...(10) 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 2.4-2.8 238=90, 4.7/1262=36...(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 2.6-2.8 244=100, 247/3.9=43...(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 = 0.92: * H LYS 44 + H LYS 43 OK 92 100 100 92 2.5-2.8 251=77, 2052/244=22...(7) 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 = 0.99: * H LEU 45 + H LYS 44 OK 99 100 100 99 2.6-2.8 261=96, 265/1286=31...(10) 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 2.6-2.9 271=95, 275/1296=43...(11) HD21 ASN 50 - H LEU 45 far 0 99 0 - 5.9-13.4 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 3 assignments used, quality = 0.97: * H GLU 47 + H ALA 46 OK 92 100 100 92 2.2-2.6 278=74, 280/1301=44...(5) H LEU 70 + H GLU 69 OK 64 70 100 92 2.8-3.0 428=60, 431/4.0=26...(10) H LYS 73 - H GLU 69 far 0 61 0 - 6.4-6.8 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 2.2-2.5 281=100, 284/1305=21...(4) 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 2.3-4.6 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 4.3-4.6 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; 4.70 A increased from 4.43 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H LEU 55 OK 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 1899 from nnoeabs.peaks (8.54, 9.18, 125.98 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + H ILE 56 OK 100 100 100 100 4.4-4.5 4.6=100 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 4.1-4.4 4.7=100 H ASN 59 - H ILE 57 far 0 73 0 - 6.9-7.3 H ILE 54 - H ILE 57 far 0 98 0 - 9.9-10.4 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 1 assignment used, quality = 1.00: * H ASP 60 + H ASN 59 OK 100 100 100 100 1.9-2.4 356=100, 9629/3.6=34...(8) 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 2.4-2.8 366=93, 368/3.7=41...(6) H ASN 10 - H LYS 61 far 0 98 0 - 9.1-10.0 H GLN 83 - H LYS 61 far 0 100 0 - 9.2-10.3 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 = 0.96: * H LEU 63 + H GLN 62 OK 96 100 100 96 2.6-2.8 376=81, 378/4.0=21...(11) 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 3 assignments used, quality = 1.00: * H LEU 64 + H LEU 63 OK 100 100 100 100 2.4-2.9 384=100, 386/1410=42...(9) H ASP 34 - H LEU 63 far 0 92 0 - 7.5-7.9 H GLU 69 - H LEU 63 far 0 100 0 - 9.7-10.0 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 2.6-2.9 391=100, 394/1418=64...(15) H THR 9 - H LEU 64 far 0 98 0 - 8.4-9.0 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 2.8-3.0 398=79, 7623/4.0=47...(10) 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...(13) 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 2.5-3.0 414=100, 417/1441=49...(12) 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 2.8-3.0 421=100, 423/1447=46...(12) H LEU 64 - H LEU 68 far 0 100 0 - 6.0-6.2 H LEU 74 - H LEU 68 far 0 65 0 - 9.4-10.0 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 3 assignments used, quality = 1.00: * H LEU 70 + H GLU 69 OK 99 100 100 99 2.8-3.0 428=83, 430/1454=40...(10) H GLU 47 + H ALA 46 OK 66 70 100 94 2.2-2.6 278=79, 280/2.9=48...(5) H LYS 73 - H GLU 69 far 0 98 0 - 6.4-6.8 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 = 1.00: * H ILE 71 + H LEU 70 OK 100 100 100 100 2.6-2.8 434=100, 436/1460=50...(13) 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 2.4-2.6 441=100, 443/1467=51...(10) H LYS 65 - H ILE 71 far 0 77 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. Peak 1915 from nnoeabs.peaks (7.72, 8.02, 116.52 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + H SER 72 OK 100 100 100 100 2.6-2.8 448=98, 450/4.0=34...(10) H LEU 70 - H SER 72 far 0 98 0 - 4.0-4.4 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 2.5-2.9 452=100, 4.3/1478=37...(11) H GLU 69 - H LYS 73 far 0 65 0 - 6.4-6.8 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 2.6-2.9 462=100, 469/9827=33...(6) 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 2.0-2.4 469=100, 9827/462=37...(6) 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 4.3-4.4 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 4.3-4.6 4.7=100 H ALA 124 - H PHE 79 far 0 100 0 - 8.1-8.6 H ILE 71 - H PHE 79 far 0 100 0 - 9.7-10.0 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 4.0-4.1 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 - 9.1-9.5 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 1 assignment used, quality = 1.00: * H ASP 84 + H GLN 83 OK 100 100 100 100 4.0-4.3 4.5=100 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 2.3-2.5 536=100, 537/3.0=50...(10) H ASP 110 - H GLN 85 far 0 99 0 - 9.6-10.4 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 2.4-2.7 548=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 = 0.97: * H GLU 89 + H ASN 88 OK 97 100 100 97 2.8-3.0 554=76, 557/1581=44...(7) H ASP 84 - H ASN 88 far 0 73 0 - 8.7-9.1 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 = 0.98: * H LEU 90 + H GLU 89 OK 98 100 100 98 2.4-2.6 560=81, 7756/5769=38...(9) 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 2.5-2.9 566=100, 568/1592=55...(8) 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 = 0.95: * H GLU 92 + H GLU 91 OK 95 100 100 95 2.7-2.9 573=63, 575/1599=49...(7) H PHE 93 - H GLU 91 far 0 77 0 - 4.1-4.7 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 = 1.00: * H LYS 94 + H PHE 93 OK 100 100 100 100 2.3-2.7 585=100, 588/1612=44...(7) 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 2.7-3.0 593=98, 595/1619=50...(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 = 0.96: * H LYS 96 + H ARG 95 OK 96 100 100 96 2.7-2.9 603=70, 607/1631=38...(9) 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 = 0.92: * H ILE 97 + H LYS 96 OK 92 100 100 92 2.7-2.9 611=54, 7797/6091=39...(8) Violated in 1 structures by 0.00 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 2.3-2.5 621=100, 623/1647=45...(9) H VAL 104 - H ILE 97 far 0 61 0 - 7.5-8.4 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 2.6-2.7 628=100, 7812/6215=63...(8) H PHE 93 - H GLU 98 far 0 99 0 - 7.6-8.0 H GLU 92 - H GLU 98 far 0 90 0 - 9.1-9.4 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 = 0.95: * H GLN 100 + H SER 99 OK 95 100 100 95 2.3-2.6 634=81, 4.5/1661=27...(7) 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 2.7-3.1 638=100, 7820/1665=54...(6) 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 1.9-2.2 646=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 4.3-4.6 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 4.2-4.6 4.7=100 H GLU 98 - H GLU 103 far 0 61 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 1948 from nnoeabs.peaks (8.81, 8.71, 124.86 ppm; 4.73 A increased from 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 106 + H ARG 105 OK 100 100 100 100 4.4-4.5 4.6=100 H PHE 120 - H ARG 105 far 0 61 0 - 9.1-10.1 Violated in 0 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 4.5-4.6 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 1 assignment used, quality = 1.00: * H ASP 109 + H THR 108 OK 100 100 100 100 1.9-1.9 691=100, 10354/7858=43...(8) 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 4.5-4.6 4.6=100 H ASP 86 - H ASP 109 far 0 99 0 - 9.2-9.7 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 = 0.91: * H GLU 111 + H ASP 110 OK 91 100 100 91 2.5-2.7 699=59, 702/1726=35...(7) H ASP 84 - H ASP 110 far 0 96 0 - 8.9-9.5 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 2.4-2.8 709=100, 711/4.0=38...(10) H VAL 117 - H GLU 112 far 0 100 0 - 7.9-8.4 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 2.7-2.9 715=100, 717/1741=65...(10) H LEU 114 - H VAL 117 far 0 97 0 - 4.8-5.2 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 2 assignments used, quality = 1.00: * H LYS 115 + H LEU 114 OK 100 100 100 100 2.3-2.6 718=100, 720/1744=46...(12) HE ARG 105 - H LEU 114 far 0 65 0 - 9.4-13.5 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 = 0.98: * H ILE 116 + H LYS 115 OK 98 100 100 98 2.4-2.6 725=84, 729/1753=31...(12) H SER 72 - H GLN 100 far 0 34 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1959 from nnoeabs.peaks (8.12, 8.00, 120.61 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + H ILE 116 OK 100 100 100 100 2.4-2.9 735=100, 737/1761=53...(9) H ALA 113 - H ILE 116 far 0 100 0 - 4.7-5.0 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 2.4-2.8 742=70, 744/1768=45...(9) H ASP 109 - H ALA 113 far 0 87 0 - 4.4-5.0 H ARG 118 - H ALA 113 far 0 97 0 - 8.2-8.5 H VAL 22 - H VAL 117 far 0 90 0 - 8.6-9.2 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 2.5-2.8 747=100, 10546/1774=47...(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 = 0.99: * H PHE 120 + H GLU 119 OK 99 100 100 99 2.5-2.9 755=86, 759/1783=37...(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...(11) H GLU 103 - H PHE 120 far 0 100 0 - 9.8-10.9 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 2.6-2.8 769=86, 771/1795=44...(8) H VAL 22 - H MET 121 far 0 70 0 - 9.1-10.0 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 2.5-2.9 776=83, 2235/1964=32...(10) 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 2.4-2.8 784=100, 787/1811=50...(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 1 assignment used, quality = 1.00: * H GLY 125 + H ALA 124 OK 100 100 100 100 2.6-2.7 794=99, 8308/8307=29...(4) 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 2.5-2.9 797=100, 798/3.0=74...(6) 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, 7949/1826=24...(5) Violated in 0 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 2.4-2.8 804=100, 806/1830=60...(12) 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 4.4-4.7 62/1861=91, 1975=90...(8) H LYS 17 - H ASP 12 far 0 98 0 - 8.0-8.3 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 4.1-4.5 3.6/62=98, 1979/68=95...(6) 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 4.4-4.7 1972=100, 1861/62=94...(8) 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 3.3-3.5 7964=68, 7965/1097=66...(8) Violated in 0 structures by 0.00 A. Peak 1983 from nnoeabs.peaks (4.03, 7.60, 117.60 ppm; 3.98 A increased from 3.75 A): 1 out of 2 assignments used, quality = 0.93: * HA GLU 13 + H LYS 16 OK 93 100 100 93 3.4-3.9 1989/82=60...(5) HA3 GLY 75 - H LEU 74 far 0 75 0 - 5.0-5.3 Violated in 0 structures by 0.00 A. Peak 1985 from nnoeabs.peaks (8.79, 7.60, 117.60 ppm; 5.80 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + H LYS 16 OK 100 100 100 100 4.0-4.7 92/82=100, 1993/3.6=86 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 3.8-4.0 1864/82=100, 72/7369=48 Violated in 0 structures by 0.00 A. Peak 1988 from nnoeabs.peaks (3.98, 7.58, 118.83 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.97: HA LYS 17 + H LYS 17 OK 97 97 100 100 2.8-2.8 3.0=100 ! HA LEU 14 - H LYS 17 far 0 100 0 - 3.5-3.9 HA GLU 111 - H LYS 17 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 1989 from nnoeabs.peaks (4.03, 7.58, 118.83 ppm; 4.04 A increased from 3.80 A): 1 out of 1 assignment used, quality = 0.96: * HA GLU 13 + H LYS 17 OK 96 100 100 96 3.7-4.0 1983/82=63, 7074/1116=54...(6) Violated in 2 structures by 0.00 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 3.8-4.1 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 3.7-4.3 7983=86, 7984/1124=71...(7) 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 4.2-4.4 2002=100, 109/102=98...(4) 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 3.8-4.1 1990=100, 92/102=93, 3.6/1998=80 H LEU 14 - H LYS 19 far 0 98 0 - 7.4-7.9 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 = 0.99: * HA LYS 16 + H LYS 19 OK 99 100 100 99 3.3-3.8 7988=80, 7991/4.0=64...(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 3.9-4.3 7986=100, 1993/102=84...(6) 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 3.9-4.1 8001=100, 3.6/109=98...(6) 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 4.2-4.4 102/109=87, 3.6/2003=80...(4) H VAL 29 - H LYS 20 far 0 94 0 - 9.7-10.6 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 = 0.92: * HA LYS 17 + H LYS 20 OK 92 100 100 92 3.6-4.0 7995=55, 2817/1143=41...(6) HA LEU 14 - H LYS 20 far 0 97 0 - 7.5-7.8 Violated in 3 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 4.6-5.0 7991/112=92, 7989/111=76...(5) Violated in 1 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 3.1-3.6 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 4.0-4.2 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 4.2-4.4 2030=100, 1882/1881=93...(8) 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 1 assignment used, quality = 1.00: * H LYS 39 + H GLU 37 OK 100 100 100 100 4.0-4.4 1883/1882=87...(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 4.2-4.4 1881/1882=83, 2025=70...(8) H MET 67 - H LEU 38 far 0 98 0 - 7.9-8.4 H ASP 31 - H LEU 38 far 0 90 0 - 9.2-9.6 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 3.1-3.3 8028=68, 8029/1234=54...(13) HA GLU 37 + H LEU 38 OK 84 84 100 100 3.5-3.6 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 3.7-4.0 8037/3568=69, 8035=69...(12) HA GLU 103 - H ILE 97 far 0 75 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 2036 from nnoeabs.peaks (4.05, 7.83, 118.40 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 35 + H LYS 39 OK 100 100 100 100 3.9-4.4 8033=65, 8029/213=64...(15) HA LYS 96 + H ILE 97 OK 51 51 100 100 3.6-3.6 3.6=100 HA GLU 37 - H LYS 39 poor 17 84 20 - 4.3-4.8 HA GLU 92 - H ILE 97 far 0 68 0 - 6.9-7.4 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 3.9-4.3 1883/1884=95...(5) Violated in 0 structures by 0.00 A. Peak 2040 from nnoeabs.peaks (4.06, 7.78, 119.27 ppm; 3.59 A increased from 3.19 A): 1 out of 3 assignments used, quality = 0.97: * HA GLU 37 + H LYS 40 OK 97 100 100 97 3.2-3.6 8042=64, 8044/1251=63...(5) HA SER 35 - H LYS 40 far 0 84 0 - 6.1-6.5 HA LYS 44 - H LYS 40 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 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 3.8-4.5 8040=94, 8038/221=88...(9) 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 4.0-4.7 8055=100, 3.6/228=99...(5) 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 2 assignments used, quality = 0.99: * HA LEU 38 + H GLU 41 OK 99 100 100 99 3.6-4.0 8052/1262=68, 8049=56...(8) HB2 SER 35 - H GLU 41 far 0 96 0 - 9.2-10.1 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 = 0.99: * HA GLU 37 + H GLU 41 OK 99 100 100 99 3.5-4.2 8044/230=81, 2040/228=75...(4) HA SER 35 - H GLU 41 far 0 84 0 - 7.4-7.9 HA LYS 44 - H GLU 41 far 0 100 0 - 7.4-7.8 Violated in 0 structures by 0.00 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 3.8-4.3 2054=98, 244/1886=93...(5) 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 4.3-4.8 8062=100, 3.6/1886=98...(4) HA GLU 66 - H MET 42 far 0 99 0 - 9.9-10.6 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 3.2-3.7 8056=99, 8057/1267=52...(9) Violated in 0 structures by 0.00 A. Peak 2051 from nnoeabs.peaks (3.91, 8.78, 118.11 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + H MET 42 OK 100 100 100 100 4.0-4.6 8054=100, 2045/1886=87...(9) 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 4.0-4.4 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 4.0-4.6 2060/1888=95, 3.6/244=94...(4) HA ALA 46 - H LYS 43 far 0 90 0 - 7.8-8.1 HA GLU 47 - H LYS 43 far 0 84 0 - 8.2-8.4 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 3.8-4.3 2047=100, 1886/244=94...(5) 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 1 assignment used, quality = 0.97: * HA LYS 40 + H LYS 43 OK 97 100 100 97 3.5-3.8 8063=73, 8065/1274=71...(7) Violated in 1 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 3.7-4.4 8061=94, 2050/244=79...(9) 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 4.0-4.4 1889/1888=99...(4) 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 4.0-4.5 3.6/1888=100...(4) HA GLU 48 - H LYS 44 far 0 92 0 - 7.9-9.2 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 4.0-4.4 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 3 assignments used, quality = 0.96: * HA GLU 41 + H LYS 44 OK 96 100 100 96 3.3-3.7 8070=61, 8074/4.0=48...(8) HA GLU 47 - H LYS 44 far 0 84 0 - 6.8-7.0 HA ALA 46 - H LYS 44 far 0 90 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 2062 from nnoeabs.peaks (7.64, 7.45, 118.27 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.98: * H ALA 46 + H LYS 44 OK 98 100 100 98 4.3-4.6 1890/1889=81...(4) HD21 ASN 50 - H LYS 44 far 0 99 0 - 7.7-15.0 Violated in 1 structures by 0.00 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 3.3-3.5 8078/3997=51...(9) HA GLU 48 - H LEU 45 far 0 92 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 2066 from nnoeabs.peaks (4.26, 8.16, 117.78 ppm; 5.39 A increased from 4.54 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 41 + H LEU 45 OK 99 100 100 99 4.7-5.4 2060/1889=88...(7) HA ALA 46 + H LEU 45 OK 89 90 100 100 5.2-5.4 3.0/1890=97, 2.1/9453=86...(5) HA GLU 47 - H LEU 45 far 0 84 0 - 6.4-6.6 Violated in 0 structures by 0.00 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 4.3-4.6 2062=100, 1889/1890=99...(4) Violated in 0 structures by 0.00 A. Peak 2070 from nnoeabs.peaks (4.09, 7.64, 118.54 ppm; 3.62 A increased from 3.22 A): 1 out of 2 assignments used, quality = 0.98: * HA LYS 43 + H ALA 46 OK 98 100 100 98 3.4-3.6 8084=93, 8086/1301=63 HA GLN 62 - H GLU 69 far 0 43 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 2071 from nnoeabs.peaks (4.38, 7.64, 118.54 ppm; 5.02 A increased from 4.72 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 42 + H ALA 46 OK 100 100 100 100 4.6-5.1 8078/273=81...(8) HA GLU 48 - H ALA 46 far 0 92 0 - 6.0-7.2 HA SER 72 - H GLU 69 far 0 40 0 - 7.0-7.3 Violated in 1 structures by 0.00 A. Peak 2072 from nnoeabs.peaks (4.15, 7.71, 115.49 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 45 + H GLU 47 OK 99 100 100 99 3.9-4.3 3.6/278=92, 3.0/2073=69 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 3.6-3.8 1890/278=94, 3.6/2074=81...(8) 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 3.1-3.5 8090/1304=80...(5) 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 4.3-4.9 8095=100, 3.6/1905=100...(4) 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 4.4-4.8 2086=100, 391/384=97...(5) H THR 9 - H LEU 63 far 0 98 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2081 from nnoeabs.peaks (4.11, 7.63, 117.70 ppm; 4.74 A increased from 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + H LEU 64 OK 100 100 100 100 3.7-4.7 8102=90, 3.6/384=86...(5) Violated in 0 structures by 0.00 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 3.8-4.3 1905/384=98, 2.9/2081=75...(6) H VAL 32 - H LEU 64 far 0 97 0 - 8.5-9.5 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 3.3-3.8 8096=75, 8099/1418=73...(8) 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 3.9-4.6 1908/391=74, 2092/3.6=67...(7) Violated in 0 structures by 0.00 A. Peak 2086 from nnoeabs.peaks (7.67, 8.04, 118.31 ppm; 4.77 A increased from 3.81 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 63 + H LYS 65 OK 99 100 100 99 4.4-4.8 384/391=84, 3.6/2087=71...(5) HE ARG 118 - H ARG 118 far 10 65 15 - 3.8-5.9 H GLU 21 - H ARG 118 far 0 64 0 - 8.2-9.3 H LEU 63 - H THR 9 far 0 79 0 - 9.7-10.5 Violated in 1 structures by 0.00 A. Peak 2087 from nnoeabs.peaks (4.11, 8.04, 118.31 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 62 + H LYS 65 OK 100 100 100 100 3.5-3.9 8103=97, 8108/1908=51...(6) HA ASP 110 - H THR 9 far 0 67 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 2088 from nnoeabs.peaks (3.72, 8.04, 118.31 ppm; 4.59 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 61 + H LYS 65 OK 100 100 100 100 3.7-4.6 8099/394=73, 2083/391=58...(8) HA LEU 114 + H ARG 118 OK 28 59 50 95 4.2-5.0 10515/4.3=54...(5) HA LYS 61 - H THR 9 far 0 79 0 - 7.2-8.4 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 = 0.96: * H MET 67 + H LYS 65 OK 96 100 100 96 4.0-4.3 408/1908=72, 2097/3.6=59...(5) H LYS 123 - H ARG 118 far 0 64 0 - 8.0-8.8 Violated in 4 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 4.6-5.0 3.6/1908=96, 2097/408=94...(6) HB2 SER 35 - H GLU 66 far 0 87 0 - 7.6-9.9 HA LEU 38 - H GLU 66 far 0 99 0 - 8.6-9.0 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 3.9-4.6 2084=100, 391/1908=97...(7) H GLU 69 + H GLU 66 OK 100 100 100 100 5.0-5.1 8131/2.9=99, 8129/3.6=91...(4) Violated in 0 structures by 0.00 A. Peak 2092 from nnoeabs.peaks (4.13, 7.80, 119.36 ppm; 4.08 A increased from 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 63 + H GLU 66 OK 100 100 100 100 3.7-4.1 8110=85, 8114/1435=66...(10) HB3 SER 72 - H GLU 66 far 0 87 0 - 9.8-10.2 Violated in 1 structures by 0.00 A. Peak 2093 from nnoeabs.peaks (4.11, 7.80, 119.36 ppm; 4.21 A increased from 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 62 + H GLU 66 OK 100 100 100 100 4.0-4.0 8108=100, 2087/1908=59...(5) HB3 SER 72 - H GLU 66 far 0 70 0 - 9.8-10.2 Violated in 0 structures by 0.00 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 4.2-4.6 414/408=91, 2100/2.9=73...(6) Violated in 0 structures by 0.00 A. Peak 2095 from nnoeabs.peaks (3.79, 8.39, 118.40 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 65 + H MET 67 OK 100 100 100 100 4.1-4.6 3.6/408=88, 3.0/2089=82...(6) HA LEU 68 - H MET 67 far 4 77 5 - 5.2-5.5 HB2 SER 58 - H MET 67 far 0 81 0 - 6.5-7.1 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 = 1.00: * HA LEU 64 + H MET 67 OK 100 100 100 100 3.5-3.8 8120/1441=65...(12) HA LEU 38 - H MET 67 far 0 99 0 - 6.5-7.1 HB2 SER 35 - H MET 67 far 0 87 0 - 8.3-10.1 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 3.8-4.3 8114/411=95, 2092/408=91...(9) HB3 SER 72 - H MET 67 far 0 87 0 - 9.1-9.3 HB2 SER 72 - H MET 67 far 0 87 0 - 9.9-11.1 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 4.2-4.6 2106=100, 421/414=99...(7) H LEU 64 + H MET 67 OK 100 100 100 100 4.6-4.8 2.9/2097=98, 2084/408=89...(7) H ASP 34 - H MET 67 far 0 90 0 - 9.9-10.4 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 = 0.98: * HA GLU 66 + H LEU 68 OK 98 100 100 98 4.5-4.8 3.6/414=82, 8131/421=77 Violated in 0 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 4.2-4.6 2094=100, 408/414=100...(6) 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 = 0.86: HA LEU 68 + H LEU 68 OK 77 77 100 100 2.7-2.8 3.0=100 * HA LYS 65 + H LEU 68 OK 37 100 40 92 3.3-3.8 8125/1447=42...(8) HB2 SER 58 - H LEU 68 far 0 81 0 - 7.0-8.1 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 4.0-4.3 8120/417=87, 2097/414=84...(10) HA LEU 38 - H LEU 68 far 0 99 0 - 8.5-9.1 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 4.2-4.6 2111=100, 428/421=98...(5) H LYS 73 - H LEU 68 far 0 98 0 - 8.4-8.7 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 4.5-4.8 8137=90, 3.6/421=82...(5) HA ILE 97 - H GLU 69 far 0 92 0 - 7.6-8.3 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 4.2-4.6 414/421=98, 3.6/8131=94...(7) Violated in 0 structures by 0.00 A. Peak 2107 from nnoeabs.peaks (4.03, 7.63, 118.68 ppm; 4.02 A increased from 3.39 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 66 + H GLU 69 OK 100 100 100 100 3.7-3.9 8131=100, 8132/1454=68...(6) HA LYS 40 - H ALA 46 far 0 70 0 - 8.2-8.6 HA3 GLY 101 - H GLU 69 far 0 70 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2108 from nnoeabs.peaks (3.79, 7.63, 118.68 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.77: HA LEU 68 + H GLU 69 OK 77 77 100 100 3.6-3.6 3.6=100 ! HA LYS 65 - H GLU 69 far 5 100 5 - 3.9-4.3 HB2 SER 58 - H GLU 69 far 0 81 0 - 9.9-10.9 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 4.0-4.2 434/428=86, 2117/3.6=74...(5) H LYS 49 - H ALA 46 far 3 63 5 - 4.9-8.6 H ILE 71 - H ALA 46 far 0 72 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2110 from nnoeabs.peaks (3.78, 7.72, 119.50 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 68 + H LEU 70 OK 100 100 100 100 4.4-4.9 3.6/428=89, 2117/434=79...(6) HA LYS 65 - H LEU 70 far 0 77 0 - 6.5-6.9 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 4.2-4.6 421/428=91, 3.6/2112=79...(5) 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 1 assignment used, quality = 1.00: * HA MET 67 + H LEU 70 OK 100 100 100 100 3.5-3.8 8138=70, 8139/1460=69...(10) 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 4.0-4.4 441/434=80, 2122/3.6=75...(6) H LYS 65 - H LEU 70 far 0 77 0 - 8.0-8.4 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 3.3-3.6 8145=72, 8146/1467=59...(8) HA LYS 65 - H ILE 71 far 0 77 0 - 7.5-7.9 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 1 assignment used, quality = 1.00: * HA MET 67 + H ILE 71 OK 100 100 100 100 4.1-4.5 8143=100, 8139/436=95...(10) 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 3.2-3.5 8150=74, 8153/4.0=59...(5) 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 = 1.00: * HA LEU 68 + H SER 72 OK 100 100 100 100 4.2-4.7 2117/441=70, 8146/443=69...(9) HA LYS 65 - H SER 72 far 0 77 0 - 8.5-8.8 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 1 assignment used, quality = 1.00: * HA ILE 71 + H LYS 73 OK 100 100 100 100 4.0-4.7 3.6/1915=89, 9790/452=76...(8) 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 4.2-4.5 441/1915=85, 3.6/2126=82...(4) 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 = 0.95: * HA LEU 70 + H LYS 73 OK 95 100 100 95 3.5-3.8 8160/1479=51, 8157=50...(6) Violated in 0 structures by 0.00 A. Peak 2127 from nnoeabs.peaks (4.05, 7.72, 120.73 ppm; 4.87 A increased from 4.58 A): 1 out of 1 assignment used, quality = 0.92: * HA GLU 69 + H LYS 73 OK 92 100 100 92 4.3-4.9 8153/4.6=71, 2122/1915=71 Violated in 1 structures by 0.00 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 3.6-4.2 1932/1931=89...(4) 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 4.7-4.8 3.6/1931=94...(4) HA GLU 92 - H GLU 89 far 0 100 0 - 7.3-7.8 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 4.5-4.7 548/1931=91...(4) 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 4.1-4.5 2138=100, 566/1932=99...(5) 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 3.3-3.6 8164=100, 8165/1592=83...(9) HA GLU 92 - H LEU 90 far 0 100 0 - 6.8-7.1 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 4.3-4.8 8177=100, 3.6/566=85...(4) HA ARG 95 - H GLU 91 far 0 100 0 - 7.9-8.7 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 4.1-4.5 1932/566=85, 3.0/8177=75...(5) H ASP 84 - H GLU 91 far 0 73 0 - 7.9-8.3 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 3.8-4.2 8171=100, 8174/1600=80...(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 3.4-3.9 8178=100, 8180/1605=80...(6) HA ARG 95 - H GLU 92 far 0 100 0 - 7.3-7.7 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 4.3-4.8 8172/575=92...(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 = 0.98: * H LYS 94 + H GLU 92 OK 98 100 100 98 3.9-4.2 2154/3.6=82, 585/4.6=78...(4) 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 = 1.00: * HA LEU 90 + H PHE 93 OK 100 100 100 100 3.7-4.1 8185=100, 8188/1612=52...(4) 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 3.0-3.4 8192=96, 8195/1620=68...(10) HA LYS 96 - H LYS 94 far 0 96 0 - 6.6-6.9 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 4.1-4.3 5780/10099=84...(6) 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 3.9-4.2 2163=100, 1938/1937=99...(4) Violated in 0 structures by 0.00 A. Peak 2157 from nnoeabs.peaks (4.34, 8.16, 117.19 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H ARG 95 OK 100 100 100 100 4.5-5.1 8205=100, 3.6/1937=98 HA GLU 98 - H ARG 95 far 0 99 0 - 6.4-6.8 HA SER 99 - H ARG 95 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 2159 from nnoeabs.peaks (4.03, 8.16, 117.19 ppm; 4.49 A increased from 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 92 + H ARG 95 OK 100 100 100 100 3.8-4.4 8199=100, 7970/1631=51...(6) HA GLU 87 - H ARG 95 far 0 100 0 - 8.2-9.1 Violated in 0 structures by 0.00 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 3.9-4.2 2156=100, 1937/1938=99...(4) Violated in 0 structures by 0.00 A. Peak 2164 from nnoeabs.peaks (4.34, 7.79, 119.58 ppm; 5.29 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H LYS 96 OK 100 100 100 100 3.5-3.7 8206=100, 8210/6091=90...(10) HA GLU 98 - H LYS 96 far 0 99 0 - 6.4-6.6 HA SER 99 - H LYS 96 far 0 100 0 - 7.6-7.9 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 3.5-3.8 8213=100, 8214/1647=73...(7) Violated in 0 structures by 0.00 A. Peak 2170 from nnoeabs.peaks (4.34, 7.83, 118.55 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HA PHE 93 + H ILE 97 OK 100 100 100 100 4.3-4.7 8211=100, 8210/7797=99...(9) HA GLU 98 + H ILE 97 OK 99 99 100 100 4.8-5.0 3.0/621=100...(4) HA SER 99 - H ILE 97 far 0 100 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 2171 from nnoeabs.peaks (8.10, 7.83, 118.55 ppm; 6.20 A): 1 out of 3 assignments used, quality = 1.00: * H SER 99 + H ILE 97 OK 100 100 100 100 4.1-4.4 2177=100, 628/621=96...(9) H PHE 93 - H ILE 97 far 15 99 15 - 6.2-6.6 H GLU 92 - H ILE 97 far 0 90 0 - 8.2-8.5 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 = 0.93: * H LYS 96 + H GLU 98 OK 93 100 100 93 3.7-3.9 1939/621=82, 3.6/2174=59 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 = 1.00: * HA ARG 95 + H GLU 98 OK 100 100 100 100 3.0-3.3 11702=70, 8221/6215=69...(6) 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 4.1-4.5 8216=100, 8214/623=88...(9) 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 3.5-4.1 3.6/628=96, 3.0/2171=74...(4) 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 4.1-4.4 2171=100, 621/628=96...(9) Violated in 0 structures by 0.00 A. Peak 2178 from nnoeabs.peaks (4.07, 8.10, 115.50 ppm; 4.30 A increased from 4.05 A): 1 out of 2 assignments used, quality = 0.42: * HA LYS 96 + H SER 99 OK 42 100 100 42 4.0-4.3 3.6/2177=31, 11178/1942=16 HA GLU 91 - H SER 99 far 0 96 0 - 9.5-10.1 Violated in 3 structures by 0.00 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 3.9-4.7 8223=100, 8221/7812=87...(4) Violated in 0 structures by 0.00 A. Peak 2180 from nnoeabs.peaks (8.23, 8.70, 122.85 ppm; 4.27 A increased from 3.60 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 112 + H ASP 110 OK 99 100 100 99 3.8-4.3 2183=63, 10402/698=57...(10) H ILE 15 - H ASP 110 far 0 99 0 - 10.0-10.9 Violated in 1 structures by 0.00 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 3.8-4.3 2180=100, 698/10402=72...(10) 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 3.9-4.3 2190=100, 715/709=90...(8) 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 = 0.99: * HA ASP 110 + H ALA 113 OK 99 100 100 99 3.4-3.9 8232=85, 8233/1741=78...(8) HA ASP 110 - H VAL 117 far 0 97 0 - 8.9-9.7 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 VAL 117 OK 94 97 100 96 3.8-4.1 1958/1959=72...(5) * H LYS 115 + H ALA 113 OK 94 100 95 98 3.9-4.5 718/715=75, 8244/3.6=61...(7) HE ARG 105 - H ALA 113 far 0 65 0 - 7.7-12.6 HE ARG 105 - H VAL 117 far 0 60 0 - 8.4-10.9 HE21 GLN 85 - H ALA 113 far 0 97 0 - 9.2-15.4 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 3.9-4.3 709/715=84, 2184=82...(8) H ILE 15 - H LEU 114 far 0 99 0 - 9.2-9.7 Violated in 0 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 3.5-3.8 8237=86, 11192/1746=56...(7) HA GLU 112 + H LEU 114 OK 27 94 30 96 3.8-4.3 3.6/715=56, 8244/718=46...(8) HA LEU 14 - H LEU 114 far 0 100 0 - 5.9-6.5 HA LYS 17 - H LEU 114 far 0 99 0 - 8.5-9.0 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 3.8-4.4 1958/718=89, 2200=66...(7) 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 VAL 117 + H LYS 115 OK 95 100 100 96 3.8-4.1 735/1958=72, 2206/3.6=55...(5) * H ALA 113 + H LYS 115 OK 92 100 95 97 3.9-4.5 715/718=70, 3.6/8244=57...(6) H SER 99 + H GLN 100 OK 29 34 100 85 2.3-2.6 4.6=73, 6241/4.5=14...(6) Violated in 0 structures by 0.00 A. Peak 2196 from nnoeabs.peaks (4.00, 7.62, 119.07 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.97: * HA GLU 112 + H LYS 115 OK 96 100 100 96 3.0-3.4 8244=64, 10462/1753=29...(13) HB3 SER 99 + H GLN 100 OK 27 67 65 62 2.9-4.1 4.5=45, 4.0/1942=32 HB2 SER 99 - H GLN 100 poor 17 67 25 - 3.0-4.3 HA GLU 111 - H LYS 115 far 0 94 0 - 4.8-5.2 HA3 GLY 101 - H GLN 100 far 0 52 0 - 5.3-5.5 HA LEU 14 - H LYS 115 far 0 87 0 - 8.4-8.7 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 VAL 117 + H LYS 115 OK 96 100 100 96 3.8-4.1 735/1958=72, 2206/3.6=55...(5) H ALA 113 + H LYS 115 OK 92 100 95 97 3.9-4.5 715/718=70, 3.6/8244=56...(6) 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 3.8-4.4 2193=100, 718/1958=98...(7) 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 98 100 100 98 3.3-3.9 8252/1761=50...(10) Violated in 0 structures by 0.00 A. Peak 2202 from nnoeabs.peaks (4.00, 8.00, 120.61 ppm; 5.25 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 112 + H ILE 116 OK 100 100 100 100 3.5-4.5 8249=100, 8244/1958=84...(9) HA GLU 111 - H ILE 116 far 0 94 0 - 7.0-7.4 HA LEU 14 - H ILE 116 far 0 87 0 - 9.4-10.2 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 98 100 100 98 3.8-4.1 1958/735=83, 3.6/2206=66...(5) H LYS 115 + H ALA 113 OK 96 97 100 99 3.9-4.5 718/715=81, 8244/3.6=67...(7) HE ARG 105 - H ALA 113 far 0 60 0 - 7.7-12.6 HE ARG 105 - H VAL 117 far 0 65 0 - 8.4-10.9 HE21 GLN 85 - H ALA 113 far 0 92 0 - 9.2-15.4 Violated in 0 structures by 0.00 A. Peak 2206 from nnoeabs.peaks (3.71, 8.12, 120.23 ppm; 4.04 A increased from 3.80 A): 1 out of 2 assignments used, quality = 0.98: * HA LEU 114 + H VAL 117 OK 98 100 100 98 3.4-4.0 8256=64, 8258/1768=64...(6) HA LEU 114 - H ALA 113 far 0 97 0 - 5.3-5.4 Violated in 0 structures by 0.00 A. Peak 2207 from nnoeabs.peaks (3.80, 8.12, 120.23 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.97: HA ALA 113 + H ALA 113 OK 97 97 100 100 2.7-2.8 3.0=100 HA LYS 115 - H VAL 117 poor 19 100 20 94 3.8-4.5 8261/1960=58, 3.6/735=58...(8) ! HA ALA 113 - H VAL 117 far 0 100 0 - 4.2-4.7 HA LYS 115 - H ALA 113 far 0 97 0 - 6.8-7.3 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 3.7-4.4 2215=100, 747/1960=99...(8) H GLU 119 - H ALA 113 far 0 97 0 - 9.6-10.1 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 4.1-4.9 3.6/1960=100...(4) 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 3.1-3.5 8261=97, 8264/1774=56...(9) HA LYS 65 + H LYS 65 OK 64 64 100 100 2.8-2.8 3.0=100 HA ALA 113 - H ARG 118 far 0 100 0 - 6.7-7.0 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 = 0.76: HA LYS 61 + H LYS 65 OK 57 59 100 97 3.7-4.6 8099/4.2=55, 8097/4.2=51...(8) * HA LEU 114 + H ARG 118 OK 45 100 45 99 4.2-5.0 2206/1960=73...(5) 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 4.2-4.6 2220=87, 1962/747=78...(6) H SER 58 - H LYS 65 far 0 42 0 - 8.4-9.2 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 3.8-4.6 8274=100, 3.6/747=99...(7) 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 3.7-4.4 1960/747=80, 3.6/2216=64...(8) H ALA 113 - H GLU 119 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 2216 from nnoeabs.peaks (3.46, 7.92, 122.42 ppm; 3.92 A increased from 3.69 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 116 + H GLU 119 OK 99 100 100 99 3.5-3.9 8271/1782=63, 8268=60...(9) Violated in 0 structures by 0.00 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 4.2-4.8 8266=100, 8261/747=98...(8) HA ALA 113 - H GLU 119 far 0 100 0 - 7.9-8.4 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 3.9-4.4 761/1962=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 4.2-4.6 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 3.3-3.8 8275=63, 8276/1787=60...(12) 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 4.5-4.8 8273=100, 2216/1962=96...(7) 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 4.0-4.4 1964/761=85, 8289/3.6=84 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 3.9-4.4 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 3.6-4.0 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 3.9-4.5 8276/763=69, 2221/761=62...(8) Violated in 0 structures by 0.00 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 3.8-4.5 2235=100, 1965/1964=88...(5) 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 4.0-4.4 2223=100, 761/1964=96 Violated in 0 structures by 0.00 A. Peak 2231 from nnoeabs.peaks (4.03, 8.05, 120.56 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 119 + H GLN 122 OK 100 100 100 100 3.5-3.7 8289=100, 8292/4.0=55...(8) HA PHE 120 - H GLN 122 far 5 99 5 - 4.0-4.7 HA LYS 123 - H GLN 122 far 0 100 0 - 5.1-5.4 HB2 SER 126 - H GLN 122 far 0 99 0 - 8.0-9.5 HB3 SER 126 - H GLN 122 far 0 100 0 - 8.4-10.7 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 4.0-4.3 784/1965=86, 8307/3.0=73...(5) 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 3.8-4.5 1964/1965=73, 2228=64...(5) Violated in 2 structures by 0.00 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 2.8-2.9 3.0=100 * HA PHE 120 + H LYS 123 OK 99 100 100 99 3.3-3.8 8296=58, 8299/1811=57...(8) HA GLU 119 + H LYS 123 OK 74 99 80 94 4.0-5.1 8289/1965=63...(9) HB2 SER 126 - H LYS 123 far 0 100 0 - 5.9-7.3 HB3 SER 126 - H LYS 123 far 0 96 0 - 6.5-8.5 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 3.8-4.1 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 1 assignment used, quality = 1.00: * H GLN 122 + H ALA 124 OK 100 100 100 100 4.0-4.3 2233=100, 1965/784=98...(5) 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 3.3-3.8 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 3.8-4.1 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 2 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 81 100 100 81 3.4-3.8 8308=60, 8307/1967=36 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 4.2-4.6 3.0/2252=98, 1967/797=94...(6) Violated in 0 structures by 0.00 A. Peak 2251 from nnoeabs.peaks (4.03, 7.86, 116.08 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.89: HB2 SER 126 + H SER 126 OK 87 100 100 87 2.3-2.7 7173=55, 7949/800=45...(7) HB3 SER 126 + H SER 126 OK 21 99 25 84 2.5-3.6 1.8/7173=45, 4.0=41...(5) ! HA LYS 123 - H SER 126 far 0 100 0 - 3.4-3.9 HA PHE 120 - H SER 126 far 0 100 0 - 7.7-8.4 HA GLU 119 - H SER 126 far 0 100 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 2252 from nnoeabs.peaks (4.13, 7.86, 116.08 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.90: HA ALA 124 + H SER 126 OK 90 94 100 96 3.5-4.1 3.6/797=56, 2257/800=53...(7) ! HA GLN 122 - H SER 126 far 0 100 0 - 5.0-6.0 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 3.8-4.5 1970/800=100...(9) Violated in 0 structures by 0.00 A. Peak 2255 from nnoeabs.peaks (4.06, 7.88, 122.37 ppm; 4.45 A increased from 3.95 A): 1 out of 2 assignments used, quality = 0.85: HA2 GLY 125 + H LEU 127 OK 85 90 100 95 4.0-4.5 3.6/800=85, 2263/804=61 ! HA3 GLY 125 - H LEU 127 far 5 100 5 - 4.5-4.8 Violated in 1 structures by 0.00 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 3.0-3.4 8318=72, 10635/800=63...(8) HA GLN 122 - H LEU 127 far 0 94 0 - 7.2-7.9 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 3.9-5.0 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): 1 out of 2 assignments used, quality = 0.88: * HA2 GLY 125 + H GLU 128 OK 88 100 100 88 3.3-3.9 2255/804=40...(7) HA3 GLY 125 - H GLU 128 far 0 90 0 - 4.5-5.3 Violated in 0 structures by 0.00 A. Peak 2263 from nnoeabs.peaks (4.06, 8.08, 119.78 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.80: HA2 GLY 125 + H GLU 128 OK 80 90 100 89 3.3-3.9 2255/804=51...(7) ! HA3 GLY 125 - H GLU 128 far 0 100 0 - 4.5-5.3 Violated in 0 structures by 0.00 A. Peak 2264 from nnoeabs.peaks (4.14, 8.08, 119.78 ppm; 4.61 A increased from 4.34 A): 1 out of 2 assignments used, quality = 0.98: * HA ALA 124 + H GLU 128 OK 98 100 100 98 4.0-4.6 2257/804=62...(7) HA GLN 122 - H GLU 128 far 0 94 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 9033 from nnoeabs.peaks (8.38, 9.08, 127.78 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.79: H PHE 79 + H LEU 4 OK 79 90 90 98 4.3-5.0 3.6/9041=70, 9891=65...(6) Violated in 4 structures by 0.03 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 81 4.8-5.3 9846=68, 9856/4.4=39 H GLU 103 - H LEU 4 far 0 81 0 - 9.3-10.1 H MET 121 - H LEU 4 far 0 84 0 - 9.4-10.4 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 = 0.99: * HA VAL 78 + H LEU 4 OK 99 100 100 99 2.7-3.3 9889=78, 3.2/10665=53...(10) 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 2.3-2.6 9525=100, 9501/3.9=58...(7) 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 3.4-3.6 9939=71, 504/9071=42...(7) Violated in 0 structures by 0.00 A. Peak 9066 from nnoeabs.peaks (2.06, 9.23, 129.32 ppm; 5.45 A): 1 out of 4 assignments used, quality = 0.79: HB3 PHE 79 + H LEU 6 OK 79 81 100 98 3.2-3.8 10943/18=76, 4.0/9070=72...(5) HB3 MET 67 - H LEU 6 far 0 87 0 - 7.2-8.1 HB VAL 117 - H LEU 6 far 0 81 0 - 9.4-9.7 HB3 MET 121 - H LEU 6 far 0 73 0 - 9.9-11.0 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 2.9-3.2 9892=95, 9894/16=65...(8) Violated in 0 structures by 0.00 A. Peak 9071 from nnoeabs.peaks (9.06, 9.23, 129.32 ppm; 5.00 A increased from 4.71 A): 1 out of 2 assignments used, quality = 0.99: H LEU 81 + H LEU 6 OK 99 100 100 99 4.5-4.7 504/9065=83, 9941=70...(7) H LEU 4 - H LEU 6 far 0 61 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 9078 from nnoeabs.peaks (4.91, 8.93, 120.75 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.79: HA ILE 57 + H ILE 7 OK 79 100 100 79 3.2-3.9 9080/1051=54...(4) HA LEU 82 - H ILE 7 far 0 100 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 9086 from nnoeabs.peaks (9.20, 8.93, 120.75 ppm; 4.94 A increased from 4.65 A): 1 out of 1 assignment used, quality = 0.72: H ILE 56 + H ILE 7 OK 72 73 100 98 4.5-4.9 11559/27=72, 9530=65...(5) Violated in 0 structures by 0.00 A. Peak 9090 from nnoeabs.peaks (8.45, 8.63, 125.54 ppm; 5.90 A): 1 out of 2 assignments used, quality = 0.87: H GLN 83 + H ASN 8 OK 87 87 100 100 4.2-4.5 3.6/9094=88, 9989=81...(5) H ASN 10 - H ASN 8 far 0 94 0 - 7.2-7.3 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 2.8-4.3 40=94, 37/823=68...(4) H LYS 65 - HD21 ASN 8 far 0 81 0 - 6.4-8.4 Violated in 0 structures by 0.00 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 2.8-3.2 10673=69, 518/9989=56...(6) HA ILE 57 - H ASN 8 far 0 100 0 - 5.8-6.4 HA ARG 105 - H ASN 8 far 0 99 0 - 9.4-9.9 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 2.2-4.1 9097/1.7=76...(3) HA ASN 11 - HD21 ASN 8 far 0 81 0 - 8.9-11.0 Violated in 0 structures by 0.00 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 2.6-4.1 9096/1.7=79...(3) HA ASN 11 - HD22 ASN 8 far 0 61 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 9098 from nnoeabs.peaks (0.82, 8.63, 125.54 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 82 + H ASN 8 OK 94 100 100 94 3.3-3.8 9971/1058=51...(6) QD1 LEU 64 + H ASN 8 OK 71 90 100 80 3.4-3.8 9099/3.0=54, 9104/4.0=25...(5) QG2 ILE 57 - H ASN 8 far 0 77 0 - 5.1-6.1 QG2 ILE 5 - H ASN 8 far 0 73 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 9106 from nnoeabs.peaks (0.81, 7.37, 107.51 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 64 + HD21 ASN 8 OK 95 97 100 98 3.1-4.2 9104/3.5=64...(6) QD2 LEU 82 - HD21 ASN 8 poor 17 65 35 73 3.1-4.7 9971/3.5=35, 9970/3.5=33...(5) QD1 LEU 81 - HD21 ASN 8 far 0 65 0 - 8.1-9.3 Violated in 2 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 3.9-4.6 9106/1.7=74, 9104/3.5=74...(6) QD2 LEU 82 + HD22 ASN 8 OK 45 65 90 77 3.8-4.8 9971/3.5=41, 9970/3.5=38...(5) QD1 LEU 81 - HD22 ASN 8 far 0 65 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 9127 from nnoeabs.peaks (8.81, 8.04, 118.49 ppm; 4.67 A increased from 4.15 A): 1 out of 4 assignments used, quality = 0.99: H SER 58 + H THR 9 OK 99 100 100 99 4.3-4.7 9585=95, 9589/37=71, 348/9579=58 H ASN 59 - H THR 9 far 0 61 0 - 5.2-6.1 H ASN 59 - H LYS 65 far 0 41 0 - 8.4-9.5 H SER 58 - H LYS 65 far 0 78 0 - 8.4-9.2 Violated in 2 structures by 0.00 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 97 2.6-3.7 9132/46=57, 4.1/43=50...(8) Violated in 0 structures by 0.00 A. Peak 9129 from nnoeabs.peaks (0.76, 8.44, 123.27 ppm; 5.43 A increased from 4.57 A): 1 out of 7 assignments used, quality = 0.98: QD2 LEU 14 + H ASN 10 OK 98 100 100 98 4.9-5.3 9144/46=90...(4) QD1 ILE 15 - H ASN 10 far 10 100 10 - 4.8-6.0 QG1 VAL 107 - H ASN 10 far 0 100 0 - 6.1-6.6 QG2 ILE 7 - H ASN 10 far 0 61 0 - 6.1-6.2 QD1 LEU 82 - H ASN 10 far 0 77 0 - 8.2-8.9 QD1 LEU 80 - H ASN 10 far 0 87 0 - 9.0-9.3 QD1 ILE 7 - H ASN 10 far 0 99 0 - 9.2-9.3 Violated in 0 structures by 0.00 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 3.1-3.7 10008/4.0=86, 9991/43=82...(6) 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 2 assignments used, quality = 0.97: HB2 ASN 11 + H ASN 10 OK 97 99 100 98 4.0-4.9 1074/46=89, 9133/9128=52...(4) HB2 ASN 59 - H ASN 10 far 0 77 0 - 5.3-8.4 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 1.9-2.4 3.0/9143=46, 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 = 0.97: HB THR 9 + H ASN 11 OK 97 98 100 99 3.8-3.9 2.1/9143=82, 2.8/9132=80 HA GLN 85 - H ASN 11 far 0 61 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 9142 from nnoeabs.peaks (1.81, 8.37, 120.92 ppm; 5.42 A increased from 5.11 A): 1 out of 2 assignments used, quality = 0.86: HB2 LEU 14 + H ASN 11 OK 86 87 100 100 4.9-5.1 3.1/9144=90...(5) HB ILE 18 - H ASN 11 far 0 92 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9143 from nnoeabs.peaks (0.86, 8.37, 120.92 ppm; 3.95 A increased from 3.32 A): 1 out of 7 assignments used, quality = 0.97: QG2 THR 9 + H ASN 11 OK 97 97 100 100 3.8-3.8 9126=85, 3.0/9132=66...(8) QD1 LEU 14 - H ASN 11 far 0 100 0 - 5.7-6.0 QG2 ILE 57 - H ASN 11 far 0 73 0 - 6.5-7.1 QG2 ILE 15 - H ASN 11 far 0 94 0 - 6.8-7.2 QG2 VAL 107 - H ASN 11 far 0 87 0 - 7.8-8.4 QG2 VAL 117 - H ASN 11 far 0 94 0 - 9.3-9.9 HG13 ILE 57 - H ASN 11 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 9144 from nnoeabs.peaks (0.76, 8.37, 120.92 ppm; 3.95 A increased from 3.72 A): 1 out of 5 assignments used, quality = 0.93: QD2 LEU 14 + H ASN 11 OK 93 100 100 93 3.6-4.0 11006/9132=44...(7) QD1 ILE 15 - H ASN 11 far 10 100 10 - 3.8-4.9 QG2 ILE 7 - H ASN 11 far 0 61 0 - 6.4-6.6 QG1 VAL 107 - H ASN 11 far 0 100 0 - 6.8-7.4 QD1 ILE 7 - H ASN 11 far 0 99 0 - 9.2-9.4 Violated in 2 structures by 0.01 A. Peak 9149 from nnoeabs.peaks (1.82, 7.33, 114.07 ppm; 6.20 A increased from 5.56 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 14 + HD21 ASN 11 OK 100 100 100 100 5.8-6.2 1.8/9150=99, 9137/3.5=87...(20) HB2 LEU 14 - HD22 ASN 11 far 0 100 0 - 7.3-7.9 HB ILE 18 - HD21 ASN 11 far 0 100 0 - 9.9-10.7 Violated in 9 structures by 0.00 A. Peak 9150 from nnoeabs.peaks (1.49, 7.33, 114.07 ppm; 5.06 A increased from 4.76 A): 1 out of 2 assignments used, quality = 0.84: HB3 LEU 14 + HD21 ASN 11 OK 84 84 100 100 4.4-4.9 3.1/9151=62, 9138/3.5=59...(19) HB3 LEU 14 - HD22 ASN 11 far 0 84 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 9151 from nnoeabs.peaks (0.86, 7.33, 114.07 ppm; 5.30 A): 1 out of 9 assignments used, quality = 1.00: QD1 LEU 14 + HD21 ASN 11 OK 100 100 100 100 4.5-5.1 3.1/9150=71, 3.1/9149=53...(21) QD1 LEU 14 - HD22 ASN 11 far 0 100 0 - 5.7-6.6 QG2 THR 9 - HD21 ASN 11 far 0 100 0 - 6.1-6.7 QG2 VAL 107 - HD21 ASN 11 far 0 97 0 - 6.5-7.6 QG2 THR 9 - HD22 ASN 11 far 0 100 0 - 7.3-7.7 QG2 VAL 107 - HD22 ASN 11 far 0 97 0 - 7.4-9.0 QG2 ILE 15 - HD21 ASN 11 far 0 81 0 - 8.8-9.5 QG2 ILE 15 - HD22 ASN 11 far 0 80 0 - 9.4-10.5 QG2 VAL 117 - HD21 ASN 11 far 0 99 0 - 10.0-10.7 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 2.2-2.6 2.1/9151=64, 3.1/9150=59...(22) QD2 LEU 14 + HD22 ASN 11 OK 98 98 100 100 3.4-4.1 9170/3.5=58, ~9151=49...(24) QG1 VAL 107 - HD21 ASN 11 far 0 98 0 - 6.5-7.8 QD1 ILE 15 - HD21 ASN 11 far 0 99 0 - 6.6-7.8 QD1 ILE 15 - HD22 ASN 11 far 0 99 0 - 7.5-8.6 QG1 VAL 107 - HD22 ASN 11 far 0 98 0 - 7.5-9.3 Violated in 0 structures by 0.00 A. Peak 9153 from nnoeabs.peaks (0.77, 8.59, 126.31 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.82: QD1 ILE 15 + H ASP 12 OK 82 92 90 100 4.0-4.7 9174/3.0=76, 9172=48...(12) QD2 LEU 14 - H ASP 12 far 0 90 0 - 5.0-5.6 Violated in 2 structures by 0.01 A. Peak 9157 from nnoeabs.peaks (2.64, 7.58, 121.68 ppm; 5.79 A increased from 5.15 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 12 + H LEU 14 OK 100 100 100 100 5.3-5.7 60/62=98, 1081/1972=83...(4) HB3 ASP 12 + H LEU 14 OK 70 100 70 99 5.5-6.2 4.6/62=87, 4.0/1972=72...(4) 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 2.6-4.2 1.8/9136=91, 9135=88...(9) 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 2.4-3.4 9136=85, 1.8/9158=72...(10) Violated in 0 structures by 0.00 A. Peak 9160 from nnoeabs.peaks (0.64, 7.58, 121.68 ppm; 5.75 A increased from 5.41 A): 1 out of 2 assignments used, quality = 0.95: HG13 ILE 15 + H LEU 14 OK 95 96 100 99 5.2-5.7 1100/68=87, 9165/1090=64...(4) QG1 VAL 22 - H LEU 14 far 0 98 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 9161 from nnoeabs.peaks (1.70, 7.58, 121.68 ppm; 4.65 A): 0 out of 2 assignments used, quality = 0.00: HD3 LYS 16 - H LEU 14 far 0 77 0 - 5.2-6.9 HD2 LYS 16 - H LEU 14 far 0 65 0 - 5.4-7.4 Violated in 20 structures by 1.01 A. Peak 9162 from nnoeabs.peaks (1.94, 7.58, 121.68 ppm; 5.18 A increased from 4.60 A): 1 out of 1 assignment used, quality = 0.79: HB3 LYS 17 + H LEU 14 OK 79 81 100 98 4.4-4.9 7979/3.0=68, ~7977=61...(8) Violated in 0 structures by 0.00 A. Peak 9184 from nnoeabs.peaks (1.98, 8.79, 120.96 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.83: HB2 LYS 17 + H ILE 18 OK 83 84 100 99 3.0-3.5 1.8/95=76, 4.6=58...(7) HB3 GLU 21 - H ILE 18 far 0 97 0 - 4.6-6.3 HB VAL 22 - H ILE 18 far 0 99 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9185 from nnoeabs.peaks (0.85, 8.79, 120.96 ppm; 4.14 A increased from 3.89 A): 1 out of 9 assignments used, quality = 0.93: QD1 LEU 14 + H ILE 18 OK 93 94 100 99 3.8-4.2 11676/96=64...(7) QG2 ILE 15 - H ILE 18 far 0 100 0 - 4.8-5.5 QG2 VAL 22 - H ILE 18 far 0 99 0 - 5.4-6.1 QG2 THR 9 - H ILE 18 far 0 84 0 - 5.5-5.7 QG2 VAL 117 - H ILE 18 far 0 77 0 - 5.5-6.2 QG2 ILE 57 - H ILE 18 far 0 92 0 - 6.0-6.6 HG13 ILE 57 - H ILE 18 far 0 94 0 - 6.7-7.8 QG2 ILE 5 - H ILE 18 far 0 94 0 - 8.6-9.0 QG2 VAL 107 - H ILE 18 far 0 65 0 - 8.7-9.6 Violated in 1 structures by 0.00 A. Peak 9201 from nnoeabs.peaks (2.10, 7.30, 116.28 ppm; 5.11 A increased from 4.81 A): 1 out of 3 assignments used, quality = 0.95: HG2 GLU 21 + H LYS 20 OK 95 100 100 95 3.9-5.1 1154/1869=94, 10788/2001=20 HG3 GLU 21 - H LYS 20 far 5 100 5 - 4.0-6.1 HB2 GLU 21 - H LYS 20 far 0 90 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 9202 from nnoeabs.peaks (0.84, 7.30, 116.28 ppm; 5.36 A): 1 out of 7 assignments used, quality = 0.93: QG2 VAL 22 + H LYS 20 OK 93 94 100 99 3.7-4.1 10859/3.6=82...(5) QG2 ILE 15 - H LYS 20 far 0 100 0 - 6.3-6.7 QD1 LEU 14 - H LYS 20 far 0 81 0 - 7.3-7.6 QG2 ILE 57 - H LYS 20 far 0 99 0 - 7.6-8.6 HG13 ILE 57 - H LYS 20 far 0 81 0 - 8.5-9.5 QG2 THR 9 - H LYS 20 far 0 65 0 - 8.6-8.9 QG2 ILE 5 - H LYS 20 far 0 99 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 9203 from nnoeabs.peaks (0.69, 7.30, 116.28 ppm; 6.20 A increased from 5.05 A): 1 out of 3 assignments used, quality = 0.55: QD1 ILE 57 + H LYS 20 OK 55 81 90 76 5.6-6.4 9560/3.6=51, 9555/5.0=30 QD1 LEU 55 - H LYS 20 far 9 94 10 - 6.2-6.9 QD2 LEU 81 - H LYS 20 far 0 84 0 - 9.7-10.1 Violated in 2 structures by 0.02 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 - 8.9-9.7 QG2 ILE 5 - H GLU 21 far 0 97 0 - 9.0-9.6 Violated in 20 structures by 3.32 A. Peak 9205 from nnoeabs.peaks (0.68, 7.67, 118.49 ppm; 5.15 A increased from 4.34 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 114 + H GLU 21 OK 93 97 100 96 4.5-5.1 10446/4.1=67...(3) QD1 LEU 55 - H GLU 21 far 0 97 0 - 6.4-6.7 Violated in 0 structures by 0.00 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 2.7-2.9 4.6=87, 11655/3128=63...(6) H ARG 118 - H GLU 21 far 0 90 0 - 8.2-9.3 H GLY 26 - H GLU 21 far 0 70 0 - 8.8-12.0 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; 5.33 A increased from 5.02 A): 1 out of 1 assignment used, quality = 0.83: HE21 GLN 25 + H GLY 26 OK 83 99 100 84 3.9-5.1 918/3.6=55, 9211/3.0=54...(4) Violated in 0 structures by 0.00 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 3.1-3.8 9524=78, 325/9232=71...(7) 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 = 0.82: HA ILE 54 + H GLN 28 OK 82 99 100 82 2.3-3.3 325/9230=43, 3.2/9236=34...(4) HA ILE 3 - H GLN 28 far 0 73 0 - 9.4-10.1 HA ILE 5 - H GLN 28 far 0 94 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9234 from nnoeabs.peaks (1.11, 8.34, 120.36 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.53: HB3 LYS 53 + H GLN 28 OK 53 73 100 73 3.6-5.3 11226/150=72 HG2 LYS 19 - H GLN 28 far 0 73 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 9235 from nnoeabs.peaks (0.88, 8.34, 120.36 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.66: QG2 VAL 29 + H GLN 28 OK 66 70 100 95 4.8-5.1 11140/9230=51, ~9239=50...(5) Violated in 0 structures by 0.00 A. Peak 9236 from nnoeabs.peaks (0.75, 8.34, 120.36 ppm; 5.32 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 54 + H GLN 28 OK 100 100 100 100 3.5-4.8 3.2/9232=88...(5) QD2 LEU 55 - H GLN 28 far 0 87 0 - 6.3-6.8 QD1 LEU 45 - H GLN 28 far 0 98 0 - 8.7-9.5 QD1 ILE 7 - H GLN 28 far 0 61 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 9237 from nnoeabs.peaks (0.64, 8.34, 120.36 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 54 + H GLN 28 OK 99 99 100 100 2.8-3.7 4.2/9232=65...(9) QG1 VAL 22 - H GLN 28 far 0 100 0 - 6.9-7.5 QD1 LEU 4 - H GLN 28 far 0 100 0 - 8.0-8.9 QD1 ILE 5 - H GLN 28 far 0 77 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 9242 from nnoeabs.peaks (0.70, 8.78, 123.48 ppm; 6.20 A increased from 5.67 A): 2 out of 4 assignments used, quality = 0.65: QD1 LEU 55 + H VAL 29 OK 50 81 70 89 6.1-6.6 ~9513=59, ~9516=59, ~9521=36 QD1 ILE 57 + H VAL 29 OK 29 94 40 77 6.0-6.8 9254/4.6=63, 9572/3.0=37 QD2 LEU 4 - H VAL 29 far 0 57 0 - 8.0-8.5 QG2 ILE 56 - H VAL 29 far 0 99 0 - 8.0-8.5 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 4.1-4.7 339/10680=71, 11361=70...(5) H LYS 19 - H ARG 30 far 0 94 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9254 from nnoeabs.peaks (0.69, 9.13, 127.79 ppm; 4.34 A increased from 3.86 A): 1 out of 4 assignments used, quality = 0.41: QD1 ILE 57 + H ARG 30 OK 41 57 100 72 4.1-4.3 4.9/9250=38, 2.1/1196=30...(6) QG2 ILE 56 - H ARG 30 far 0 97 0 - 4.7-5.2 QD1 LEU 55 - H ARG 30 far 0 100 0 - 5.2-5.8 QD2 LEU 4 - H ARG 30 far 0 94 0 - 6.7-7.4 Violated in 3 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 = 0.48: HB3 GLN 28 + H ARG 30 OK 48 97 95 52 4.4-5.5 160/4.6=51 HB VAL 32 - H ARG 30 far 0 81 0 - 7.7-8.5 HB2 LYS 19 - H ARG 30 far 0 100 0 - 7.8-8.7 HG12 ILE 5 - H ARG 30 far 0 70 0 - 9.3-10.1 Violated in 1 structures by 0.03 A. Peak 9273 from nnoeabs.peaks (0.76, 8.38, 121.89 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.75: QG2 VAL 32 + H ASP 31 OK 75 100 100 75 3.9-4.2 1207/4.6=53, ~11682=33 QG2 ILE 54 - H ASP 31 far 0 73 0 - 5.8-6.6 QD1 ILE 15 - H ASP 31 far 0 100 0 - 7.8-9.0 QD1 LEU 45 - H ASP 31 far 0 96 0 - 9.2-10.3 QD1 ILE 7 - H ASP 31 far 0 99 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9285 from nnoeabs.peaks (5.01, 8.44, 120.43 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.81: * HA SER 58 + H VAL 32 OK 81 100 100 81 3.3-4.0 9608/10677=37, 9584=35...(5) 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 2 assignments used, quality = 0.99: HB3 GLU 37 + H ASN 33 OK 99 100 100 99 3.3-3.6 9318/187=67, 1.8/9306=66...(8) HB3 GLN 62 - H ASN 33 far 0 96 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9306 from nnoeabs.peaks (2.28, 9.55, 122.70 ppm; 4.23 A increased from 3.98 A): 1 out of 1 assignment used, quality = 0.77: HB2 GLU 37 + H ASN 33 OK 77 77 100 100 3.8-4.0 1.8/9305=85, 9317/187=61...(8) Violated in 0 structures by 0.00 A. Peak 9307 from nnoeabs.peaks (2.46, 9.55, 122.70 ppm; 5.45 A increased from 4.84 A): 1 out of 3 assignments used, quality = 0.88: HB2 ASP 31 + H ASN 33 OK 88 99 100 88 4.9-5.2 180/4.7=73, 9315/876=35 HB3 ASP 31 - H ASN 33 far 0 99 0 - 5.6-6.8 HG3 GLU 41 - H ASN 33 far 0 99 0 - 6.6-9.4 Violated in 0 structures by 0.00 A. Peak 9314 from nnoeabs.peaks (2.48, 7.94, 114.61 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.59: HB2 ASP 31 + HD21 ASN 33 OK 59 65 100 89 3.2-4.2 9315/1.7=78, 1.8/9265=21...(5) HB3 ASP 31 - HD21 ASN 33 far 10 70 15 - 3.7-5.8 Violated in 1 structures by 0.00 A. Peak 9315 from nnoeabs.peaks (2.48, 7.02, 114.61 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.69: HB2 ASP 31 + HD22 ASN 33 OK 69 87 90 88 2.6-4.2 9314/1.7=68, 9266=31...(5) HB3 ASP 31 - HD22 ASN 33 far 13 90 15 - 3.4-5.9 Violated in 3 structures by 0.01 A. Peak 9316 from nnoeabs.peaks (2.44, 7.62, 114.89 ppm; 5.21 A increased from 4.63 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLU 37 + H ASP 34 OK 100 100 100 100 4.5-5.0 3.0/9318=96, 3.0/9317=86...(9) HG3 GLU 41 - H ASP 34 far 0 65 0 - 7.0-9.2 Violated in 0 structures by 0.00 A. Peak 9317 from nnoeabs.peaks (2.28, 7.62, 114.89 ppm; 4.11 A increased from 3.65 A): 1 out of 1 assignment used, quality = 0.94: HB2 GLU 37 + H ASP 34 OK 94 94 100 100 3.8-4.1 1.8/9318=95, 9357=79...(11) Violated in 1 structures by 0.00 A. Peak 9318 from nnoeabs.peaks (2.18, 7.62, 114.89 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.94: HB3 GLU 37 + H ASP 34 OK 94 98 100 96 2.5-2.7 1.8/9317=45, 9305/187=38...(11) HB3 GLN 62 - H ASP 34 far 0 81 0 - 8.3-9.1 HG3 GLU 66 - H ASP 34 far 0 98 0 - 9.7-10.5 Violated in 0 structures by 0.00 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 1.9-2.3 9278=71, 3.2/9322=46...(11) QG2 ILE 15 - H ASP 34 far 0 81 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9320 from nnoeabs.peaks (0.75, 7.62, 114.89 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.96: QD1 LEU 63 + H ASP 34 OK 96 98 100 98 2.4-2.7 7615=50, 11263/3.0=46...(12) QG2 VAL 32 - H ASP 34 far 0 73 0 - 4.3-4.6 QD1 ILE 15 - H ASP 34 far 0 70 0 - 9.0-10.6 QD2 LEU 6 - H ASP 34 far 0 87 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9321 from nnoeabs.peaks (4.08, 7.62, 114.89 ppm; 5.67 A increased from 5.04 A): 1 out of 1 assignment used, quality = 0.70: HA GLU 37 + H ASP 34 OK 70 70 100 100 5.4-5.7 3.0/9318=99, 2.9/9327=93...(7) Violated in 0 structures by 0.00 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 3.4-3.4 183/187=63, 3.2/9319=56...(12) HA GLU 41 - H ASP 34 far 0 96 0 - 9.9-10.4 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 4.0-4.3 11315=77, 11505/9319=62...(12) Violated in 0 structures by 0.00 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 3.8-4.1 9350=77, 1229/9318=67...(13) 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 4.7-4.9 8028/2.9=93...(6) Violated in 0 structures by 0.00 A. Peak 9334 from nnoeabs.peaks (0.72, 8.87, 114.38 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.71: QD2 LEU 63 + H SER 35 OK 71 73 100 96 2.8-3.5 9338/2.9=51...(10) QD1 LEU 63 - H SER 35 far 11 73 15 - 3.8-4.1 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 2 assignments used, quality = 0.87: HB3 GLU 37 + H ASP 36 OK 87 90 100 97 4.8-5.0 3.8/1881=93, 4.7/2030=64 HB3 GLN 62 - H ASP 36 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9341 from nnoeabs.peaks (0.72, 8.39, 124.69 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 63 + H ASP 36 OK 90 90 100 100 4.5-4.6 9338/3.6=90...(7) 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 2.8-3.6 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 = 0.95: HA ASP 34 + H ASP 36 OK 95 96 100 100 4.4-4.5 3.6/1880=87, 3.0/9343=79...(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 4.9-5.2 2035/3.0=96...(5) HE21 GLN 62 - H ASP 36 far 0 70 0 - 9.0-11.3 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 3.8-4.1 9327=100, 9318/1229=76...(13) 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 = 0.98: QD2 LEU 38 + H GLU 37 OK 95 98 100 96 5.0-5.3 1237/1882=83...(3) QG1 VAL 32 + H GLU 37 OK 72 73 100 98 3.4-3.6 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 1 assignment used, quality = 1.00: QD1 LEU 63 + H GLU 37 OK 100 100 100 100 4.7-5.2 9320/9327=85...(9) Violated in 0 structures by 0.00 A. Peak 9391 from nnoeabs.peaks (2.44, 7.83, 118.40 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.59: HG2 GLN 100 + H ILE 97 OK 44 89 50 100 5.0-7.1 10112/3.0=80, ~10894=67...(7) HG3 GLU 98 + H ILE 97 OK 27 92 30 97 6.1-6.6 1657/621=91, 4.9/2177=57 HG2 GLU 37 - H LYS 39 far 0 98 0 - 6.3-7.1 HG2 GLU 91 - H ILE 97 far 0 51 0 - 7.7-8.7 HG3 GLU 69 - H LYS 39 far 0 100 0 - 9.1-13.7 HG3 GLU 69 - H ILE 97 far 0 92 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 9392 from nnoeabs.peaks (0.88, 7.78, 119.27 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 38 + H LYS 40 OK 98 98 100 100 4.3-4.6 216/1884=84, 9390/3.6=71...(6) QG1 VAL 32 - H LYS 40 far 0 73 0 - 5.0-5.4 Violated in 0 structures by 0.00 A. Peak 9394 from nnoeabs.peaks (0.75, 8.72, 119.65 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.69: QG2 VAL 32 + H GLU 41 OK 69 73 100 95 4.0-4.5 9399/1263=71...(5) QD1 LEU 45 - H GLU 41 far 0 97 0 - 6.2-6.7 QG2 ILE 54 - H GLU 41 far 0 100 0 - 7.2-7.9 QD1 LEU 63 - H GLU 41 far 0 98 0 - 7.5-8.0 QD2 LEU 6 - H GLU 41 far 0 87 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 9411 from nnoeabs.peaks (1.50, 8.78, 118.11 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.45: HG2 LYS 43 + H MET 42 OK 45 70 100 65 4.5-5.0 4.9/244=64 HB3 LEU 45 - H MET 42 far 0 92 0 - 7.2-7.5 HG2 ARG 30 - H MET 42 far 0 100 0 - 7.4-9.7 HB3 ARG 30 - H MET 42 far 0 65 0 - 7.5-8.8 Violated in 3 structures by 0.00 A. Peak 9412 from nnoeabs.peaks (0.96, 8.78, 118.11 ppm; 6.11 A increased from 4.89 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 38 + H MET 42 OK 99 100 100 99 5.6-5.9 10992/1269=82...(4) HG13 ILE 56 - H MET 42 far 5 100 5 - 6.1-7.5 HD3 LYS 2 - H MET 42 far 0 100 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 9413 from nnoeabs.peaks (0.91, 8.78, 118.11 ppm; 4.77 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 70 + H MET 42 OK 99 99 100 99 4.2-4.8 11368/1269=76...(6) QD2 LEU 70 - H MET 42 far 0 97 0 - 5.4-5.9 HG13 ILE 54 - H MET 42 far 0 100 0 - 9.8-11.1 Violated in 2 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 4.2-4.8 9435/3.0=81...(14) QG2 VAL 32 + H MET 42 OK 43 90 50 97 4.8-5.4 9394/1886=66...(5) QG2 ILE 54 - H MET 42 far 0 98 0 - 6.4-7.6 QD2 LEU 6 - H MET 42 far 0 70 0 - 7.9-8.6 QD1 LEU 63 - H MET 42 far 0 90 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 9462 from nnoeabs.peaks (1.90, 7.71, 115.49 ppm; 4.79 A increased from 4.51 A): 1 out of 6 assignments used, quality = 0.98: HB2 LEU 45 + H GLU 47 OK 98 100 100 98 4.4-4.7 273/278=86, 3.0/2072=56...(4) HB3 LYS 43 - H GLU 47 poor 13 100 25 51 4.8-5.2 11238/1306=51 HB3 LYS 44 - H GLU 47 far 0 100 0 - 5.0-5.3 HB2 LYS 49 - H GLU 47 far 0 99 0 - 5.0-9.4 HB2 LYS 44 - H GLU 47 far 0 97 0 - 5.2-5.7 HB2 LYS 43 - H GLU 47 far 0 100 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 9464 from nnoeabs.peaks (1.79, 7.96, 119.96 ppm; 6.02 A increased from 5.07 A): 1 out of 3 assignments used, quality = 0.88: HB ILE 3 + H LYS 53 OK 88 90 100 98 4.7-5.7 9001/2.9=77, ~9004=59...(4) HB3 GLN 28 - H LYS 53 far 4 87 5 - 5.6-7.9 HG12 ILE 5 - H LYS 53 far 0 87 0 - 9.2-10.2 Violated in 0 structures by 0.00 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 96 4.2-5.1 2.2/9481=52, 9508/4.4=50...(8) Violated in 1 structures by 0.00 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 4.6-5.6 2.2/9480=96, 4719/4.4=62...(7) Violated in 0 structures by 0.00 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 2.9-3.5 10681=82, 3.8/11714=53...(10) Violated in 0 structures by 0.00 A. Peak 9506 from nnoeabs.peaks (5.06, 9.10, 130.09 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.57: HA VAL 29 + H LEU 55 OK 57 70 100 82 3.5-4.0 3.2/11140=51...(6) HA ILE 56 - H LEU 55 far 0 100 0 - 5.0-5.2 Violated in 0 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 3.8-4.7 4583/3.9=61, 4.5/9230=53...(8) Violated in 0 structures by 0.00 A. Peak 9524 from nnoeabs.peaks (8.35, 9.10, 130.09 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.96: H GLN 28 + H LEU 55 OK 96 96 100 100 3.1-3.8 9230=91, 9232/325=74...(7) 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 = 0.85: H ILE 5 + H ILE 56 OK 85 92 100 92 2.8-3.8 9525/332=66, 9527/337=54...(6) H VAL 29 - H ILE 56 far 0 100 0 - 8.0-8.3 H MET 42 - H ILE 56 far 0 99 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9530 from nnoeabs.peaks (8.93, 9.18, 125.98 ppm; 4.93 A increased from 4.64 A): 1 out of 1 assignment used, quality = 0.99: H ILE 7 + H ILE 56 OK 99 100 100 99 4.5-4.9 3.6/9535=74, 9086=64...(6) Violated in 2 structures by 0.00 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 92 3.8-4.1 9072=63, 9536/1364=44...(4) Violated in 2 structures by 0.00 A. Peak 9570 from nnoeabs.peaks (5.21, 8.54, 127.24 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.95: HA ASP 31 + H ILE 57 OK 95 100 100 95 2.5-3.6 10683=68, 179/11348=45...(6) Violated in 2 structures by 0.00 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 3.3-4.1 11348=100, 179/9570=80...(5) 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 = 1.00: H THR 9 + H SER 58 OK 100 100 100 100 4.3-4.7 9127=100, 37/9589=73 H LYS 65 - H SER 58 far 0 99 0 - 8.4-9.2 Violated in 0 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 4.25 A. Peak 9589 from nnoeabs.peaks (5.91, 8.81, 119.27 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.94: HA ASN 8 + H SER 58 OK 94 99 100 95 3.2-3.8 9091=78, 37/9127=52...(5) Violated in 0 structures by 0.00 A. Peak 9594 from nnoeabs.peaks (1.90, 8.81, 119.27 ppm; 5.26 A increased from 4.43 A): 1 out of 3 assignments used, quality = 0.81: HB ILE 7 + H SER 58 OK 81 87 100 93 4.7-5.3 2.1/9088=63, 9080/346=57...(4) HB2 LEU 81 - H SER 58 far 0 77 0 - 7.9-8.5 HB ILE 15 - H SER 58 far 0 90 0 - 8.0-9.1 Violated in 2 structures by 0.00 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 3.8-4.7 4.0/356=83, 9685/9613=65 HG3 GLU 37 - H ASN 59 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 9612 from nnoeabs.peaks (0.83, 8.79, 122.38 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.92: QG2 ILE 57 + H ASN 59 OK 92 98 100 94 4.4-4.9 348/4.6=65, 9607/353=64...(4) QG2 ILE 15 - H ASN 59 far 0 84 0 - 6.0-7.0 QD2 LEU 82 - H ASN 59 far 0 94 0 - 7.6-8.6 Violated in 0 structures by 0.00 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 3.3-4.4 9649/356=68...(7) QD2 LEU 6 - H ASN 59 far 0 99 0 - 6.7-7.8 QG2 ILE 7 - H ASN 59 far 0 99 0 - 7.6-8.3 QD2 LEU 55 - H ASN 59 far 0 100 0 - 8.7-9.1 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 9 assignments used, quality = 0.58: QD1 ILE 15 + HD21 ASN 59 OK 58 73 100 79 2.2-5.1 9618/1.7=52...(5) QD2 LEU 14 - HD21 ASN 59 far 0 70 0 - 7.3-9.2 QD1 ILE 7 - HD21 ASN 59 far 0 84 0 - 8.2-12.3 QG2 VAL 32 - HD21 ASN 59 far 0 70 0 - 8.5-11.4 QD1 LEU 80 - HD21 ASN 59 far 0 99 0 - 8.7-12.3 QD2 LEU 64 - HD21 ASN 59 far 0 100 0 - 8.7-11.6 QD1 LEU 82 - HD21 ASN 59 far 0 100 0 - 9.1-12.6 QG1 VAL 107 - HD21 ASN 59 far 0 70 0 - 9.1-12.0 QD1 LEU 81 - HD21 ASN 59 far 0 94 0 - 9.9-13.4 Violated in 1 structures by 0.00 A. Peak 9618 from nnoeabs.peaks (0.77, 6.75, 109.57 ppm; 5.64 A): 1 out of 8 assignments used, quality = 0.96: QD1 ILE 15 + HD22 ASN 59 OK 96 99 100 97 1.9-5.6 9617/1.7=73, 9176=61...(7) QD2 LEU 14 - HD22 ASN 59 far 0 98 0 - 7.1-10.2 QG2 VAL 32 - HD22 ASN 59 far 0 98 0 - 8.0-11.5 QD1 ILE 7 - HD22 ASN 59 far 0 100 0 - 8.3-12.4 QD2 LEU 64 - HD22 ASN 59 far 0 81 0 - 9.5-11.9 QD1 LEU 80 - HD22 ASN 59 far 0 98 0 - 9.7-12.4 QD1 LEU 82 - HD22 ASN 59 far 0 94 0 - 9.8-12.9 QG1 VAL 107 - HD22 ASN 59 far 0 98 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 9619 from nnoeabs.peaks (0.84, 6.75, 109.57 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.74: QG2 ILE 15 + HD22 ASN 59 OK 48 100 50 96 3.6-8.3 3.0/9618=82, ~9617=72 QG2 ILE 57 + HD22 ASN 59 OK 34 99 55 63 2.9-7.4 9612/5.4=51...(3) QG2 THR 9 + HD22 ASN 59 OK 24 65 80 45 3.3-7.2 9620/1.7=26, 9122/9623=25 HG13 ILE 57 - HD22 ASN 59 far 0 81 0 - 6.4-11.7 QD1 LEU 14 - HD22 ASN 59 far 0 81 0 - 8.3-11.6 QG2 VAL 22 - HD22 ASN 59 far 0 94 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 9620 from nnoeabs.peaks (0.86, 7.52, 109.57 ppm; 6.20 A increased from 5.83 A): 3 out of 7 assignments used, quality = 0.86: QG2 ILE 15 + HD21 ASN 59 OK 60 94 65 99 4.9-7.9 3.0/9617=90, ~9618=65...(4) QG2 THR 9 + HD21 ASN 59 OK 54 97 85 65 3.1-6.6 9122/9622=58, 9619/1.7=15 QG2 ILE 57 + HD21 ASN 59 OK 24 73 80 40 3.6-7.4 9619/1.7=21, 9612/5.4=15 HG13 ILE 57 - HD21 ASN 59 far 0 100 0 - 7.0-11.6 QD1 LEU 14 - HD21 ASN 59 far 0 100 0 - 8.3-10.8 QG1 VAL 32 - HD21 ASN 59 far 0 90 0 - 8.4-10.6 QG2 VAL 117 - HD21 ASN 59 far 0 94 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 9622 from nnoeabs.peaks (4.97, 7.52, 109.57 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.71: HA ASN 10 + HD21 ASN 59 OK 71 98 100 72 2.3-4.6 9623/1.7=61...(3) HA ASN 33 - HD21 ASN 59 far 0 99 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 9623 from nnoeabs.peaks (4.98, 6.75, 109.57 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.84: HA ASN 10 + HD22 ASN 59 OK 84 90 100 94 2.0-5.4 9622/1.7=92...(3) HA ASN 33 - HD22 ASN 59 far 0 100 0 - 5.6-8.9 Violated in 1 structures by 0.00 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 2.7-3.9 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): 1 out of 2 assignments used, quality = 0.63: HA SER 58 + H ASP 60 OK 63 65 100 96 3.6-3.8 3.6/356=66, 3.0/9632=55...(4) HA ASN 33 - H ASP 60 far 0 87 0 - 4.3-5.3 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 = 0.84: HG SER 58 + H ASP 60 OK 84 90 100 94 2.1-3.1 9624/356=49, 2.8/9632=49...(5) Violated in 0 structures by 0.00 A. Peak 9632 from nnoeabs.peaks (3.78, 7.86, 119.74 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: HB2 SER 58 + H ASP 60 OK 100 100 100 100 3.8-4.5 2.8/9630=77, 3.0/9629=69...(8) HA LYS 65 - H ASP 60 far 0 73 0 - 9.5-10.4 Violated in 2 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 3.9-4.3 1.8/9632=93, 2.8/9630=90...(7) 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 3.6-5.4 1.7/10748=80...(4) Violated in 1 structures by 0.00 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 3.3-5.5 10748=100, 1.7/9634=96...(4) Violated in 0 structures by 0.00 A. Peak 9646 from nnoeabs.peaks (1.88, 7.86, 119.74 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.86: HB2 LEU 63 + H ASP 60 OK 86 90 100 96 3.0-3.7 3.1/9649=66, 9674/4.0=37...(7) QE MET 67 - H ASP 60 far 0 100 0 - 5.8-6.8 HB ILE 7 - H ASP 60 far 0 92 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 9647 from nnoeabs.peaks (1.61, 7.86, 119.74 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.92: HG LEU 63 + H ASP 60 OK 92 92 100 100 4.3-5.2 2.1/9649=100...(6) HB3 LEU 64 - H ASP 60 poor 20 61 100 32 5.2-6.3 9598/9632=23, 9603/9633=10 Violated in 0 structures by 0.00 A. Peak 9648 from nnoeabs.peaks (1.42, 7.86, 119.74 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: HB3 LEU 63 + H ASP 60 OK 98 98 100 100 4.3-5.3 1.8/9646=100...(5) HB3 LYS 61 - H ASP 60 far 0 87 0 - 6.4-6.9 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 4 assignments used, quality = 0.97: QD1 LEU 63 + H ASP 60 OK 97 99 100 98 3.0-4.0 3.1/9646=54...(8) QD2 LEU 6 - H ASP 60 far 0 100 0 - 6.9-7.7 QG2 ILE 7 - H ASP 60 far 0 96 0 - 8.3-8.9 QD2 LEU 55 - H ASP 60 far 0 100 0 - 9.8-10.3 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 3.6-6.1 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 4.3-6.2 1.7/9654=85, ~9657=59 Violated in 0 structures by 0.00 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 4.4-5.0 4.0/1905=88, 4.6/2082=55...(5) QE MET 67 - H GLN 62 far 0 57 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 9664 from nnoeabs.peaks (1.63, 8.43, 118.92 ppm; 5.20 A increased from 4.38 A): 2 out of 4 assignments used, quality = 0.99: HB3 LEU 64 + H GLN 62 OK 94 100 100 94 4.6-5.0 8099/3.6=83, 1418/2082=67 HG LEU 63 + H GLN 62 OK 80 87 95 97 4.6-5.3 4730/1905=75...(4) HD3 LYS 65 - H GLN 62 poor 17 61 35 80 4.2-6.6 ~8105=33, ~8107=33...(4) HG LEU 64 - H GLN 62 far 0 92 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 9665 from nnoeabs.peaks (0.75, 8.43, 118.92 ppm; 6.12 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 63 + H GLN 62 OK 98 98 100 100 5.5-5.8 1414/1905=94...(6) QD2 LEU 6 - H GLN 62 far 0 87 0 - 8.7-9.3 QG2 VAL 32 - H GLN 62 far 0 73 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 9671 from nnoeabs.peaks (0.88, 7.67, 120.07 ppm; 6.20 A increased from 5.30 A): 2 out of 2 assignments used, quality = 0.97: QG1 VAL 32 + H LEU 63 OK 92 92 100 100 5.7-6.2 11260/1411=90...(3) QD2 LEU 38 + H LEU 63 OK 69 87 80 100 6.0-6.3 11252/2.9=98...(5) Violated in 0 structures by 0.00 A. Peak 9672 from nnoeabs.peaks (2.57, 7.67, 120.07 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 60 + H LEU 63 OK 100 100 100 100 2.2-4.2 1.8/9673=90, 9628=81...(7) HG2 MET 67 - H LEU 63 far 0 100 0 - 9.0-9.7 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 1 assignment used, quality = 0.69: HB2 ASP 60 + H LEU 63 OK 69 70 100 100 2.3-4.0 1.8/9672=69...(8) Violated in 0 structures by 0.00 A. Peak 9696 from nnoeabs.peaks (0.88, 7.80, 119.36 ppm; 5.28 A increased from 4.44 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 38 + H GLU 66 OK 98 98 100 100 4.9-5.0 11060/3.7=88...(8) QG1 VAL 32 - H GLU 66 far 0 73 0 - 7.5-7.8 QG2 VAL 104 - H GLU 66 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9698 from nnoeabs.peaks (1.60, 8.39, 118.40 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.61: HG LEU 68 + H MET 67 OK 61 70 100 88 4.0-4.6 5.3/414=58...(6) HG LEU 63 - H MET 67 far 0 77 0 - 6.7-7.1 HG2 LYS 73 - H MET 67 far 0 96 0 - 9.4-11.0 Violated in 0 structures by 0.00 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 2.2-2.6 10998=91, 9723/4948=61...(13) HG13 ILE 56 - H MET 67 far 0 97 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 9700 from nnoeabs.peaks (0.90, 8.39, 118.40 ppm; 4.08 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 70 + H MET 67 OK 92 97 100 95 3.6-4.1 9702/2.9=69, ~9770=30...(8) QD2 LEU 38 - H MET 67 far 14 92 15 - 4.1-4.4 QD2 LEU 70 - H MET 67 far 0 99 0 - 6.0-6.5 QG2 VAL 104 - H MET 67 far 0 77 0 - 9.7-10.4 Violated in 2 structures by 0.00 A. Peak 9701 from nnoeabs.peaks (0.74, 8.39, 118.40 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.99: QD2 LEU 6 + H MET 67 OK 99 100 100 99 4.7-5.1 11610/1441=74...(7) QD1 LEU 63 - H MET 67 far 0 99 0 - 6.2-6.7 QD1 LEU 45 - H MET 67 far 0 70 0 - 8.0-8.5 QG2 VAL 78 - H MET 67 far 0 87 0 - 8.1-8.8 QD2 LEU 45 - H MET 67 far 0 87 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9756 from nnoeabs.peaks (0.70, 8.47, 118.27 ppm; 5.18 A increased from 4.36 A): 1 out of 3 assignments used, quality = 0.89: QD1 LEU 6 + H LEU 68 OK 89 90 100 100 4.7-4.9 9766/1450=78...(9) QG2 ILE 56 - H LEU 68 far 0 92 0 - 6.2-7.0 QD2 LEU 63 - H LEU 68 far 0 99 0 - 6.8-7.5 Violated in 0 structures by 0.00 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 0 98 0 - 8.2-8.5 Violated in 20 structures by 2.22 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 GLU 69 + H SER 72 OK 91 92 100 99 4.7-4.9 2.9/2122=86, 3.6/2123=63...(6) H LEU 74 + H SER 72 OK 87 96 100 91 3.7-4.5 452/1915=77, 9790/3.6=57...(5) H GLN 100 - H SER 72 far 0 98 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9814 from nnoeabs.peaks (0.83, 7.72, 120.73 ppm; 5.35 A increased from 4.76 A): 2 out of 3 assignments used, quality = 0.86: QG2 ILE 71 + H LYS 73 OK 69 70 100 99 4.8-5.2 4.1/1915=78, 3.2/2124=64...(5) QD1 LEU 74 + H LYS 73 OK 53 70 90 85 4.8-5.5 4.8/452=73, 9819/2124=33...(4) QD2 LEU 74 - H LYS 73 far 4 77 5 - 5.4-5.9 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 = 0.97: H LEU 74 + H TYR 76 OK 97 99 100 97 4.1-4.5 462/469=74, 3.8/9832=48...(5) HD21 ASN 50 - H TYR 76 far 0 57 0 - 8.6-18.3 Violated in 1 structures by 0.00 A. Peak 9829 from nnoeabs.peaks (1.91, 7.37, 118.45 ppm; 5.78 A increased from 5.44 A): 1 out of 4 assignments used, quality = 0.81: HB ILE 71 + H TYR 76 OK 81 84 100 97 5.4-5.8 2.1/9797=95, 9794/4.4=42 HB2 LYS 73 - H TYR 76 far 0 81 0 - 6.5-8.5 HB3 LYS 73 - H TYR 76 far 0 77 0 - 7.5-8.5 HB2 LEU 45 - H TYR 76 far 0 99 0 - 7.9-8.3 Violated in 3 structures by 0.00 A. Peak 9830 from nnoeabs.peaks (1.66, 7.37, 118.45 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: HD3 LYS 49 - H TYR 76 far 0 98 0 - 8.3-18.7 HD2 LYS 49 - H TYR 76 far 0 98 0 - 9.2-18.0 Violated in 20 structures by 6.60 A. Peak 9831 from nnoeabs.peaks (1.47, 7.37, 118.45 ppm; 5.05 A): 1 out of 5 assignments used, quality = 0.99: HB2 LEU 74 + H TYR 76 OK 99 100 100 100 2.5-3.4 1.8/9832=81, 4.6/469=67...(6) HG LEU 4 - H TYR 76 far 0 65 0 - 6.0-6.5 HG3 LYS 73 - H TYR 76 far 0 94 0 - 6.4-8.7 HB3 LEU 45 - H TYR 76 far 0 70 0 - 7.3-8.1 HG2 LYS 49 - H TYR 76 far 0 90 0 - 9.0-17.4 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 = 0.98: HB3 LEU 74 + H TYR 76 OK 98 99 100 99 2.9-3.9 1.8/9831=80, 4.6/469=67...(5) 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; 5.57 A increased from 4.95 A): 1 out of 2 assignments used, quality = 0.96: QD1 LEU 4 + H TYR 76 OK 96 97 100 99 4.9-5.5 4617/1503=87...(5) QD1 ILE 71 - H TYR 76 far 0 99 0 - 6.0-6.5 Violated in 0 structures by 0.00 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 78 4.8-5.3 9034=57, 4.4/9856=47 Violated in 2 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 = 0.64: QG2 ILE 3 + H LYS 77 OK 64 92 100 70 4.4-5.7 4.4/9846=70 HG2 LYS 2 - H LYS 77 far 10 100 10 - 5.5-8.7 Violated in 0 structures by 0.00 A. Peak 9870 from nnoeabs.peaks (6.97, 7.83, 124.07 ppm; 5.64 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 102 + H VAL 78 OK 89 90 100 100 3.1-4.2 4698=84, 9872/1516=81...(5) HZ PHE 79 - H VAL 78 far 0 70 0 - 6.4-6.9 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 4.3-5.0 9041/491=86, 9033=85...(6) H LEU 81 - H PHE 79 far 0 73 0 - 6.5-6.9 Violated in 0 structures by 0.00 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 2.9-3.2 9070=100, 16/9894=67...(8) 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 = 0.97: * HA ILE 5 + H PHE 79 OK 97 100 100 97 2.4-2.6 3.2/9899=54, 16/9070=53...(10) HA ILE 3 - H PHE 79 far 0 97 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 9899 from nnoeabs.peaks (0.83, 8.37, 126.17 ppm; 4.54 A): 1 out of 6 assignments used, quality = 0.83: QG2 ILE 5 + H PHE 79 OK 83 84 100 99 3.6-4.1 3.2/9894=66, 4.4/9070=49...(8) HG13 ILE 5 - H PHE 79 far 3 65 5 - 4.5-5.2 QG2 ILE 71 - H PHE 79 far 0 90 0 - 5.3-5.6 QD1 LEU 64 - H PHE 79 far 0 81 0 - 8.1-8.6 QD1 LEU 74 - H PHE 79 far 0 90 0 - 9.1-9.5 QD2 LEU 82 - H PHE 79 far 0 100 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 9900 from nnoeabs.peaks (1.45, 8.37, 126.17 ppm; 5.15 A increased from 4.58 A): 2 out of 6 assignments used, quality = 0.97: HB2 LEU 4 + H PHE 79 OK 89 92 100 97 4.6-5.2 11529/7703=72...(5) HB3 LEU 6 + H PHE 79 OK 73 90 100 82 4.8-5.2 3.9/9070=67...(3) HB3 LEU 4 - H PHE 79 far 0 92 0 - 5.8-6.4 HG LEU 4 - H PHE 79 far 0 99 0 - 6.1-6.7 HG12 ILE 7 - H PHE 79 far 0 87 0 - 7.5-7.9 HG LEU 80 - H PHE 79 far 0 98 0 - 8.0-8.2 Violated in 0 structures by 0.00 A. Peak 9916 from nnoeabs.peaks (0.64, 8.60, 123.96 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.80: QD1 ILE 5 + H LEU 80 OK 80 81 100 99 5.1-5.8 11380/496=88...(5) QD1 ILE 71 - H LEU 80 far 0 73 0 - 6.3-7.5 QD1 LEU 4 - H LEU 80 far 0 99 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 9926 from nnoeabs.peaks (5.23, 8.60, 123.96 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 104 + H LEU 80 OK 99 100 100 99 3.5-3.9 10682=95, 10220/3.8=53...(5) Violated in 0 structures by 0.00 A. Peak 9941 from nnoeabs.peaks (9.22, 9.06, 126.69 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.76: H LEU 6 + H LEU 81 OK 76 77 100 98 4.5-4.7 9939/504=64, 9071=62...(7) Violated in 0 structures by 0.00 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 4.8-5.1 4738=78, 4727/1537=70...(10) QE PHE 93 - H LEU 81 far 0 77 0 - 7.6-8.1 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 2.5-2.7 2492/509=56, 9085=50...(11) HA VAL 78 - H LEU 81 far 0 77 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 9968 from nnoeabs.peaks (0.89, 8.86, 124.89 ppm; 4.55 A increased from 4.04 A): 1 out of 3 assignments used, quality = 0.76: QD1 LEU 90 + H LEU 82 OK 76 94 100 81 4.2-4.5 11574/9974=44...(5) QD2 LEU 90 - H LEU 82 far 0 87 0 - 4.8-5.3 QG2 VAL 104 - H LEU 82 far 0 92 0 - 4.8-5.3 Violated in 0 structures by 0.00 A. Peak 9974 from nnoeabs.peaks (5.58, 8.86, 124.89 ppm; 4.04 A increased from 3.80 A): 1 out of 1 assignment used, quality = 0.98: * HA LYS 106 + H LEU 82 OK 98 100 100 98 3.6-4.1 10293=77, 11401/515=56...(6) Violated in 3 structures by 0.00 A. Peak 9984 from nnoeabs.peaks (8.56, 8.86, 124.89 ppm; 5.06 A increased from 4.76 A): 1 out of 1 assignment used, quality = 0.96: H VAL 107 + H LEU 82 OK 96 100 100 96 4.7-5.1 677/9974=85, 11402/515=75 Violated in 3 structures by 0.00 A. Peak 9985 from nnoeabs.peaks (8.69, 8.86, 124.89 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.64: H ARG 105 + H LEU 82 OK 64 70 100 92 2.9-3.5 10686/511=63...(3) H GLU 98 - H LEU 82 far 0 65 0 - 9.4-10.1 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 2 assignments used, quality = 0.96: H ASN 8 + H GLN 83 OK 96 99 100 97 4.2-4.5 9094/518=69...(5) H GLN 85 - H GLN 83 far 0 84 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 9997 from nnoeabs.peaks (4.31, 8.44, 122.15 ppm; 4.82 A increased from 4.54 A): 1 out of 1 assignment used, quality = 0.86: HB THR 9 + H GLN 83 OK 86 90 100 96 4.4-4.6 3.0/10691=71...(4) Violated in 0 structures by 0.00 A. Peak 10002 from nnoeabs.peaks (4.77, 7.20, 110.45 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.58: HA THR 108 + HE21 GLN 83 OK 58 77 100 75 3.1-3.7 3.2/10334=35...(6) HA THR 108 - HE22 GLN 83 far 0 77 0 - 4.6-5.4 Violated in 0 structures by 0.00 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 95 3.7-4.3 9971/522=65...(4) HB3 ASN 59 - H GLN 83 far 0 73 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. Peak 10014 from nnoeabs.peaks (1.25, 7.20, 110.45 ppm; 5.64 A increased from 5.31 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 108 + HE21 GLN 83 OK 99 99 100 100 5.0-5.3 10334=98, 3.2/10002=91...(4) QG2 THR 108 - HE22 GLN 83 far 0 99 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 10015 from nnoeabs.peaks (0.87, 7.20, 110.45 ppm; 4.45 A): 2 out of 10 assignments used, quality = 0.78: QD1 LEU 14 + HE22 GLN 83 OK 64 84 85 90 4.0-6.1 2.1/10016=42, ~10016=30...(9) QG2 VAL 107 + HE21 GLN 83 OK 37 99 40 94 3.9-5.0 10012/3.5=46, 10313=44...(9) QD1 LEU 14 - HE21 GLN 83 far 0 84 0 - 4.7-5.6 QG2 VAL 107 - HE22 GLN 83 far 0 99 0 - 4.9-6.3 QG2 THR 9 - HE22 GLN 83 far 0 94 0 - 5.4-6.4 QG2 THR 9 - HE21 GLN 83 far 0 94 0 - 6.3-6.7 QD2 LEU 90 - HE21 GLN 83 far 0 92 0 - 6.4-7.3 QD2 LEU 90 - HE22 GLN 83 far 0 92 0 - 7.1-8.5 QG2 VAL 117 - HE22 GLN 83 far 0 97 0 - 8.7-10.4 QG2 VAL 117 - HE21 GLN 83 far 0 97 0 - 8.9-9.7 Violated in 3 structures by 0.02 A. Peak 10016 from nnoeabs.peaks (0.77, 7.20, 110.45 ppm; 3.97 A): 2 out of 10 assignments used, quality = 1.00: QD2 LEU 14 + HE22 GLN 83 OK 94 98 100 96 1.9-4.0 11007/3.5=43...(12) QD2 LEU 14 + HE21 GLN 83 OK 94 98 100 96 3.1-4.0 11007/3.5=43...(12) QG1 VAL 107 - HE21 GLN 83 far 0 98 0 - 4.3-4.7 QG1 VAL 107 - HE22 GLN 83 far 0 98 0 - 5.1-5.7 QD1 ILE 15 - HE22 GLN 83 far 0 99 0 - 6.3-8.5 QD1 ILE 15 - HE21 GLN 83 far 0 99 0 - 7.5-9.5 QD1 ILE 7 - HE22 GLN 83 far 0 100 0 - 9.4-10.8 QD1 LEU 82 - HE21 GLN 83 far 0 94 0 - 9.6-10.1 QD1 ILE 7 - HE21 GLN 83 far 0 100 0 - 9.8-10.5 QD1 LEU 82 - HE22 GLN 83 far 0 94 0 - 9.8-10.7 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 3.2-3.6 3.2/10023=92, 10336=86...(7) HG3 LYS 61 - H ASP 84 far 0 73 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 10020 from nnoeabs.peaks (0.89, 8.21, 124.45 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.95: QD2 LEU 90 + H ASP 84 OK 95 98 100 97 2.7-2.9 2.1/11577=48, 10976=47...(8) QD1 LEU 90 - H ASP 84 far 0 77 0 - 4.0-4.3 QG2 VAL 104 - H ASP 84 far 0 99 0 - 9.3-10.3 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 = 0.97: QG1 VAL 107 + H ASP 84 OK 97 98 100 99 3.5-3.9 10310/525=63...(10) QD1 LEU 82 - H ASP 84 far 0 94 0 - 6.2-6.7 QD2 LEU 14 - H ASP 84 far 0 98 0 - 7.0-7.5 QD1 LEU 80 - H ASP 84 far 0 98 0 - 8.4-9.2 QD2 LEU 80 - H ASP 84 far 0 97 0 - 9.5-10.1 QD1 ILE 15 - H ASP 84 far 0 99 0 - 9.6-11.4 QD2 LEU 64 - H ASP 84 far 0 81 0 - 10.0-10.7 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 = 0.95: * HA THR 108 + H ASP 84 OK 95 100 100 95 3.1-3.7 10000/528=37...(8) Violated in 0 structures by 0.00 A. Peak 10029 from nnoeabs.peaks (0.88, 8.62, 120.20 ppm; 5.30 A increased from 4.72 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 90 + H GLN 85 OK 100 100 100 100 4.8-5.3 10026/533=79...(5) QG2 VAL 107 - H GLN 85 far 0 77 0 - 7.3-8.1 Violated in 0 structures by 0.00 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 4.1-4.9 10338=92, 10331/3.6=83...(6) Violated in 0 structures by 0.00 A. Peak 10046 from nnoeabs.peaks (0.90, 8.69, 120.51 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.58: QD2 LEU 90 + H ASP 86 OK 58 70 100 84 4.3-4.6 10026/11408=42...(6) QD1 LEU 90 - H ASP 86 far 0 99 0 - 5.7-6.0 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 4.6-4.9 10054/3.0=83...(9) QG2 VAL 107 - H GLU 87 far 0 96 0 - 9.3-10.1 Violated in 0 structures by 0.00 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 3.5-3.7 7741/548=59, 10071/1931=37 Violated in 0 structures by 0.00 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 99 4.4-4.5 4.0/1932=93, 4.6/2138=72 Violated in 0 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 4.4-4.8 10058/1931=63...(3) Violated in 3 structures by 0.00 A. Peak 10077 from nnoeabs.peaks (2.94, 7.94, 119.03 ppm; 5.67 A increased from 5.34 A): 2 out of 5 assignments used, quality = 0.78: HE3 LYS 106 + H GLU 91 OK 72 87 100 82 3.8-5.6 11469/1599=56...(5) HE2 LYS 106 + H GLU 91 OK 23 90 40 65 4.7-6.8 11183/4.6=36, ~11540=24...(4) HB2 ASP 86 - H GLU 91 far 0 81 0 - 5.9-6.4 HE3 LYS 96 - H GLU 91 far 0 90 0 - 8.8-14.0 HE2 LYS 96 - H GLU 91 far 0 90 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 10079 from nnoeabs.peaks (3.04, 8.09, 118.67 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.89: HB3 PHE 93 + H GLU 92 OK 89 94 100 94 5.2-5.5 1612/4.6=80, 4.3/2146=72 Violated in 0 structures by 0.00 A. Peak 10096 from nnoeabs.peaks (1.65, 8.61, 118.94 ppm; 5.03 A increased from 4.23 A): 1 out of 3 assignments used, quality = 0.97: HG LEU 90 + H LYS 94 OK 97 98 100 99 4.5-4.9 2.1/10099=91, ~10101=56...(4) HD2 LYS 65 - H LYS 94 far 0 94 0 - 8.7-11.7 HD3 LYS 65 - H LYS 94 far 0 98 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 10097 from nnoeabs.peaks (1.87, 8.61, 118.94 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.82: HG2 ARG 95 + H LYS 94 OK 82 96 100 86 4.0-4.5 1631/1937=77...(3) Violated in 0 structures by 0.00 A. Peak 10098 from nnoeabs.peaks (1.94, 8.61, 118.94 ppm; 4.67 A): 0 out of 1 assignment used, quality = 0.00: HB VAL 104 - H LYS 94 far 0 94 0 - 6.4-7.3 Violated in 20 structures by 2.25 A. Peak 10099 from nnoeabs.peaks (0.90, 8.61, 118.94 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 90 + H LYS 94 OK 99 99 100 99 3.1-3.5 10101/3.0=65...(12) QG2 VAL 104 - H LYS 94 far 0 77 0 - 5.6-6.3 QD2 LEU 90 - H LYS 94 far 0 70 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 10100 from nnoeabs.peaks (0.78, 8.61, 118.94 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.97: QD1 LEU 82 + H LYS 94 OK 97 99 100 98 3.5-4.0 11491/3.0=50...(9) QD2 LEU 80 - H LYS 94 far 0 98 0 - 6.1-6.6 QD2 LEU 64 - H LYS 94 far 0 100 0 - 7.1-7.3 QD1 LEU 80 - H LYS 94 far 0 97 0 - 7.5-8.1 QD1 LEU 81 - H LYS 94 far 0 97 0 - 9.1-9.7 QG1 VAL 107 - H LYS 94 far 0 61 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10164 from nnoeabs.peaks (3.95, 7.29, 110.23 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.86: HA ILE 97 + HE21 GLN 100 OK 86 87 100 99 2.2-5.0 10165/1.7=65...(7) HA MET 67 - HE21 GLN 100 far 0 100 0 - 9.3-12.1 Violated in 1 structures by 0.00 A. Peak 10165 from nnoeabs.peaks (3.94, 6.75, 110.23 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.99: HA ILE 97 + HE22 GLN 100 OK 99 100 100 99 3.1-5.2 10164/1.7=75...(7) HA MET 67 - HE22 GLN 100 far 0 97 0 - 7.8-11.7 Violated in 1 structures by 0.00 A. Peak 10166 from nnoeabs.peaks (4.33, 6.89, 117.99 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.86: HA GLU 98 + H TYR 102 OK 86 100 90 96 3.5-5.1 11168=87, 10135/10151=42 HA SER 99 - H TYR 102 far 0 94 0 - 5.8-6.8 Violated in 3 structures by 0.02 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 3.5-3.9 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 5.3-5.9 4693/4699=83...(4) QD1 ILE 116 - H GLU 103 far 0 99 0 - 10.0-10.9 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 = 0.75: H LEU 82 + H ARG 105 OK 75 84 100 89 2.9-3.5 3.6/10685=74...(3) Violated in 0 structures by 0.00 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 3.8-4.5 4701=100, 4711/10685=62...(8) Violated in 0 structures by 0.00 A. Peak 10267 from nnoeabs.peaks (0.79, 8.71, 124.86 ppm; 4.06 A): 1 out of 6 assignments used, quality = 0.98: QD1 LEU 81 + H ARG 105 OK 98 99 100 99 3.1-3.4 5538/10685=70...(9) QD1 LEU 82 - H ARG 105 far 0 97 0 - 4.2-5.2 QD1 LEU 80 - H ARG 105 far 0 92 0 - 4.3-5.3 QD2 LEU 80 - H ARG 105 far 0 94 0 - 4.7-5.4 QD1 ILE 7 - H ARG 105 far 0 65 0 - 7.8-8.3 QD2 LEU 64 - H ARG 105 far 0 100 0 - 7.9-8.8 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 = 0.94: HB3 LEU 80 + H ARG 105 OK 94 98 100 96 4.1-4.5 11088/667=65...(4) Violated in 0 structures by 0.00 A. Peak 10279 from nnoeabs.peaks (0.88, 8.81, 121.50 ppm; 5.18 A increased from 4.61 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 90 + H LYS 106 OK 100 100 100 100 4.4-5.1 10282/3.0=79...(12) QG2 VAL 107 - H LYS 106 far 0 84 0 - 6.1-6.3 QG2 VAL 104 - H LYS 106 far 0 100 0 - 6.7-7.0 QG2 VAL 117 - H LYS 106 far 0 73 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 10280 from nnoeabs.peaks (0.77, 8.81, 121.50 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.62: QD1 LEU 81 + H LYS 106 OK 62 70 100 90 4.1-4.5 11401/3.0=42...(6) QG1 VAL 107 - H LYS 106 far 0 94 0 - 4.8-5.4 QD1 LEU 82 - H LYS 106 far 0 98 0 - 6.0-6.7 QD1 LEU 80 - H LYS 106 far 0 100 0 - 7.6-8.7 QD2 LEU 80 - H LYS 106 far 0 99 0 - 7.9-8.6 QD1 ILE 7 - H LYS 106 far 0 99 0 - 10.0-10.5 Violated in 1 structures by 0.00 A. Peak 10281 from nnoeabs.peaks (0.66, 8.81, 121.50 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.62: QD1 ILE 116 + H LYS 106 OK 62 70 100 90 4.7-5.4 10277/7846=55...(5) QG2 ILE 97 - H LYS 106 far 0 61 0 - 9.3-9.8 Violated in 1 structures by 0.00 A. Peak 10302 from nnoeabs.peaks (5.26, 8.55, 118.79 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.93: * HA GLN 83 + H VAL 107 OK 93 100 100 93 2.7-3.0 9990=57, 10310/1714=46...(6) HA LEU 81 - H VAL 107 far 0 94 0 - 6.0-6.6 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 = 0.95: HA VAL 107 + H ASP 109 OK 95 99 100 96 3.6-3.8 687/691=74, 3.2/10354=68...(4) Violated in 0 structures by 0.00 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 83 87 100 96 4.9-5.7 10000/3.6=67...(5) HG2 GLU 112 + H ASP 109 OK 79 84 100 95 3.0-5.1 3.0/11541=59...(7) HG3 GLU 112 + H ASP 109 OK 76 81 100 94 3.4-5.7 3.0/11541=59...(7) Violated in 0 structures by 0.00 A. Peak 10352 from nnoeabs.peaks (2.11, 8.04, 122.57 ppm; 3.43 A): 0 out of 3 assignments used, quality = 0.00: HG3 GLN 83 - H ASP 109 far 0 90 0 - 4.5-5.3 HB VAL 107 - H ASP 109 far 0 92 0 - 4.7-5.2 HB2 GLU 111 - H ASP 109 far 0 97 0 - 6.0-8.1 Violated in 20 structures by 0.93 A. Peak 10354 from nnoeabs.peaks (0.87, 8.04, 122.57 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.97: QG2 VAL 107 + H ASP 109 OK 97 99 100 98 2.1-2.5 10297=58, 7858/691=49...(15) QD1 LEU 14 - H ASP 109 far 0 84 0 - 6.1-6.7 QD2 LEU 90 - H ASP 109 far 0 92 0 - 6.6-7.2 QG2 VAL 117 - H ASP 109 far 0 97 0 - 9.1-9.6 QG2 THR 9 - H ASP 109 far 0 94 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10355 from nnoeabs.peaks (0.77, 8.04, 122.57 ppm; 4.74 A increased from 4.21 A): 1 out of 3 assignments used, quality = 0.94: QG1 VAL 107 + H ASP 109 OK 94 94 100 100 4.3-4.5 2.1/10354=98...(12) QD2 LEU 14 - H ASP 109 far 0 94 0 - 6.2-6.6 QD1 LEU 81 - H ASP 109 far 0 70 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 10365 from nnoeabs.peaks (2.10, 8.70, 122.85 ppm; 5.15 A increased from 4.34 A): 2 out of 4 assignments used, quality = 0.99: HB2 GLU 111 + H ASP 110 OK 98 100 100 98 4.5-5.2 1729/1953=92...(3) HB3 GLU 112 + H ASP 110 OK 62 81 80 96 5.0-6.1 4.0/2180=69...(7) HB2 GLU 112 - H ASP 110 far 0 84 0 - 5.4-7.4 HB VAL 107 - H ASP 110 far 0 61 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 10367 from nnoeabs.peaks (1.41, 8.70, 122.85 ppm; 5.14 A increased from 4.83 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 113 + H ASP 110 OK 100 100 100 100 4.8-5.1 8233/3.0=95...(13) HB3 GLN 83 - H ASP 110 far 0 97 0 - 7.7-8.7 HG3 LYS 17 - H ASP 110 far 0 73 0 - 9.3-10.1 HB3 LEU 114 - H ASP 110 far 0 73 0 - 9.3-9.6 Violated in 2 structures by 0.00 A. Peak 10368 from nnoeabs.peaks (0.86, 8.70, 122.85 ppm; 4.98 A increased from 4.43 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 14 + H ASP 110 OK 99 99 100 100 4.4-5.0 9168/3.0=89...(8) QG2 VAL 107 + H ASP 110 OK 92 99 95 98 4.6-5.1 10364/698=62...(7) QG2 THR 9 - H ASP 110 far 0 100 0 - 8.6-9.4 QG2 VAL 117 - H ASP 110 far 0 100 0 - 9.5-9.9 QD2 LEU 90 - H ASP 110 far 0 61 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10369 from nnoeabs.peaks (0.76, 8.70, 122.85 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 14 + H ASP 110 OK 100 100 100 100 3.8-4.7 10372/3.0=84, ~10371=57...(7) QG1 VAL 107 - H ASP 110 far 0 100 0 - 6.2-6.7 QG2 ILE 7 - H ASP 110 far 0 61 0 - 9.3-9.8 QD1 ILE 15 - H ASP 110 far 0 100 0 - 9.7-11.9 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 = 0.98: HB2 ASP 109 + H GLU 111 OK 98 99 100 100 3.6-4.8 4.4/1953=94...(4) Violated in 0 structures by 0.00 A. Peak 10397 from nnoeabs.peaks (1.65, 8.23, 121.40 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.99: HG LEU 114 + H GLU 112 OK 99 100 100 99 4.3-4.9 11192/3.6=84...(5) HD2 LYS 115 - H GLU 112 far 0 96 0 - 5.5-6.6 HD3 LYS 115 - H GLU 112 far 0 90 0 - 6.5-8.0 HB ILE 116 - H GLU 112 far 0 65 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 10398 from nnoeabs.peaks (1.42, 8.23, 121.40 ppm; 4.43 A increased from 4.17 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 113 + H GLU 112 OK 97 97 100 100 4.0-4.3 2.9/709=86, 10406=84...(10) HB3 GLN 83 - H GLU 112 far 0 100 0 - 7.8-8.8 HG3 LYS 17 - H GLU 112 far 0 87 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 10399 from nnoeabs.peaks (0.88, 8.23, 121.40 ppm; 4.25 A): 1 out of 5 assignments used, quality = 0.93: QG2 VAL 107 + H GLU 112 OK 93 96 100 97 3.4-3.8 10295=48, 10898/10406=41...(11) QD1 LEU 14 - H GLU 112 far 0 70 0 - 4.4-5.3 QG2 VAL 117 - H GLU 112 far 0 90 0 - 7.6-8.1 QG2 THR 9 - H GLU 112 far 0 84 0 - 9.1-9.9 QD2 LEU 90 - H GLU 112 far 0 98 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10400 from nnoeabs.peaks (0.78, 8.23, 121.40 ppm; 4.69 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 107 - H GLU 112 far 0 70 0 - 5.5-6.0 QD2 LEU 14 - H GLU 112 far 0 70 0 - 5.5-6.5 QD1 LEU 81 - H GLU 112 far 0 94 0 - 7.1-7.9 QD1 ILE 7 - H GLU 112 far 0 84 0 - 9.6-10.3 Violated in 20 structures by 0.40 A. Peak 10402 from nnoeabs.peaks (2.72, 8.23, 121.40 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.91: HB3 ASP 109 + H GLU 112 OK 91 96 100 95 2.1-3.1 1.8/10403=59...(11) Violated in 0 structures by 0.00 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 2.3-3.8 1.8/10402=90...(9) 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 4.9-5.1 3.0/2187=98, 2180/709=93...(8) H ARG 105 - H VAL 117 far 0 72 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 10430 from nnoeabs.peaks (1.74, 8.12, 120.23 ppm; 4.69 A increased from 4.17 A): 1 out of 8 assignments used, quality = 0.73: HG2 ARG 118 + H VAL 117 OK 73 90 100 82 4.0-4.7 4.5/1960=68, 751/2215=39 HB2 LEU 114 - H ALA 113 far 0 95 0 - 5.3-5.5 HB2 LEU 114 - H VAL 117 far 0 99 0 - 5.3-6.0 HG3 ARG 105 - H VAL 117 far 0 87 0 - 7.6-9.6 HG3 ARG 105 - H ALA 113 far 0 81 0 - 7.8-11.8 HG2 ARG 118 - H ALA 113 far 0 84 0 - 8.4-9.8 HD3 LYS 123 - H VAL 117 far 0 96 0 - 8.9-11.1 HG2 LYS 17 - H ALA 113 far 0 72 0 - 9.7-10.1 Violated in 3 structures by 0.00 A. Peak 10431 from nnoeabs.peaks (1.91, 8.12, 120.23 ppm; 4.30 A): 0 out of 9 assignments used, quality = 0.00: HB2 LYS 115 - H VAL 117 far 0 65 0 - 4.7-6.0 HB2 LYS 115 - H ALA 113 far 0 60 0 - 5.0-6.4 HB2 LEU 81 - H VAL 117 far 0 94 0 - 6.2-6.8 HG2 MET 121 - H VAL 117 far 0 97 0 - 7.6-8.7 HB ILE 7 - H VAL 117 far 0 65 0 - 7.7-8.3 HB3 LYS 17 - H ALA 113 far 0 81 0 - 7.8-8.3 HB2 LEU 81 - H ALA 113 far 0 89 0 - 8.4-9.3 HB3 LYS 17 - H VAL 117 far 0 87 0 - 9.4-10.2 HB ILE 7 - H ALA 113 far 0 60 0 - 9.7-10.5 Violated in 20 structures by 0.29 A. Peak 10442 from nnoeabs.peaks (0.87, 7.74, 116.90 ppm; 3.97 A): 1 out of 5 assignments used, quality = 0.71: QD1 LEU 14 + H LEU 114 OK 71 84 100 84 3.1-3.7 11519/1746=49...(5) QG2 VAL 107 - H LEU 114 far 0 99 0 - 4.1-4.8 QG2 VAL 117 - H LEU 114 far 0 97 0 - 4.4-4.9 QG2 THR 9 - H LEU 114 far 0 94 0 - 7.3-7.9 QG2 VAL 22 - H LEU 114 far 0 65 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 10443 from nnoeabs.peaks (1.94, 7.74, 116.90 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.87: HB2 LYS 115 + H LEU 114 OK 79 96 90 92 4.3-5.3 4.0/718=81, 4.4/2193=54 HB3 LYS 115 + H LEU 114 OK 37 100 40 92 4.3-6.2 4.0/718=81, 4.4/2193=54 HB3 LYS 17 - H LEU 114 far 0 81 0 - 6.3-6.8 HB2 LEU 81 - H LEU 114 far 0 70 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 10444 from nnoeabs.peaks (2.07, 7.74, 116.90 ppm; 5.06 A increased from 4.76 A): 1 out of 4 assignments used, quality = 0.67: HB3 GLU 112 + H LEU 114 OK 67 73 100 91 4.7-5.1 4.6/715=70, 4.0/2190=62 HB2 GLU 112 - H LEU 114 far 7 70 10 - 5.0-5.8 HG2 GLU 119 - H LEU 114 far 0 94 0 - 8.3-9.0 HB2 GLU 13 - H LEU 114 far 0 100 0 - 8.7-9.8 Violated in 1 structures by 0.00 A. Peak 10451 from nnoeabs.peaks (0.86, 7.62, 119.07 ppm; 4.90 A increased from 4.61 A): 2 out of 5 assignments used, quality = 0.97: QG2 VAL 117 + H LYS 115 OK 92 100 100 92 4.6-5.0 10515/3.6=77...(3) QG2 VAL 107 + H LYS 115 OK 60 99 80 76 4.4-5.3 10898/10408=47...(4) QD1 LEU 14 - H LYS 115 far 0 99 0 - 5.2-5.6 QG2 THR 9 - H LYS 115 far 0 100 0 - 9.0-9.6 QG2 VAL 22 - H LYS 115 far 0 94 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10478 from nnoeabs.peaks (0.79, 8.00, 120.61 ppm; 5.00 A increased from 4.44 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 81 + H ILE 116 OK 99 99 100 100 4.6-4.7 11637/1761=96...(8) QD1 ILE 7 - H ILE 116 far 0 65 0 - 6.6-7.0 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 2 assignments used, quality = 0.88: QB ALA 113 + H ILE 116 OK 88 90 100 99 4.6-5.0 2.1/8251=73, 3.7/2193=63...(6) HB3 GLN 83 - H ILE 116 far 0 100 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 10480 from nnoeabs.peaks (2.08, 8.00, 120.61 ppm; 5.03 A increased from 4.74 A): 1 out of 5 assignments used, quality = 0.95: HG2 GLU 119 + H ILE 116 OK 95 96 100 100 4.4-5.0 10549/3.0=64...(9) HB2 GLU 112 - H ILE 116 far 15 100 15 - 4.0-6.4 HB3 GLU 112 - H ILE 116 far 5 100 5 - 4.8-5.7 HB2 GLU 111 - H ILE 116 far 0 77 0 - 7.8-9.0 HB3 MET 121 - H ILE 116 far 0 97 0 - 8.9-9.4 Violated in 2 structures by 0.00 A. Peak 10544 from nnoeabs.peaks (0.71, 7.92, 122.42 ppm; 5.77 A): 1 out of 4 assignments used, quality = 0.92: QG1 VAL 117 + H GLU 119 OK 92 92 100 100 4.6-5.3 4.3/747=88, 4.0/2215=79...(5) QD2 LEU 81 - H GLU 119 far 10 99 10 - 5.8-6.5 QG2 ILE 18 - H GLU 119 far 0 97 0 - 7.2-8.5 HG13 ILE 18 - H GLU 119 far 0 65 0 - 8.2-9.4 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 4.3-4.9 3.2/2216=89, 4.3/2215=68...(8) Violated in 0 structures by 0.00 A. Peak 10546 from nnoeabs.peaks (1.87, 7.92, 122.42 ppm; 3.99 A increased from 3.55 A): 1 out of 2 assignments used, quality = 1.00: HB3 ARG 118 + H GLU 119 OK 100 100 100 100 2.5-3.9 4.2=85, 1.8/749=70...(6) HB2 ARG 105 - H GLU 119 far 0 81 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10551 from nnoeabs.peaks (0.85, 8.83, 119.60 ppm; 5.63 A increased from 5.01 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 5 + H PHE 120 OK 99 99 100 100 5.2-5.7 4707/1792=90...(8) QG2 VAL 117 + H PHE 120 OK 61 61 100 100 5.2-5.5 3.2/2221=91...(6) HG13 ILE 5 - H PHE 120 far 0 100 0 - 7.4-8.2 QG2 VAL 22 - H PHE 120 far 0 96 0 - 9.3-10.0 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 5 assignments used, quality = 0.97: QG1 VAL 117 + H PHE 120 OK 97 97 100 100 4.3-4.9 3.2/2221=88...(7) QG2 ILE 18 - H PHE 120 far 0 92 0 - 7.7-8.5 QG2 ILE 7 - H PHE 120 far 0 73 0 - 8.3-8.7 QD2 LEU 55 - H PHE 120 far 0 96 0 - 9.1-9.8 HG13 ILE 18 - H PHE 120 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 10553 from nnoeabs.peaks (0.62, 8.83, 119.60 ppm; 5.75 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 5 + H PHE 120 OK 99 99 100 100 4.7-5.2 4709/1792=85...(9) QG1 VAL 22 - H PHE 120 far 0 61 0 - 6.7-7.5 QD1 ILE 18 - H PHE 120 far 0 98 0 - 8.1-8.7 QG1 VAL 78 - H PHE 120 far 0 99 0 - 9.1-9.5 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 3.9-4.5 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 4.4-5.0 8304/2.9=95...(6) 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 4 assignments used, quality = 1.00: QG2 ILE 5 + H MET 121 OK 99 99 100 100 4.6-5.5 3.0/10590=95...(7) HG13 ILE 5 + H MET 121 OK 65 100 65 100 5.4-6.7 2.1/10590=99...(4) QG2 VAL 117 + H MET 121 OK 60 61 100 98 5.4-6.0 3.2/2227=91...(5) QG2 VAL 22 - H MET 121 far 0 96 0 - 7.8-8.6 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 0 99 0 - 7.8-9.2 QG2 ILE 7 - H MET 121 far 0 100 0 - 8.7-9.5 HG13 ILE 18 - H MET 121 far 0 87 0 - 9.4-10.0 QG2 VAL 78 - H MET 121 far 0 73 0 - 9.5-10.3 Violated in 20 structures by 2.21 A. Peak 10590 from nnoeabs.peaks (0.62, 8.32, 116.60 ppm; 4.40 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 5 + H MET 121 OK 99 100 100 99 3.6-4.2 11352/764=52...(12) QG1 VAL 22 - H MET 121 far 0 77 0 - 5.4-6.2 QD1 ILE 18 - H MET 121 far 0 92 0 - 8.2-9.1 QG1 VAL 78 - H MET 121 far 0 96 0 - 8.7-9.4 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 98 4.0-4.5 2.9/784=88, 3.6/2238=46...(4) HG3 ARG 118 - H LYS 123 far 0 84 0 - 7.0-9.1 HD2 LYS 53 - H LYS 123 far 0 73 0 - 9.4-12.7 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 4.3-4.7 9010/2.9=96, 9016/3.0=88...(12) Violated in 0 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 3.1-4.0 4665/2.9=95, 4639/3.0=92...(12) 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 3.9-4.4 10629/2.9=99...(12) Violated in 0 structures by 0.00 A. Peak 10635 from nnoeabs.peaks (4.15, 7.86, 116.08 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.90: HA ALA 124 + H SER 126 OK 90 94 100 96 3.5-4.1 3.6/797=56, 2257/800=53...(7) HA GLN 122 - H SER 126 far 0 65 0 - 5.0-6.0 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; 5.83 A increased from 5.19 A): 2 out of 3 assignments used, quality = 0.98: HB3 LYS 123 + H SER 126 OK 92 96 100 96 5.1-5.9 2.9/8311=84, 4.4/2250=54...(4) HB2 GLU 128 + H SER 126 OK 77 99 85 91 4.9-6.5 1837/2253=64...(5) HG2 MET 121 - H SER 126 far 0 90 0 - 8.6-9.8 Violated in 0 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 4.3-4.6 2.1/10635=100...(7) 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 97 2.0-2.9 3.2/9041=61, 4.1/9033=41...(10) QD1 LEU 45 - H LEU 4 far 0 73 0 - 6.1-6.8 QG2 ILE 54 - H LEU 4 far 0 96 0 - 6.7-7.4 QD2 LEU 45 - H LEU 4 far 0 84 0 - 6.8-8.0 QD2 LEU 6 - H LEU 4 far 0 100 0 - 6.8-7.7 QD2 LEU 55 - H LEU 4 far 0 100 0 - 7.9-8.4 QG1 VAL 117 - H LEU 4 far 0 70 0 - 8.6-9.2 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 = 0.99: HA VAL 78 + H LEU 6 OK 97 100 100 97 4.4-4.9 491/9070=91, 3.2/9888=50...(4) HA ILE 7 + H LEU 6 OK 69 70 100 99 5.1-5.2 ~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): 1 out of 9 assignments used, quality = 0.93: QG2 ILE 5 + H ILE 7 OK 93 100 100 93 3.7-4.0 20/4.7=49, 10941/1054=42...(6) HG13 ILE 57 - H ILE 7 poor 19 77 35 69 4.0-4.8 4.2/9078=40, 2.1/9581=35...(4) QG2 ILE 57 - H ILE 7 far 15 99 15 - 4.2-5.1 QG2 THR 9 - H ILE 7 far 0 61 0 - 5.5-5.6 QD2 LEU 82 - H ILE 7 far 0 61 0 - 6.3-6.9 QG2 ILE 15 - H ILE 7 far 0 100 0 - 7.2-8.0 HG13 ILE 5 - H ILE 7 far 0 100 0 - 7.5-7.7 QG2 VAL 22 - H ILE 7 far 0 92 0 - 7.7-8.6 QD1 LEU 14 - H ILE 7 far 0 77 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 10677 from nnoeabs.peaks (0.70, 8.44, 120.43 ppm; 4.33 A increased from 3.65 A): 1 out of 6 assignments used, quality = 0.96: QG2 ILE 56 + H VAL 32 OK 96 98 100 98 3.5-4.3 9534=65, 10791/1205=64...(5) QD1 ILE 57 - H VAL 32 far 0 97 0 - 5.5-6.1 QD2 LEU 63 - H VAL 32 far 0 94 0 - 5.7-6.8 QD1 LEU 6 - H VAL 32 far 0 77 0 - 7.3-8.3 QD1 LEU 55 - H VAL 32 far 0 73 0 - 9.1-9.6 QG2 ILE 18 - H VAL 32 far 0 65 0 - 9.3-10.1 Violated in 3 structures by 0.00 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 4.3-4.7 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 = 0.82: * HA LEU 81 + H ARG 105 OK 82 100 100 82 2.2-2.7 5538/10267=33...(7) HA GLN 83 - H ARG 105 far 0 92 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 10687 from nnoeabs.peaks (4.57, 8.32, 122.86 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.64: * HA PHE 79 + H GLU 103 OK 64 100 100 65 2.9-3.4 10688=48, 11014/1683=31 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 1 assignment used, quality = 0.86: * HA THR 9 + H GLN 83 OK 86 99 100 87 3.2-3.5 3.0/9997=57...(3) Violated in 0 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 4.2-4.5 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): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 55 + H ILE 5 OK 96 99 100 97 4.2-4.7 10938/3.9=64...(7) QG2 VAL 78 + H ILE 5 OK 91 98 100 93 4.2-4.8 10665/4.6=50...(8) QG2 ILE 54 - H ILE 5 far 0 77 0 - 5.0-5.7 QD2 LEU 6 - H ILE 5 far 0 99 0 - 5.0-5.6 QG1 VAL 117 - H ILE 5 far 0 92 0 - 6.0-6.7 QD1 LEU 6 - H ILE 5 far 0 73 0 - 6.7-7.1 QD2 LEU 45 - H ILE 5 far 0 98 0 - 7.1-8.2 QG2 ILE 18 - H ILE 5 far 0 84 0 - 7.3-7.8 QG2 ILE 7 - H ILE 5 far 0 84 0 - 7.9-8.1 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 3.5-3.8 11384=100, 9951/30=81...(4) Violated in 0 structures by 0.00 A. Peak 10747 from nnoeabs.peaks (8.05, 6.25, 107.51 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: H THR 9 + HD22 ASN 8 OK 100 100 100 100 2.8-4.7 41=100, 40/1.7=95...(4) H LYS 65 - HD22 ASN 8 far 0 96 0 - 6.7-8.5 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 1 assignment used, quality = 0.99: H ASP 60 + HD21 ASN 8 OK 99 100 100 99 3.3-5.5 9634/1.7=85, 3.6/9096=76...(4) Violated in 1 structures by 0.00 A. Peak 10749 from nnoeabs.peaks (7.85, 6.25, 107.51 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.95: H ASP 60 + HD22 ASN 8 OK 95 96 100 100 3.6-5.4 10748/1.7=88...(4) 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): 1 out of 4 assignments used, quality = 0.24: HE22 GLN 83 + HD21 ASN 11 OK 24 70 100 35 1.9-4.1 11191/3.5=12, ~11191=11...(4) HE21 GLN 83 - HD21 ASN 11 poor 16 73 80 27 3.1-4.8 ~11191=12, 11191/3.5=10 HE22 GLN 83 - HD22 ASN 11 poor 14 69 75 27 2.6-5.3 11191/3.5=12, ~11191=11 HE21 GLN 83 - HD22 ASN 11 poor 10 73 50 27 3.6-6.3 ~11191=12, 11191/3.5=10 Violated in 0 structures by 0.00 A. Peak 10765 from nnoeabs.peaks (7.34, 7.58, 121.68 ppm; 5.16 A increased from 4.59 A): 2 out of 2 assignments used, quality = 0.91: HD21 ASN 11 + H LEU 14 OK 88 90 100 99 3.7-5.0 3.5/9136=65, 3.5/9158=58...(6) HD22 ASN 11 + H LEU 14 OK 21 92 25 92 4.6-6.4 3.5/9136=65, 3.5/9158=58...(4) Violated in 0 structures by 0.00 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 4.7-5.0 9174/3.6=96...(5) QD2 LEU 14 + H GLU 13 OK 95 97 100 98 3.6-4.3 4.3/62=95, 4.0/11313=63 QG1 VAL 107 - H GLU 13 far 0 97 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 10774 from nnoeabs.peaks (6.86, 7.60, 117.60 ppm; 5.73 A increased from 5.39 A): 1 out of 1 assignment used, quality = 0.93: QD TYR 76 + H LEU 74 OK 93 94 100 99 5.2-5.6 4616/5241=84...(5) Violated in 0 structures by 0.00 A. Peak 10777 from nnoeabs.peaks (1.40, 8.79, 120.96 ppm; 5.73 A increased from 4.83 A): 3 out of 4 assignments used, quality = 1.00: HG3 LYS 16 + H ILE 18 OK 97 99 100 98 4.6-5.7 7369/92=90, 1107/1985=62 QB ALA 113 + H ILE 18 OK 75 94 80 100 5.0-6.2 9197/1128=92...(6) HB3 LEU 114 + H ILE 18 OK 75 99 75 100 5.4-6.0 3.1/10434=88...(8) HB3 GLN 83 - H ILE 18 far 0 61 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10781 from nnoeabs.peaks (0.85, 8.53, 118.32 ppm; 4.12 A): 1 out of 8 assignments used, quality = 0.93: QG2 VAL 22 + H LYS 19 OK 93 100 95 98 3.8-4.2 10859/3.0=72...(10) QG2 ILE 15 - H LYS 19 far 10 99 10 - 4.1-4.6 QG2 ILE 57 - H LYS 19 far 0 87 0 - 5.3-6.2 HG13 ILE 57 - H LYS 19 far 0 97 0 - 6.0-7.1 QD1 LEU 14 - H LYS 19 far 0 97 0 - 6.0-6.2 QG2 VAL 117 - H LYS 19 far 0 84 0 - 6.3-6.9 QG2 THR 9 - H LYS 19 far 0 90 0 - 6.3-6.7 QG2 ILE 5 - H LYS 19 far 0 90 0 - 8.4-8.8 Violated in 2 structures by 0.01 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 - 8.2-9.7 Violated in 20 structures by 4.46 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 1.9-4.3 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): 1 out of 4 assignments used, quality = 0.97: QD1 ILE 54 + H LYS 53 OK 97 100 100 97 4.0-4.6 11545/4.7=76...(4) QD1 LEU 4 - H LYS 53 far 0 99 0 - 7.7-8.4 QD1 ILE 5 - H LYS 53 far 0 84 0 - 8.1-9.3 QG1 VAL 22 - H LYS 53 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 10802 from nnoeabs.peaks (1.81, 8.80, 124.73 ppm; 5.27 A increased from 4.69 A): 1 out of 3 assignments used, quality = 0.98: HB ILE 3 + H ILE 54 OK 98 99 100 99 4.4-5.0 9003=72, 9001/3.6=69...(7) HG12 ILE 5 - H ILE 54 far 0 99 0 - 7.0-8.0 QE MET 121 - H ILE 54 far 0 61 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 10817 from nnoeabs.peaks (8.20, 7.20, 110.45 ppm; 5.32 A): 1 out of 4 assignments used, quality = 1.00: H ASP 84 + HE21 GLN 83 OK 100 100 100 100 4.2-5.3 528/3.5=82, 529/3.5=75...(8) H ASP 84 - HE22 GLN 83 far 15 100 15 - 5.0-6.7 H GLU 111 - HE21 GLN 83 far 0 94 0 - 6.5-7.7 H GLU 111 - HE22 GLN 83 far 0 94 0 - 6.5-8.8 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 = 0.51: QD1 ILE 97 + HE22 GLN 100 OK 51 65 100 78 3.9-5.7 4.2/10165=67, 10126/3.5=33 QD2 LEU 68 - HE22 GLN 100 lone 8 100 55 14 3.8-7.0 11489/3.5=10, 11489/1008=2 Violated in 2 structures by 0.00 A. Peak 10887 from nnoeabs.peaks (2.96, 7.56, 112.87 ppm; 4.86 A increased from 4.58 A): 2 out of 4 assignments used, quality = 0.96: HB3 ASN 24 + HE21 GLN 25 OK 86 100 95 91 2.1-5.0 10882=54, 1.8/10882=37...(7) HB2 ASN 24 + HE21 GLN 25 OK 74 100 80 92 2.5-6.0 10882=46, 1.8/10882=43...(7) HD3 ARG 118 - HE21 GLN 25 far 0 97 0 - 7.0-12.1 HE3 LYS 20 - HE21 GLN 25 far 0 100 0 - 9.0-14.3 Violated in 0 structures by 0.00 A. Peak 10888 from nnoeabs.peaks (2.96, 6.88, 112.87 ppm; 6.20 A increased from 5.00 A): 2 out of 5 assignments used, quality = 0.95: HB3 ASN 24 + HE22 GLN 25 OK 81 98 90 91 2.4-6.3 10887/1.7=53, ~10882=40...(5) HB2 ASN 24 + HE22 GLN 25 OK 75 98 80 95 2.5-7.4 10884/3.5=49, ~10882=47...(5) HD3 ARG 118 - HE22 GLN 25 far 9 92 10 - 5.4-12.0 HE3 LYS 20 - HE22 GLN 25 far 0 100 0 - 8.8-15.4 HE2 LYS 20 - HE22 GLN 25 far 0 100 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 10986 from nnoeabs.peaks (0.74, 8.20, 119.58 ppm; 4.46 A increased from 4.19 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 63 + H LEU 38 OK 99 100 100 99 3.9-4.2 9320/11315=56...(11) QD2 LEU 6 - H LEU 38 far 0 97 0 - 8.4-9.0 QD1 LEU 45 - H LEU 38 far 0 87 0 - 8.6-9.5 QD2 LEU 45 - H LEU 38 far 0 70 0 - 9.2-10.1 QG2 ILE 54 - H LEU 38 far 0 99 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 11011 from nnoeabs.peaks (1.84, 7.56, 112.87 ppm; 4.74 A increased from 4.47 A): 1 out of 1 assignment used, quality = 0.95: QE MET 121 + HE21 GLN 25 OK 95 95 100 100 3.6-4.6 10579=84, 10580/1.7=79...(6) Violated in 0 structures by 0.00 A. Peak 11012 from nnoeabs.peaks (1.83, 6.88, 112.87 ppm; 4.65 A increased from 4.38 A): 1 out of 3 assignments used, quality = 1.00: QE MET 121 + HE22 GLN 25 OK 100 100 100 100 3.1-4.5 10580=97, 10579/1.7=75...(5) HB ILE 18 - HE22 GLN 25 far 0 89 0 - 9.8-14.9 HB3 LYS 19 - HE22 GLN 25 far 0 100 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 11110 from nnoeabs.peaks (7.68, 8.04, 109.03 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.80: H GLU 21 + H VAL 22 OK 70 70 100 100 2.7-2.9 4.6=100 HD21 ASN 24 + H VAL 22 OK 34 90 65 59 4.8-7.8 11539/3.6=58 HE ARG 118 - H VAL 22 far 0 73 0 - 6.9-11.8 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 2.3-2.8 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 1.9-2.2 4.0=100 QG2 VAL 117 + H VAL 22 OK 32 99 75 43 6.0-6.4 ~11119=39, 10600/7929=5 QG2 ILE 5 - H VAL 22 far 0 61 0 - 7.4-8.0 QG2 ILE 15 - H VAL 22 far 0 84 0 - 7.9-8.4 QD1 LEU 14 - H VAL 22 far 0 100 0 - 8.2-8.5 HG13 ILE 57 - H VAL 22 far 0 100 0 - 8.3-9.2 HG13 ILE 5 - H VAL 22 far 0 81 0 - 9.2-10.0 QG2 THR 9 - H VAL 22 far 0 100 0 - 9.3-9.6 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; 4.84 A increased from 4.30 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 29 + H LEU 55 OK 92 96 100 96 4.4-4.9 9502/1357=73...(4) Violated in 3 structures by 0.00 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): 0 out of 1 assignment used, quality = 0.00: HE22 GLN 122 - HE ARG 118 far 0 90 0 - 5.4-13.6 Violated in 20 structures by 3.89 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 3 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 0 100 0 - 7.2-12.3 HB3 ASN 24 - HE ARG 118 far 0 100 0 - 7.4-13.1 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: HG2 GLU 21 - HE ARG 118 far 15 99 15 - 4.7-10.6 HB2 GLU 119 - HE ARG 118 far 8 77 10 - 5.7-9.9 HB3 GLU 119 - HE ARG 118 far 4 87 5 - 5.9-10.6 HB2 GLU 21 - HE ARG 118 lone 1 81 50 2 3.4-8.6 HG3 GLU 21 - HE ARG 118 lone 1 100 30 2 3.8-9.2 HB2 GLU 112 - HE ARG 118 far 0 65 0 - 9.0-12.8 HB2 GLU 111 - HE ARG 118 far 0 100 0 - 9.3-13.3 HB3 GLU 112 - HE ARG 118 far 0 61 0 - 9.4-13.5 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 2.1-4.6 5.1=100 HD2 LYS 123 - HE ARG 118 far 0 73 0 - 9.5-14.3 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 2 assignments used, quality = 0.94: HG2 ARG 118 + HE ARG 118 OK 94 94 100 100 2.3-4.0 3.9=100 HB2 LEU 114 - HE ARG 118 lone 0 100 30 1 4.7-8.2 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 2 assignments used, quality = 1.00: HG3 ARG 118 + HE ARG 118 OK 100 100 100 100 2.2-4.0 3.9=100 QB ALA 124 - HE ARG 118 far 0 65 0 - 9.9-12.1 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 = 0.32: HA LYS 96 + H GLN 100 OK 32 73 100 43 5.4-5.9 2178/1942=42 HA GLU 69 - H GLN 100 far 0 98 0 - 8.2-9.4 Violated in 4 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 - 8.4-8.7 HA GLU 21 - H LYS 115 far 0 65 0 - 8.9-9.6 Violated in 20 structures by 4.18 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 3.3-4.8 4.3/1904=90...(6) Violated in 0 structures by 0.00 A. Peak 11248 from nnoeabs.peaks (0.85, 9.18, 125.98 ppm; 5.05 A increased from 4.49 A): 2 out of 9 assignments used, quality = 0.90: QG2 ILE 5 + H ILE 56 OK 83 87 100 96 4.4-4.9 11247/335=68...(4) HG13 ILE 57 + H ILE 56 OK 43 98 45 96 4.9-5.5 ~9575=58, 11138/337=57...(7) HG13 ILE 5 - H ILE 56 far 10 97 10 - 5.0-6.0 QG2 ILE 57 - H ILE 56 far 0 84 0 - 6.1-6.3 QG2 VAL 22 - H ILE 56 far 0 100 0 - 6.2-7.1 QG2 VAL 117 - H ILE 56 far 0 87 0 - 7.4-8.0 QG2 ILE 15 - H ILE 56 far 0 98 0 - 7.9-8.5 QG2 THR 9 - H ILE 56 far 0 92 0 - 8.1-8.7 QG1 VAL 32 - H ILE 56 far 0 81 0 - 8.3-8.9 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 4.0-4.3 9325=69, 9319/11505=67...(12) H LEU 64 - H LEU 38 far 0 100 0 - 8.8-9.2 Violated in 2 structures by 0.00 A. Peak 11316 from nnoeabs.peaks (7.80, 8.78, 118.11 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.60: H LYS 40 + H MET 42 OK 60 61 100 98 3.7-4.5 3.0/8062=71, 3.6/2050=71...(4) 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 4.0-4.4 3.6/2065=85, 4.6/1889=81...(4) 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 3.6-3.8 4.6/1890=89, 3.7/9453=81...(7) H GLU 48 + H LEU 45 OK 53 77 100 68 4.5-5.2 4.6/2073=66, 282/2066=4 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 5.4-5.8 9292/1228=91...(7) HA GLU 41 - H GLU 37 far 0 81 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 11327 from nnoeabs.peaks (1.45, 8.80, 124.73 ppm; 4.97 A): 2 out of 8 assignments used, quality = 1.00: HG LEU 4 + H ILE 54 OK 97 100 100 97 4.3-5.0 2.1/11714=88...(4) HB3 LEU 4 + H ILE 54 OK 83 84 100 99 3.9-4.6 3.0/9485=78...(5) HB2 LEU 4 - H ILE 54 far 0 84 0 - 5.2-5.8 HG2 LYS 49 - H ILE 54 far 0 96 0 - 6.5-16.3 HG3 ARG 30 - H ILE 54 far 0 100 0 - 6.8-8.5 HG3 LYS 49 - H ILE 54 far 0 96 0 - 7.1-15.9 HG3 LYS 44 - H ILE 54 far 0 87 0 - 9.1-12.5 HG12 ILE 57 - H ILE 54 far 0 92 0 - 9.7-10.1 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 1.9-5.0 6438/2.9=87, 6430/2.9=82, 6.5=45 HA LEU 82 - HE ARG 105 far 0 99 0 - 9.2-12.2 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 4.0-5.2 4.9=100 HD2 LYS 123 - HE ARG 105 far 0 94 0 - 6.9-11.7 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 2.2-3.9 3.8=100 HD3 LYS 123 - HE ARG 105 far 0 90 0 - 6.8-12.2 HB2 LEU 90 - HE ARG 105 far 0 70 0 - 9.8-14.3 HB2 LEU 80 - HE ARG 105 far 0 98 0 - 9.9-12.2 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 = 0.81: HB ILE 56 + H ILE 7 OK 81 87 100 93 4.2-4.8 10950/23=67, 4.0/9530=59...(4) HG12 ILE 71 - H ILE 7 far 0 70 0 - 9.8-10.3 Violated in 0 structures by 0.00 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 3.3-4.1 9576=88, 9570/179=76...(5) Violated in 0 structures by 0.00 A. Peak 11361 from nnoeabs.peaks (9.15, 8.54, 127.24 ppm; 4.61 A increased from 4.34 A): 1 out of 1 assignment used, quality = 0.75: H ARG 30 + H ILE 57 OK 75 77 100 97 4.1-4.7 10680/339=69, 9250=65...(5) Violated in 2 structures by 0.01 A. Peak 11374 from nnoeabs.peaks (2.02, 7.61, 117.57 ppm; 4.00 A): 0 out of 1 assignment used, quality = 0.00: HB2 MET 1 - H LEU 74 far 0 97 0 - 9.5-15.2 Violated in 20 structures by 8.54 A. Peak 11384 from nnoeabs.peaks (8.63, 9.06, 126.69 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.96: H ASN 8 + H LEU 81 OK 96 100 100 96 3.5-3.8 10746=74, 30/9951=70...(4) H VAL 104 - H LEU 81 far 0 57 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 11387 from nnoeabs.peaks (1.46, 9.06, 126.69 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.98: HB3 LEU 6 + H LEU 81 OK 96 100 100 96 3.4-3.8 10954/509=61...(9) HG LEU 80 + H LEU 81 OK 59 61 100 96 3.1-3.5 2.1/509=88, 4.3/504=54...(7) HG12 ILE 7 - H LEU 81 far 15 100 15 - 4.0-4.3 HG2 LYS 106 - H LEU 81 far 0 100 0 - 8.8-9.8 HG12 ILE 57 - H LEU 81 far 0 100 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 11403 from nnoeabs.peaks (8.59, 8.21, 124.45 ppm; 5.65 A increased from 5.02 A): 1 out of 2 assignments used, quality = 0.91: H THR 108 + H ASP 84 OK 91 92 100 99 5.1-5.4 2.9/10023=94...(3) H LYS 94 - H ASP 84 far 0 87 0 - 9.1-9.7 Violated in 0 structures by 0.00 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 3.7-3.9 533/536=84, 3.0/11298=46...(4) Violated in 0 structures by 0.00 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): 1 out of 2 assignments used, quality = 0.97: HB2 ASP 34 + H GLU 37 OK 97 97 100 100 2.8-4.7 11683=96, 3.0/11684=92...(8) HB2 ASN 33 - H GLU 37 far 0 96 0 - 7.7-8.4 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 2.2-2.4 9282=64, 11003/3.0=55...(15) 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 = 0.88: HA GLU 21 + HD21 ASN 24 OK 88 100 100 88 3.2-5.4 11324/3.5=85, 3.6/11110=19 Violated in 0 structures by 0.00 A. Peak 11666 from nnoeabs.peaks (2.06, 7.56, 112.87 ppm; 6.20 A): 0 out of 1 assignment used, quality = 0.00: HB VAL 117 - HE21 GLN 25 far 0 92 0 - 8.5-10.6 Violated in 20 structures by 3.35 A. Peak 11667 from nnoeabs.peaks (1.47, 8.72, 117.99 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.87: HG3 LYS 49 + H ASN 50 OK 66 73 100 90 2.3-5.6 4140/4.4=46, 1.8/7540=41...(5) HG2 LYS 49 + H ASN 50 OK 62 73 100 84 3.2-5.8 1.8/7540=43, 4102/3.6=35...(5) HB3 LEU 45 - H ASN 50 lone 0 87 25 2 5.5-10.0 HD2 LYS 53 - H ASN 50 far 0 98 0 - 8.5-14.8 HB2 LEU 74 - H ASN 50 far 0 96 0 - 9.8-14.3 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 2 assignments used, quality = 1.00: HZ PHE 93 + H LYS 65 OK 100 100 100 100 3.5-3.8 4682/394=84, 4685/397=81...(9) QE PHE 79 - H ARG 118 far 0 48 0 - 9.3-9.9 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 3 assignments used, quality = 0.98: HG LEU 14 + HE21 GLN 83 OK 88 99 100 89 3.9-5.1 2.1/10016=48, ~10015=43...(4) HG LEU 14 + HE22 GLN 83 OK 86 99 95 91 3.0-5.4 2.1/10015=57...(4) HG3 LYS 16 - HE22 GLN 83 far 0 84 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 11714 from nnoeabs.peaks (0.68, 8.80, 124.73 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 4 + H ILE 54 OK 99 100 100 99 1.9-2.5 11358=77, 10734/1350=67...(10) QD1 ILE 56 - H ILE 54 far 0 65 0 - 5.6-6.3 QD1 LEU 55 - H ILE 54 far 0 99 0 - 6.4-6.7 QG2 ILE 56 - H ILE 54 far 0 77 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 11715 from nnoeabs.peaks (2.37, 9.10, 130.09 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: HB3 TYR 27 + H LEU 55 OK 98 98 100 100 5.0-5.7 2.5/9508=95, 4.2/9230=80...(5) HG2 GLN 25 - H LEU 55 far 0 70 0 - 9.9-11.7 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 2.3-2.5 3.2=100 HG2 LYS 53 - HA ILE 3 far 5 92 5 - 4.7-8.5 HG2 LYS 2 - HA ILE 3 lone 0 94 35 1 3.9-6.6 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 2.1-3.8 4.2=100 HD3 LYS 2 - HA ILE 3 far 0 94 0 - 4.7-8.0 HG13 ILE 56 - HA ILE 3 far 0 90 0 - 9.0-9.9 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 - 7.0-7.6 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 55 92 80 75 2.0-5.8 4.1/9001=28...(7) HG2 LYS 2 - HB ILE 3 far 0 94 0 - 5.6-7.8 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 3 assignments used, quality = 1.00: * HG12 ILE 3 + HB ILE 3 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 55 - HB ILE 3 far 0 99 0 - 8.2-9.1 HB VAL 78 - HB ILE 3 far 0 99 0 - 8.7-9.4 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 - 6.9-9.0 Violated in 0 structures by 0.00 A. Peak 2336 from cnoeabs.peaks (4.83, 1.08, 17.85 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 3 + QG2 ILE 3 OK 100 100 100 100 2.3-2.5 3.2=100 HA ILE 5 - QG2 ILE 3 far 0 97 0 - 4.3-4.6 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (1.81, 1.08, 17.85 ppm; 3.25 A): 1 out of 2 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 far 0 100 0 - 4.1-4.7 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 2.3-3.2 3.2=100 HB VAL 78 - QG2 ILE 3 far 0 99 0 - 5.6-6.8 HG LEU 55 - QG2 ILE 3 far 0 99 0 - 6.0-6.8 HG2 LYS 123 - QG2 ILE 3 far 0 81 0 - 8.1-8.6 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 2.4-3.2 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 1.9-2.1 3.0=100 HD3 LYS 2 - QG2 ILE 3 far 0 94 0 - 6.3-8.8 HG13 ILE 56 - QG2 ILE 3 far 0 90 0 - 7.9-8.8 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 2.4-3.8 3.8=100 HA ILE 5 + HG LEU 55 OK 77 93 85 98 4.6-4.9 3.2/11247=78, ~10939=55...(7) HA ILE 5 - HG12 ILE 3 far 0 97 0 - 7.8-9.1 HA ILE 3 - HG LEU 55 far 0 97 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 2343 from cnoeabs.peaks (1.81, 1.56, 27.38 ppm; 3.50 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 3 + HG12 ILE 3 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 5 - HG LEU 55 far 5 97 5 - 3.5-4.4 HB ILE 57 - HG LEU 55 far 0 64 0 - 6.9-7.5 HB ILE 18 - HG LEU 55 far 0 72 0 - 7.3-8.0 HG12 ILE 5 - HG12 ILE 3 far 0 100 0 - 7.8-9.3 HB ILE 3 - HG LEU 55 far 0 97 0 - 8.2-9.1 HB2 LYS 19 - HG LEU 55 far 0 61 0 - 9.1-9.9 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 2.3-3.2 3.2=100 HG2 LYS 53 - HG12 ILE 3 far 0 92 0 - 3.9-8.7 HG2 LYS 2 - HG12 ILE 3 far 0 94 0 - 5.5-8.3 QG2 ILE 3 - HG LEU 55 far 0 97 0 - 6.0-6.8 HG2 LYS 53 - HG LEU 55 far 0 87 0 - 7.7-10.2 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 1 assignment used, quality = 1.00: * HG13 ILE 3 + HG12 ILE 3 OK 100 100 100 100 1.8-1.8 1.8=100 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 - 6.4-9.5 HG13 ILE 56 - HG LEU 55 far 0 84 0 - 6.6-7.3 QD1 ILE 3 - HG LEU 55 far 0 97 0 - 8.7-9.5 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 2.5-3.1 3.8=100 HA ILE 5 - HG13 ILE 3 far 0 97 0 - 8.0-9.1 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 - 8.6-9.1 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 2.4-3.2 3.2=100 HG2 LYS 53 - HG13 ILE 3 far 0 92 0 - 4.3-7.4 HG2 LYS 2 - HG13 ILE 3 far 0 94 0 - 5.5-8.3 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 2 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 - 7.8-9.5 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 - 6.3-9.1 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 2.1-3.8 4.2=84, 2/7308=42, 9855/11086=14 HA ILE 5 - QD1 ILE 3 far 0 97 0 - 6.3-7.4 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 0 100 0 - 6.5-7.0 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 1.9-2.1 3.0=100 HG2 LYS 53 - QD1 ILE 3 far 5 92 5 - 3.3-7.0 HG2 LYS 2 - QD1 ILE 3 far 0 94 0 - 5.5-8.2 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 HB VAL 78 - QD1 ILE 3 far 0 99 0 - 6.6-8.2 HG2 LYS 123 - QD1 ILE 3 far 0 81 0 - 7.7-8.2 HG LEU 55 - QD1 ILE 3 far 0 99 0 - 8.7-9.5 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): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 4 + HA LEU 4 OK 100 100 100 100 2.3-2.3 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 3.3-3.5 3.7=100 HG12 ILE 56 - HA LEU 4 far 0 92 0 - 4.5-5.2 HG3 ARG 30 - HA LEU 4 far 0 77 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 2363 from cnoeabs.peaks (1.44, 5.46, 53.34 ppm; 3.94 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 4 + HA LEU 4 OK 100 100 100 100 2.3-2.3 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 3.3-3.5 3.7=100 HG12 ILE 56 - HA LEU 4 far 0 92 0 - 4.5-5.2 HG3 ARG 30 - HA LEU 4 far 0 77 0 - 7.7-9.8 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 9 assignments used, quality = 1.00: * HG LEU 4 + HA LEU 4 OK 100 100 100 100 3.3-3.5 3.7=100 HB3 LEU 4 + HA LEU 4 OK 81 81 100 100 2.3-2.3 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 - 7.7-9.8 HB3 LEU 6 - HA LEU 4 far 0 97 0 - 8.0-8.4 HG12 ILE 57 - HA LEU 4 far 0 94 0 - 8.6-9.1 HG2 LYS 49 - HA LEU 4 far 0 97 0 - 8.8-18.3 HG3 LYS 49 - HA LEU 4 far 0 97 0 - 9.7-18.2 HG12 ILE 7 - HA LEU 4 far 0 96 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (0.64, 5.46, 53.34 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 4 + HA LEU 4 OK 100 100 100 100 4.0-4.0 3.8=100 QD1 ILE 5 + HA LEU 4 OK 35 65 70 77 4.0-4.6 13/9=55, 9009/10662=25...(4) QD1 ILE 56 - HA LEU 4 far 0 61 0 - 5.5-6.1 QD1 ILE 71 - HA LEU 4 far 0 87 0 - 5.8-6.4 QD1 ILE 54 - HA LEU 4 far 0 97 0 - 5.9-6.2 QG1 VAL 22 - HA LEU 4 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (0.68, 5.46, 53.34 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 4 + HA LEU 4 OK 100 100 100 100 2.3-2.5 3.8=100 QD1 LEU 55 - HA LEU 4 far 0 98 0 - 5.3-6.0 QD1 ILE 56 - HA LEU 4 far 0 70 0 - 5.5-6.1 QG2 ILE 56 - HA LEU 4 far 0 73 0 - 6.7-7.4 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 3 assignments used, quality = 1.00: * H LEU 4 + HB2 LEU 4 OK 100 100 100 100 3.0-3.1 3.8=100 H LEU 4 + HB3 LEU 4 OK 100 100 100 100 3.8-3.9 3.8=100 H LEU 81 - HB2 LEU 4 far 0 65 0 - 9.5-9.8 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 2.3-2.3 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): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.1-2.3 3.1=100 QD1 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 ILE 71 - HB2 LEU 4 far 9 87 10 - 3.3-3.9 QD1 ILE 56 - HB3 LEU 4 far 0 61 0 - 4.1-4.8 QD1 ILE 71 - HB3 LEU 4 far 0 87 0 - 4.2-4.9 QD1 ILE 5 - HB2 LEU 4 far 0 65 0 - 4.8-5.4 QD1 ILE 5 - HB3 LEU 4 far 0 65 0 - 5.3-5.8 QD1 ILE 56 - HB2 LEU 4 far 0 61 0 - 5.3-6.0 QD1 ILE 54 - HB3 LEU 4 far 0 97 0 - 5.9-6.4 QD1 ILE 54 - HB2 LEU 4 far 0 97 0 - 7.3-7.7 QG1 VAL 22 - HB3 LEU 4 far 0 99 0 - 8.6-9.2 QG1 VAL 22 - HB2 LEU 4 far 0 99 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (0.68, 1.44, 45.31 ppm; 3.26 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.2-2.3 3.1=100 * QD2 LEU 4 + HB2 LEU 4 OK 100 100 100 100 3.2-3.2 3.1=100 QD1 ILE 56 - HB3 LEU 4 far 0 70 0 - 4.1-4.8 QG2 ILE 56 - HB3 LEU 4 far 0 73 0 - 5.2-5.9 QD1 ILE 56 - HB2 LEU 4 far 0 70 0 - 5.3-6.0 QG2 ILE 56 - HB2 LEU 4 far 0 73 0 - 5.8-6.6 QD1 LEU 55 - HB3 LEU 4 far 0 98 0 - 6.4-7.0 QD1 LEU 55 - HB2 LEU 4 far 0 98 0 - 7.2-7.8 QG2 ILE 97 - HB2 LEU 4 far 0 99 0 - 9.8-10.4 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 2.3-2.3 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): 2 out of 12 assignments used, quality = 1.00: QD1 LEU 4 + HB2 LEU 4 OK 100 100 100 100 2.1-2.3 3.1=100 * QD1 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 ILE 71 - HB2 LEU 4 far 9 87 10 - 3.3-3.9 QD1 ILE 56 - HB3 LEU 4 far 0 61 0 - 4.1-4.8 QD1 ILE 71 - HB3 LEU 4 far 0 87 0 - 4.2-4.9 QD1 ILE 5 - HB2 LEU 4 far 0 65 0 - 4.8-5.4 QD1 ILE 5 - HB3 LEU 4 far 0 65 0 - 5.3-5.8 QD1 ILE 56 - HB2 LEU 4 far 0 61 0 - 5.3-6.0 QD1 ILE 54 - HB3 LEU 4 far 0 97 0 - 5.9-6.4 QD1 ILE 54 - HB2 LEU 4 far 0 97 0 - 7.3-7.7 QG1 VAL 22 - HB3 LEU 4 far 0 99 0 - 8.6-9.2 QG1 VAL 22 - HB2 LEU 4 far 0 99 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (0.68, 1.44, 45.31 ppm; 3.26 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 4 + HB3 LEU 4 OK 100 100 100 100 2.2-2.3 3.1=100 QD2 LEU 4 + HB2 LEU 4 OK 100 100 100 100 3.2-3.2 3.1=100 QD1 ILE 56 - HB3 LEU 4 far 0 70 0 - 4.1-4.8 QG2 ILE 56 - HB3 LEU 4 far 0 73 0 - 5.2-5.9 QD1 ILE 56 - HB2 LEU 4 far 0 70 0 - 5.3-6.0 QG2 ILE 56 - HB2 LEU 4 far 0 73 0 - 5.8-6.6 QD1 LEU 55 - HB3 LEU 4 far 0 98 0 - 6.4-7.0 QD1 LEU 55 - HB2 LEU 4 far 0 98 0 - 7.2-7.8 QG2 ILE 97 - HB2 LEU 4 far 0 99 0 - 9.8-10.4 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 2.4-2.6 1034/2.1=92, 2388/2.1=84...(7) H LEU 81 + HG LEU 80 OK 37 42 100 88 3.1-3.5 509/2.1=55, 504/4.3=41...(7) 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 3.3-3.5 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): 1 out of 7 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 71 - HG LEU 4 far 0 87 0 - 4.7-5.4 QD1 ILE 5 - HG LEU 4 far 0 65 0 - 5.8-6.4 QD1 ILE 56 - HG LEU 4 far 0 61 0 - 6.1-6.9 QD1 ILE 54 - HG LEU 4 far 0 97 0 - 6.7-7.1 QD1 ILE 71 - HG LEU 80 far 0 59 0 - 7.4-8.1 QD1 ILE 5 - HG LEU 80 far 0 42 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (0.68, 1.45, 28.19 ppm; 2.97 A): 1 out of 7 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 far 0 74 0 - 4.0-4.2 QD1 ILE 56 - HG LEU 4 far 0 70 0 - 6.1-6.9 QG2 ILE 56 - HG LEU 4 far 0 73 0 - 7.4-8.1 QD1 LEU 55 - HG LEU 4 far 0 98 0 - 8.2-8.9 QD1 ILE 116 - HG LEU 80 far 0 75 0 - 9.1-9.7 QG2 ILE 56 - HG LEU 80 far 0 48 0 - 9.2-10.3 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 2 assignments used, quality = 1.00: * H LEU 4 + QD1 LEU 4 OK 100 100 100 100 3.8-4.0 4.4=99, 1034/2.1=83...(7) H LEU 81 - QD1 LEU 4 far 0 65 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2389 from cnoeabs.peaks (5.46, 0.64, 25.46 ppm; 4.12 A increased from 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 4 + QD1 LEU 4 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 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: * HB2 LEU 4 + QD1 LEU 4 OK 93 100 100 93 2.1-2.3 3.1=77, 3.8/2388=20...(11) HB3 LEU 4 + QD1 LEU 4 OK 92 100 100 92 2.3-2.5 3.1=77, 2397/2.1=32...(10) HG LEU 4 + QD1 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HG12 ILE 56 - QD1 LEU 4 far 0 92 0 - 3.5-4.3 HG3 ARG 30 - QD1 LEU 4 far 0 77 0 - 6.1-8.5 HG3 LYS 44 - QD1 LEU 4 far 0 100 0 - 7.2-9.4 HB3 LEU 63 - QD1 LEU 4 far 0 90 0 - 9.9-10.4 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: HB2 LEU 4 + QD1 LEU 4 OK 93 100 100 93 2.1-2.3 3.1=77, 3.8/2388=20...(11) * HB3 LEU 4 + QD1 LEU 4 OK 92 100 100 92 2.3-2.5 3.1=77, 2397/2.1=32...(10) HG LEU 4 + QD1 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HG12 ILE 56 - QD1 LEU 4 far 0 92 0 - 3.5-4.3 HG3 ARG 30 - QD1 LEU 4 far 0 77 0 - 6.1-8.5 HG3 LYS 44 - QD1 LEU 4 far 0 100 0 - 7.2-9.4 HB3 LEU 63 - QD1 LEU 4 far 0 90 0 - 9.9-10.4 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 11 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 2.1-2.3 3.1=77, 3.8/2388=20...(10) HB3 LEU 4 + QD1 LEU 4 OK 74 81 100 91 2.3-2.5 3.1=77, 2399/2.1=26...(9) HB2 LEU 74 - QD1 LEU 4 far 0 77 0 - 4.8-5.2 HG2 LYS 49 - QD1 LEU 4 far 0 97 0 - 6.0-13.0 HG3 ARG 30 - QD1 LEU 4 far 0 100 0 - 6.1-8.5 HB3 LEU 6 - QD1 LEU 4 far 0 97 0 - 7.0-7.3 HG3 LYS 49 - QD1 LEU 4 far 0 97 0 - 7.1-13.2 HG3 LYS 44 - QD1 LEU 4 far 0 84 0 - 7.2-9.4 HG12 ILE 57 - QD1 LEU 4 far 0 94 0 - 8.6-9.4 HB3 LEU 38 - QD1 LEU 4 far 0 92 0 - 8.7-9.5 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 QD1 ILE 56 - QD1 LEU 4 far 0 70 0 - 3.8-4.7 QG2 ILE 56 - QD1 LEU 4 far 0 73 0 - 5.0-5.6 QD1 LEU 55 - QD1 LEU 4 far 0 98 0 - 7.4-7.9 QG2 ILE 97 - QD1 LEU 4 far 0 99 0 - 8.9-9.6 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 3.2-3.7 4.4=100 H LEU 4 - QD1 LEU 55 far 0 55 0 - 7.2-8.0 H LEU 81 - QD1 LEU 55 far 0 29 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (5.46, 0.68, 25.98 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 4 + QD2 LEU 4 OK 100 100 100 100 2.3-2.5 3.8=100 HA LEU 4 - QD1 LEU 55 far 0 55 0 - 5.3-6.0 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.44, 0.68, 25.98 ppm; 2.83 A): 2 out of 11 assignments used, quality = 0.99: HB3 LEU 4 + QD2 LEU 4 OK 94 100 100 94 2.2-2.3 3.1=77, 3.8/1034=23...(9) HG LEU 4 + QD2 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 ! HB2 LEU 4 - QD2 LEU 4 far 0 100 0 - 3.2-3.2 HG12 ILE 56 - QD2 LEU 4 far 0 92 0 - 3.7-4.5 HG3 ARG 30 - QD2 LEU 4 far 0 77 0 - 5.5-7.5 HG12 ILE 56 - QD1 LEU 55 far 0 46 0 - 6.2-6.6 HB3 LEU 4 - QD1 LEU 55 far 0 55 0 - 6.4-7.0 HG3 ARG 30 - QD1 LEU 55 far 0 36 0 - 6.9-9.0 HG3 LYS 44 - QD2 LEU 4 far 0 100 0 - 7.0-9.4 HB2 LEU 4 - QD1 LEU 55 far 0 55 0 - 7.2-7.8 HG LEU 4 - QD1 LEU 55 far 0 38 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (1.44, 0.68, 25.98 ppm; 2.83 A): 2 out of 11 assignments used, quality = 0.99: * HB3 LEU 4 + QD2 LEU 4 OK 94 100 100 94 2.2-2.3 3.1=77, 3.8/1034=23...(9) HG LEU 4 + QD2 LEU 4 OK 81 81 100 100 2.1-2.1 2.1=100 HB2 LEU 4 - QD2 LEU 4 far 0 100 0 - 3.2-3.2 HG12 ILE 56 - QD2 LEU 4 far 0 92 0 - 3.7-4.5 HG3 ARG 30 - QD2 LEU 4 far 0 77 0 - 5.5-7.5 HG12 ILE 56 - QD1 LEU 55 far 0 46 0 - 6.2-6.6 HB3 LEU 4 - QD1 LEU 55 far 0 55 0 - 6.4-7.0 HG3 ARG 30 - QD1 LEU 55 far 0 36 0 - 6.9-9.0 HG3 LYS 44 - QD2 LEU 4 far 0 100 0 - 7.0-9.4 HB2 LEU 4 - QD1 LEU 55 far 0 55 0 - 7.2-7.8 HG LEU 4 - QD1 LEU 55 far 0 38 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (1.45, 0.68, 25.98 ppm; 2.83 A): 2 out of 17 assignments used, quality = 1.00: * HG LEU 4 + QD2 LEU 4 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 4 + QD2 LEU 4 OK 76 81 100 94 2.2-2.3 3.1=77, 11328/10734=25...(9) HB2 LEU 4 - QD2 LEU 4 far 0 81 0 - 3.2-3.2 HG12 ILE 57 - QD1 LEU 55 far 0 48 0 - 4.3-4.8 HG2 LYS 49 - QD2 LEU 4 far 0 97 0 - 4.7-12.6 HG12 ILE 7 - QD1 LEU 55 far 0 49 0 - 5.3-6.0 HG3 ARG 30 - QD2 LEU 4 far 0 100 0 - 5.5-7.5 HG3 LYS 49 - QD2 LEU 4 far 0 97 0 - 5.6-12.5 HB3 LEU 4 - QD1 LEU 55 far 0 38 0 - 6.4-7.0 HB2 LEU 74 - QD2 LEU 4 far 0 77 0 - 6.7-7.3 HG3 ARG 30 - QD1 LEU 55 far 0 55 0 - 6.9-9.0 HG3 LYS 44 - QD2 LEU 4 far 0 84 0 - 7.0-9.4 HB2 LEU 4 - QD1 LEU 55 far 0 38 0 - 7.2-7.8 HB3 LEU 6 - QD1 LEU 55 far 0 51 0 - 7.8-8.5 HG LEU 4 - QD1 LEU 55 far 0 55 0 - 8.2-8.9 HG12 ILE 57 - QD2 LEU 4 far 0 94 0 - 8.4-8.9 HB3 LEU 6 - QD2 LEU 4 far 0 97 0 - 8.4-8.6 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 31 54 100 58 1.8-2.2 2.1/11139=13...(9) QD1 ILE 56 - QD2 LEU 4 far 0 61 0 - 3.9-4.7 QD1 ILE 54 - QD2 LEU 4 far 0 97 0 - 3.9-4.3 QD1 ILE 5 - QD1 LEU 55 far 0 29 0 - 4.2-4.8 QD1 ILE 71 - QD2 LEU 4 far 0 87 0 - 5.0-5.6 QD1 ILE 5 - QD2 LEU 4 far 0 65 0 - 5.4-6.0 QD1 ILE 56 - QD1 LEU 55 far 0 27 0 - 6.1-6.5 QD1 ILE 54 - QD1 LEU 55 far 0 51 0 - 6.5-6.7 QD1 LEU 4 - QD1 LEU 55 far 0 55 0 - 7.4-7.9 HG13 ILE 15 - QD1 LEU 55 far 0 52 0 - 7.9-10.0 QG1 VAL 22 - QD2 LEU 4 far 0 99 0 - 8.1-8.6 QD1 ILE 71 - QD1 LEU 55 far 0 42 0 - 8.1-8.7 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 3 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 - 9.6-9.9 HB ILE 116 - HA ILE 5 far 0 73 0 - 9.7-10.3 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 2.3-2.4 3.2=100 HG13 ILE 5 + HA ILE 5 OK 99 99 100 100 2.9-3.2 3.9=100 HG13 ILE 57 - HA ILE 5 far 0 65 0 - 7.9-8.8 QG2 VAL 22 - HA ILE 5 far 0 84 0 - 8.0-8.7 QG2 ILE 57 - HA ILE 5 far 0 100 0 - 8.6-9.3 QD2 LEU 82 - HA ILE 5 far 0 73 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (1.81, 4.83, 60.54 ppm; 6.20 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 5 + HA ILE 5 OK 100 100 100 100 3.7-3.8 3.9=100 HB ILE 3 - HA ILE 5 far 0 100 0 - 7.0-7.6 HB3 ARG 105 - HA ILE 5 far 0 94 0 - 9.3-10.2 HG2 ARG 105 - HA ILE 5 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (0.85, 4.83, 60.54 ppm; 6.20 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 5 + HA ILE 5 OK 100 100 100 100 2.9-3.2 3.9=100 QG2 ILE 5 + HA ILE 5 OK 99 99 100 100 2.3-2.4 3.2=100 QG2 VAL 117 - HA ILE 5 poor 15 61 25 - 6.2-6.9 HG13 ILE 57 - HA ILE 5 far 0 84 0 - 7.9-8.8 QG2 VAL 22 - HA ILE 5 far 0 96 0 - 8.0-8.7 QG2 ILE 57 - HA ILE 5 far 0 98 0 - 8.6-9.3 QG2 THR 9 - HA ILE 5 far 0 70 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 2408 from cnoeabs.peaks (0.62, 4.83, 60.54 ppm; 5.97 A): 3 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + HA ILE 5 OK 100 100 100 100 1.9-2.2 4.2=100 QG1 VAL 78 + HA ILE 5 OK 94 94 100 100 2.5-3.3 4.1/9894=84, 9888/3.6=62...(10) QD1 LEU 4 + HA ILE 5 OK 45 65 70 98 5.9-6.2 ~7312=52, ~14=51...(9) QG1 VAL 22 - HA ILE 5 far 0 81 0 - 6.6-7.2 QD1 ILE 18 - HA ILE 5 far 0 90 0 - 8.2-8.7 QD1 ILE 54 - HA ILE 5 far 0 90 0 - 9.2-9.5 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 2.5-2.7 3.9=100 H VAL 29 - HB ILE 5 far 0 90 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 2410 from cnoeabs.peaks (4.83, 1.65, 39.53 ppm; 6.20 A): 1 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 far 0 84 0 - 7.0-7.5 HA ILE 3 - HB ILE 5 far 0 97 0 - 7.8-8.4 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 6 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 2.4-2.5 2.9=100 QG2 VAL 22 - HB ILE 5 far 0 84 0 - 5.4-6.2 HG13 ILE 57 - HB ILE 5 far 0 65 0 - 5.9-6.7 QG2 ILE 57 - HB ILE 5 far 0 100 0 - 7.2-7.8 QG2 ILE 15 - HB ILE 5 far 0 98 0 - 9.0-9.8 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 4 assignments used, quality = 1.00: * HG12 ILE 5 + HB ILE 5 OK 100 100 100 100 2.4-2.5 2.9=100 HB ILE 3 - HB ILE 5 far 0 100 0 - 7.6-8.0 HB ILE 18 - HB ILE 5 far 0 81 0 - 8.3-8.8 HB ILE 57 - HB ILE 5 far 0 73 0 - 8.4-9.1 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 8 assignments used, quality = 1.00: * HG13 ILE 5 + HB ILE 5 OK 100 100 100 100 2.4-2.5 2.9=100 QG2 ILE 5 + HB ILE 5 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 VAL 117 - HB ILE 5 far 0 61 0 - 4.9-5.6 QG2 VAL 22 - HB ILE 5 far 0 96 0 - 5.4-6.2 HG13 ILE 57 - HB ILE 5 far 0 84 0 - 5.9-6.7 QG2 ILE 57 - HB ILE 5 far 0 98 0 - 7.2-7.8 QG2 THR 9 - HB ILE 5 far 0 70 0 - 8.6-8.9 QG2 ILE 15 - HB ILE 5 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (0.62, 1.65, 39.53 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 5 + HB ILE 5 OK 100 100 100 100 3.2-3.2 3.2=100 QG1 VAL 22 - HB ILE 5 far 0 81 0 - 4.2-4.9 QG1 VAL 78 - HB ILE 5 far 0 94 0 - 4.9-5.7 QD1 ILE 18 - HB ILE 5 far 0 90 0 - 6.6-7.1 QD1 LEU 4 - HB ILE 5 far 0 65 0 - 6.9-7.2 QD1 ILE 54 - HB ILE 5 far 0 90 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 2416 from cnoeabs.peaks (8.77, 0.84, 17.12 ppm; 4.97 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 5 + QG2 ILE 5 OK 100 100 100 100 3.8-3.9 4.0=100 H ILE 18 - QG2 ILE 15 far 5 50 10 - 4.8-5.5 H VAL 29 - QG2 ILE 15 far 0 81 0 - 8.4-9.0 H ILE 18 - QG2 ILE 5 far 0 57 0 - 8.6-9.0 H VAL 29 - QG2 ILE 5 far 0 90 0 - 9.8-10.1 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 2.3-2.4 3.2=100 HA ILE 3 - QG2 ILE 5 far 0 97 0 - 7.4-7.9 HA ILE 54 - QG2 ILE 5 far 0 84 0 - 7.9-8.3 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 9 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 far 0 54 0 - 4.2-6.2 HB ILE 116 - QG2 ILE 5 far 0 73 0 - 6.0-6.5 HB2 ARG 30 - QG2 ILE 15 far 0 88 0 - 8.3-8.8 HG LEU 64 - QG2 ILE 5 far 0 99 0 - 8.3-8.7 HB ILE 5 - QG2 ILE 15 far 0 95 0 - 9.0-9.8 HG LEU 114 - QG2 ILE 5 far 0 99 0 - 9.6-10.3 HB2 ARG 30 - QG2 ILE 5 far 0 96 0 - 9.6-10.5 HG LEU 114 - QG2 ILE 15 far 0 92 0 - 9.6-10.3 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): 2 out of 15 assignments used, quality = 1.00: * HG12 ILE 5 + QG2 ILE 5 OK 100 100 100 100 2.2-2.4 3.2=100 HB ILE 57 + QG2 ILE 15 OK 47 65 100 72 3.1-3.6 ~9556=20, ~10773=16...(10) HB ILE 18 - QG2 ILE 15 far 0 72 0 - 4.4-4.9 HB2 LYS 19 - QG2 ILE 15 far 0 54 0 - 4.9-5.5 HB2 LEU 14 - QG2 ILE 15 far 0 65 0 - 5.4-5.7 HB3 ARG 105 - QG2 ILE 5 far 0 94 0 - 6.7-7.3 HB ILE 18 - QG2 ILE 5 far 0 81 0 - 6.7-7.2 HG2 ARG 105 - QG2 ILE 5 far 0 100 0 - 7.2-8.4 HB ILE 3 - QG2 ILE 5 far 0 100 0 - 7.2-7.8 HB ILE 57 - QG2 ILE 5 far 0 73 0 - 7.6-8.2 HB2 ARG 118 - QG2 ILE 5 far 0 96 0 - 8.3-8.7 HB2 LEU 14 - QG2 ILE 5 far 0 73 0 - 8.4-8.8 HB2 LEU 64 - QG2 ILE 5 far 0 65 0 - 8.8-9.3 HB2 LEU 64 - QG2 ILE 15 far 0 58 0 - 9.6-10.3 HB2 LYS 19 - QG2 ILE 5 far 0 61 0 - 9.8-10.4 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): 2 out of 10 assignments used, quality = 1.00: * QD1 ILE 5 + QG2 ILE 5 OK 100 100 100 100 1.9-2.1 3.0=98, 4709/4707=32...(19) HG13 ILE 15 + QG2 ILE 15 OK 76 78 100 97 2.2-2.4 3.2=77, 2.1/2716=54...(10) QG1 VAL 22 - QG2 ILE 5 far 0 81 0 - 3.7-4.2 QG1 VAL 78 - QG2 ILE 5 far 0 94 0 - 4.0-4.5 QD1 ILE 18 - QG2 ILE 15 far 0 81 0 - 4.7-5.1 QD1 ILE 18 - QG2 ILE 5 far 0 90 0 - 4.8-5.2 QG1 VAL 22 - QG2 ILE 15 far 0 72 0 - 6.3-6.9 QD1 LEU 4 - QG2 ILE 5 far 0 65 0 - 6.8-7.0 QD1 ILE 54 - QG2 ILE 5 far 0 90 0 - 8.4-8.7 HG13 ILE 15 - QG2 ILE 5 far 0 87 0 - 8.9-11.1 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 1 assignment used, quality = 1.00: * H ILE 5 + HG12 ILE 5 OK 100 100 100 100 3.8-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (4.83, 1.81, 27.65 ppm; 5.14 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 5 + HG12 ILE 5 OK 100 100 100 100 3.7-3.8 3.9=100 HA ILE 3 - HG12 ILE 5 far 0 97 0 - 7.4-8.0 HA ILE 54 - HG12 ILE 5 far 0 84 0 - 7.7-8.6 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 2 assignments used, quality = 1.00: * HB ILE 5 + HG12 ILE 5 OK 100 100 100 100 2.4-2.5 2.9=100 HB ILE 116 - HG12 ILE 5 far 0 73 0 - 8.7-9.6 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 2.2-2.4 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 - 5.9-6.5 HG13 ILE 57 - HG12 ILE 5 far 0 65 0 - 8.0-8.7 QG2 ILE 57 - HG12 ILE 5 far 0 100 0 - 9.0-9.6 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 2.2-2.4 3.2=100 QG2 VAL 117 - HG12 ILE 5 far 0 61 0 - 4.7-5.6 QG2 VAL 22 - HG12 ILE 5 far 0 96 0 - 5.9-6.5 HG13 ILE 57 - HG12 ILE 5 far 0 84 0 - 8.0-8.7 QG2 ILE 57 - HG12 ILE 5 far 0 98 0 - 9.0-9.6 QG2 THR 9 - HG12 ILE 5 far 0 70 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 2429 from cnoeabs.peaks (0.62, 1.81, 27.65 ppm; 3.86 A): 1 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 22 - HG12 ILE 5 far 4 81 5 - 3.9-4.7 QG1 VAL 78 - HG12 ILE 5 far 0 94 0 - 5.7-6.5 QD1 ILE 18 - HG12 ILE 5 far 0 90 0 - 7.2-7.7 QD1 LEU 4 - HG12 ILE 5 far 0 65 0 - 7.9-8.3 QD1 ILE 54 - HG12 ILE 5 far 0 90 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 2430 from cnoeabs.peaks (8.77, 0.85, 27.65 ppm; 6.20 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.5-3.0 4.6=100 H ILE 18 - HG13 ILE 57 far 0 32 0 - 6.7-7.8 H ILE 5 - HG13 ILE 57 far 0 68 0 - 7.2-8.1 H VAL 29 - HG13 ILE 57 far 0 55 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 2431 from cnoeabs.peaks (4.83, 0.85, 27.65 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: * HA ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.9-3.2 3.9=100 HA ILE 3 + HG13 ILE 5 OK 29 97 30 100 5.8-6.5 3.2/9007=94, ~9009=75, ~10739=71 HA ILE 54 - HG13 ILE 5 far 0 84 0 - 6.5-7.3 HA ILE 5 - HG13 ILE 57 far 0 68 0 - 7.9-8.8 HA ILE 54 - HG13 ILE 57 far 0 50 0 - 9.5-10.3 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 4 assignments used, quality = 1.00: * HB ILE 5 + HG13 ILE 5 OK 100 100 100 100 2.4-2.5 2.9=100 HB ILE 5 - HG13 ILE 57 far 0 68 0 - 5.9-6.7 HB2 ARG 30 - HG13 ILE 57 far 0 61 0 - 7.9-9.0 HG2 LYS 16 - HG13 ILE 57 far 0 35 0 - 9.8-11.4 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 8 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 3.0-3.0 2.9=100 HB ILE 18 - HG13 ILE 57 far 0 48 0 - 4.6-5.6 HB ILE 3 - HG13 ILE 5 far 0 100 0 - 5.2-5.7 HB2 LEU 14 - HG13 ILE 57 far 0 43 0 - 6.8-7.7 HB2 LYS 19 - HG13 ILE 57 far 0 35 0 - 7.3-8.6 HG12 ILE 5 - HG13 ILE 57 far 0 68 0 - 8.0-8.7 HB2 LEU 64 - HG13 ILE 57 far 0 37 0 - 9.0-9.6 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): 1 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 QD1 ILE 18 - HG13 ILE 57 far 0 55 0 - 4.0-5.0 HG13 ILE 15 - HG13 ILE 57 far 0 53 0 - 4.7-7.2 QG1 VAL 78 - HG13 ILE 5 far 0 94 0 - 4.7-5.8 QG1 VAL 22 - HG13 ILE 5 far 0 81 0 - 4.9-5.7 QG1 VAL 22 - HG13 ILE 57 far 0 48 0 - 5.4-6.0 QD1 LEU 4 - HG13 ILE 5 far 0 65 0 - 6.5-7.0 QD1 ILE 54 - HG13 ILE 5 far 0 90 0 - 7.6-8.3 QD1 ILE 5 - HG13 ILE 57 far 0 68 0 - 7.9-8.6 QG1 VAL 78 - HG13 ILE 57 far 0 59 0 - 8.2-9.0 QD1 ILE 18 - HG13 ILE 5 far 0 90 0 - 8.3-8.8 QD1 LEU 4 - HG13 ILE 57 far 0 37 0 - 9.3-10.3 QD1 ILE 54 - HG13 ILE 57 far 0 55 0 - 9.7-10.5 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 6 assignments used, quality = 0.93: * H ILE 5 + QD1 ILE 5 OK 89 100 100 89 3.3-4.0 13=54, 3.0/2438=37...(7) H ILE 18 + QD1 ILE 18 OK 38 38 100 99 3.6-3.7 3.0/2906=54, 4.0/2920=53...(13) H VAL 29 - QD1 ILE 54 far 0 64 0 - 4.5-5.3 H ILE 5 - QD1 ILE 54 far 0 78 0 - 6.7-7.1 H MET 42 - QD1 ILE 54 far 0 56 0 - 8.6-9.5 H ILE 5 - QD1 ILE 18 far 0 78 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 2438 from cnoeabs.peaks (4.83, 0.62, 13.41 ppm; 4.05 A): 2 out of 7 assignments used, quality = 1.00: * HA ILE 5 + QD1 ILE 5 OK 99 100 100 99 1.9-2.2 4.2=93, 3.2/2422=43...(8) HA ILE 54 + QD1 ILE 54 OK 59 59 100 100 2.0-2.2 4.2=92, 3.2/4389=68...(11) HA ILE 3 - QD1 ILE 5 far 0 97 0 - 4.7-5.8 HA ILE 54 - QD1 ILE 5 far 0 84 0 - 7.3-8.2 HA ILE 3 - QD1 ILE 54 far 0 72 0 - 7.8-8.2 HA ILE 5 - QD1 ILE 18 far 0 78 0 - 8.2-8.7 HA ILE 5 - QD1 ILE 54 far 0 78 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (1.65, 0.62, 13.41 ppm; 3.42 A increased from 3.21 A): 1 out of 14 assignments used, quality = 1.00: * HB ILE 5 + QD1 ILE 5 OK 100 100 100 100 3.2-3.2 3.2=100 HB2 GLU 52 - QD1 ILE 54 poor 17 66 25 - 3.0-4.6 HD2 LYS 49 - QD1 ILE 54 far 4 72 5 - 2.8-13.6 HD3 LYS 49 - QD1 ILE 54 far 0 72 0 - 4.2-13.6 HG LEU 114 - QD1 ILE 18 far 0 75 0 - 4.6-5.0 HB ILE 116 - QD1 ILE 18 far 0 50 0 - 4.9-5.7 HB2 ARG 30 - QD1 ILE 54 far 0 71 0 - 5.6-6.2 HB ILE 5 - QD1 ILE 18 far 0 78 0 - 6.6-7.1 HG2 LYS 16 - QD1 ILE 18 far 0 41 0 - 6.9-8.3 HD3 LYS 115 - QD1 ILE 18 far 0 59 0 - 7.2-10.6 HB ILE 116 - QD1 ILE 5 far 0 73 0 - 7.5-8.1 HD2 LYS 115 - QD1 ILE 18 far 0 66 0 - 7.8-10.1 HB ILE 5 - QD1 ILE 54 far 0 78 0 - 8.0-8.4 HG LEU 64 - QD1 ILE 5 far 0 99 0 - 9.9-10.3 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 20 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 91 100 100 91 1.9-2.1 3.0=65, 4707/4709=23...(17) QD1 LEU 14 + QD1 ILE 18 OK 36 44 100 82 2.1-2.6 11652=29, 2.1/11651=28...(8) HG13 ILE 57 - QD1 ILE 18 far 0 44 0 - 4.0-5.0 QG2 ILE 57 - QD1 ILE 18 far 0 78 0 - 4.1-4.6 QG2 ILE 15 - QD1 ILE 18 far 0 74 0 - 4.7-5.1 QG2 VAL 22 - QD1 ILE 18 far 0 59 0 - 4.7-5.7 QG2 ILE 5 - QD1 ILE 18 far 0 78 0 - 4.8-5.2 QG2 VAL 22 - QD1 ILE 5 far 0 84 0 - 6.6-7.1 QG2 VAL 22 - QD1 ILE 54 far 0 59 0 - 7.1-7.5 QD2 LEU 82 - QD1 ILE 18 far 0 50 0 - 7.5-7.9 HG13 ILE 5 - QD1 ILE 54 far 0 75 0 - 7.6-8.3 HG13 ILE 57 - QD1 ILE 5 far 0 65 0 - 7.9-8.6 HG13 ILE 5 - QD1 ILE 18 far 0 75 0 - 8.3-8.8 QG2 ILE 57 - QD1 ILE 5 far 0 100 0 - 8.4-8.9 QG2 ILE 5 - QD1 ILE 54 far 0 78 0 - 8.4-8.7 QD2 LEU 82 - QD1 ILE 5 far 0 73 0 - 9.3-9.7 QG2 ILE 57 - QD1 ILE 54 far 0 78 0 - 9.6-10.0 QD1 LEU 14 - QD1 ILE 5 far 0 65 0 - 9.6-10.3 HG13 ILE 57 - QD1 ILE 54 far 0 44 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (1.81, 0.62, 13.41 ppm; 2.92 A): 3 out of 18 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 2.3-2.4 3.2=74, 2.1/2920=55...(14) HB2 LEU 14 + QD1 ILE 18 OK 42 50 100 83 2.5-2.7 3.1/11652=40...(7) HB ILE 3 - QD1 ILE 5 far 0 100 0 - 4.5-5.6 HB ILE 57 - QD1 ILE 18 far 0 50 0 - 6.3-7.1 HB ILE 3 - QD1 ILE 54 far 0 78 0 - 6.8-7.7 HG12 ILE 5 - QD1 ILE 18 far 0 78 0 - 7.2-7.7 HB2 LYS 19 - QD1 ILE 18 far 0 41 0 - 7.4-7.6 HG2 ARG 105 - QD1 ILE 5 far 0 100 0 - 7.6-9.3 HB3 ARG 105 - QD1 ILE 5 far 0 94 0 - 7.6-8.2 HB3 ARG 105 - QD1 ILE 18 far 0 69 0 - 8.1-8.7 HB2 ARG 118 - QD1 ILE 18 far 0 71 0 - 8.2-9.4 HB2 ARG 118 - QD1 ILE 5 far 0 96 0 - 8.3-8.9 HG2 ARG 105 - QD1 ILE 18 far 0 78 0 - 8.4-10.0 HG12 ILE 5 - QD1 ILE 54 far 0 78 0 - 8.6-9.3 HB ILE 18 - QD1 ILE 5 far 0 81 0 - 9.3-9.8 HB ILE 57 - QD1 ILE 54 far 0 50 0 - 9.7-10.2 HB2 LEU 64 - QD1 ILE 18 far 0 44 0 - 9.9-10.4 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 22 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 90 99 100 91 1.9-2.1 3.0=65, 4707/4709=23...(17) QD1 LEU 14 + QD1 ILE 18 OK 51 59 100 86 2.1-2.6 11652=41, 11676/2.1=30...(8) QG2 VAL 117 + QD1 ILE 18 OK 21 41 100 51 1.9-2.5 10524=24, 2.1/10506=16...(6) QG2 THR 9 - QD1 ILE 18 far 0 47 0 - 2.9-3.3 HG13 ILE 57 - QD1 ILE 18 far 0 59 0 - 4.0-5.0 QG2 ILE 57 - QD1 ILE 18 far 0 74 0 - 4.1-4.6 QG2 ILE 15 - QD1 ILE 18 far 0 78 0 - 4.7-5.1 QG2 VAL 22 - QD1 ILE 18 far 0 71 0 - 4.7-5.7 QG2 ILE 5 - QD1 ILE 18 far 0 75 0 - 4.8-5.2 QG2 VAL 117 - QD1 ILE 5 far 0 61 0 - 4.8-5.2 QG2 VAL 22 - QD1 ILE 5 far 0 96 0 - 6.6-7.1 QG2 VAL 22 - QD1 ILE 54 far 0 71 0 - 7.1-7.5 HG13 ILE 5 - QD1 ILE 54 far 0 78 0 - 7.6-8.3 HG13 ILE 57 - QD1 ILE 5 far 0 84 0 - 7.9-8.6 HG13 ILE 5 - QD1 ILE 18 far 0 78 0 - 8.3-8.8 QG2 ILE 57 - QD1 ILE 5 far 0 98 0 - 8.4-8.9 QG2 ILE 5 - QD1 ILE 54 far 0 75 0 - 8.4-8.7 QG2 THR 9 - QD1 ILE 5 far 0 70 0 - 8.8-9.2 QG2 ILE 57 - QD1 ILE 54 far 0 74 0 - 9.6-10.0 QD1 LEU 14 - QD1 ILE 5 far 0 84 0 - 9.6-10.3 HG13 ILE 57 - QD1 ILE 54 far 0 59 0 - 9.7-10.5 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 - 7.9-8.7 HG2 ARG 30 - HA LEU 6 far 0 90 0 - 9.4-10.8 QB ALA 124 - HA LEU 6 far 0 99 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (1.46, 5.35, 53.00 ppm; 3.96 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 7 - HA LEU 6 far 0 100 0 - 5.5-5.8 HG12 ILE 57 - HA LEU 6 far 0 100 0 - 5.8-6.6 HG LEU 80 - HA LEU 6 far 0 70 0 - 7.2-7.7 HG LEU 4 - HA LEU 6 far 0 97 0 - 8.1-8.5 HG3 ARG 30 - HA LEU 6 far 0 98 0 - 9.5-11.2 HB3 LEU 38 - HA LEU 6 far 0 100 0 - 9.8-10.5 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 - 7.9-8.7 QB ALA 124 - HA LEU 6 far 0 73 0 - 9.5-10.1 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 10 assignments used, quality = 1.00: * QD2 LEU 6 + HA LEU 6 OK 100 100 100 100 1.9-2.1 2473=94, 2.1/2480=66...(14) QD2 LEU 55 - HA LEU 6 far 0 100 0 - 4.3-4.8 QG2 VAL 78 - HA LEU 6 far 0 92 0 - 5.3-5.9 QG2 ILE 7 - HA LEU 6 far 0 94 0 - 5.5-5.5 QG1 VAL 117 - HA LEU 6 far 0 81 0 - 7.0-7.4 QG2 ILE 18 - HA LEU 6 far 0 70 0 - 7.1-7.6 QG2 ILE 54 - HA LEU 6 far 0 90 0 - 7.2-7.7 QD1 LEU 45 - HA LEU 6 far 0 61 0 - 7.9-8.5 QD1 LEU 63 - HA LEU 6 far 0 98 0 - 8.8-9.5 QD2 LEU 45 - HA LEU 6 far 0 92 0 - 8.9-9.9 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 8 assignments used, quality = 1.00: * QD1 LEU 6 + HA LEU 6 OK 100 100 100 100 2.4-3.0 2480=94, 2482/3.0=70...(13) QG2 VAL 78 - HA LEU 6 far 0 92 0 - 5.3-5.9 QD1 ILE 57 - HA LEU 6 far 0 96 0 - 6.5-7.2 QD2 LEU 81 - HA LEU 6 far 0 94 0 - 6.7-7.0 QG1 VAL 117 - HA LEU 6 far 0 98 0 - 7.0-7.4 QG2 ILE 18 - HA LEU 6 far 0 100 0 - 7.1-7.6 QD2 LEU 45 - HA LEU 6 far 0 92 0 - 8.9-9.9 QD2 LEU 63 - HA LEU 6 far 0 98 0 - 9.3-10.3 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 2.5-2.7 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 5 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 - 6.3-6.9 HG12 ILE 7 - HB2 LEU 6 far 0 100 0 - 7.0-7.3 HG LEU 4 - HB2 LEU 6 far 0 97 0 - 7.2-7.6 HG12 ILE 57 - HB2 LEU 6 far 0 100 0 - 8.2-9.1 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): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.3-2.4 3.1=100 QG2 VAL 78 - HB2 LEU 6 far 0 92 0 - 3.8-4.5 QD2 LEU 55 - HB2 LEU 6 far 0 100 0 - 6.3-6.8 QG2 ILE 7 - HB2 LEU 6 far 0 94 0 - 7.0-7.1 QD1 LEU 45 - HB2 LEU 6 far 0 61 0 - 7.7-8.1 QG2 ILE 54 - HB2 LEU 6 far 0 90 0 - 8.0-8.6 QG1 VAL 117 - HB2 LEU 6 far 0 81 0 - 8.1-8.6 QG2 ILE 18 - HB2 LEU 6 far 0 70 0 - 9.0-9.5 QD2 LEU 45 - HB2 LEU 6 far 0 92 0 - 9.1-9.8 QD1 LEU 63 - HB2 LEU 6 far 0 98 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (0.71, 1.51, 44.53 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 100 100 3.2-3.2 3.1=100 QG2 VAL 78 - HB2 LEU 6 far 0 92 0 - 3.8-4.5 QD2 LEU 81 - HB2 LEU 6 far 0 94 0 - 7.7-8.1 QG1 VAL 117 - HB2 LEU 6 far 0 98 0 - 8.1-8.6 QD1 ILE 57 - HB2 LEU 6 far 0 96 0 - 8.6-9.3 QG2 ILE 18 - HB2 LEU 6 far 0 100 0 - 9.0-9.5 QD2 LEU 45 - HB2 LEU 6 far 0 92 0 - 9.1-9.8 QD2 LEU 63 - HB2 LEU 6 far 0 98 0 - 9.5-10.7 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 2.7-2.9 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 3.0-3.0 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 2.4-2.5 3.0=100 QB ALA 124 - HB3 LEU 6 far 0 99 0 - 9.5-10.2 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 2.4-2.5 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 - 9.5-10.2 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 3.2-3.2 3.1=100 QG2 VAL 78 - HB3 LEU 6 far 0 92 0 - 5.1-5.9 QG2 ILE 7 - HB3 LEU 6 far 0 94 0 - 6.1-6.2 QD2 LEU 55 - HB3 LEU 6 far 0 100 0 - 6.6-7.1 QG1 VAL 117 - HB3 LEU 6 far 0 81 0 - 7.9-8.3 QG2 ILE 18 - HB3 LEU 6 far 0 70 0 - 8.8-9.2 QD1 LEU 45 - HB3 LEU 6 far 0 61 0 - 9.1-9.6 QG2 ILE 54 - HB3 LEU 6 far 0 90 0 - 9.3-9.8 QD1 LEU 63 - HB3 LEU 6 far 0 98 0 - 10.0-10.6 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 2.1-2.4 3.1=100 QG2 VAL 78 - HB3 LEU 6 far 0 92 0 - 5.1-5.9 QD2 LEU 81 - HB3 LEU 6 far 0 94 0 - 6.7-7.1 QG1 VAL 117 - HB3 LEU 6 far 0 98 0 - 7.9-8.3 QD1 ILE 57 - HB3 LEU 6 far 0 96 0 - 8.7-9.4 QG2 ILE 18 - HB3 LEU 6 far 0 100 0 - 8.8-9.2 QD2 LEU 63 - HB3 LEU 6 far 0 98 0 - 10.0-10.9 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 4.7-4.8 5.1=94, 1047/2.1=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 = 0.98: * HB3 LEU 6 + HG LEU 6 OK 98 100 100 98 2.4-2.5 3.0=81, 2482/2.1=58...(12) HG LEU 80 - HG LEU 6 far 0 70 0 - 5.7-6.5 HG12 ILE 7 - HG LEU 6 far 0 100 0 - 8.0-8.2 HB3 LEU 38 - HG LEU 6 far 0 100 0 - 8.6-9.6 HG LEU 4 - HG LEU 6 far 0 97 0 - 8.8-9.4 HG12 ILE 57 - HG LEU 6 far 0 100 0 - 8.9-9.7 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 - 5.1-5.9 QG2 ILE 7 - HG LEU 6 far 0 94 0 - 7.2-7.4 QD2 LEU 55 - HG LEU 6 far 0 100 0 - 7.4-7.9 QD1 LEU 45 - HG LEU 6 far 0 61 0 - 8.1-8.7 QD1 LEU 63 - HG LEU 6 far 0 98 0 - 8.4-9.1 QG2 ILE 54 - HG LEU 6 far 0 90 0 - 8.8-9.6 QD2 LEU 45 - HG LEU 6 far 0 92 0 - 9.7-10.6 QG1 VAL 117 - HG LEU 6 far 0 81 0 - 9.7-10.1 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 - 5.1-5.9 QD2 LEU 63 - HG LEU 6 far 0 98 0 - 8.0-9.1 QD2 LEU 81 - HG LEU 6 far 0 94 0 - 8.5-8.9 QD1 ILE 57 - HG LEU 6 far 0 96 0 - 9.1-9.8 QD2 LEU 45 - HG LEU 6 far 0 92 0 - 9.7-10.6 QG1 VAL 117 - HG LEU 6 far 0 98 0 - 9.7-10.1 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 1.9-2.1 2449=100, 2450/2.1=70...(14) HA LEU 6 - QD1 LEU 63 far 0 84 0 - 8.8-9.5 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 13 assignments used, quality = 1.00: * HB2 LEU 6 + QD2 LEU 6 OK 96 100 100 96 2.3-2.4 3.1=77, 3.0/2449=34...(10) 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 - 5.6-6.1 HG LEU 38 - QD2 LEU 6 far 0 84 0 - 6.3-6.8 HB3 ARG 30 - QD2 LEU 6 far 0 98 0 - 6.5-7.0 HG2 ARG 30 - QD2 LEU 6 far 0 90 0 - 7.9-8.9 HB2 LYS 61 - QD1 LEU 63 far 0 74 0 - 8.1-8.5 HB3 ARG 30 - QD1 LEU 63 far 0 79 0 - 8.1-9.1 HG LEU 6 - QD1 LEU 63 far 0 67 0 - 8.4-9.1 HB2 LYS 61 - QD2 LEU 6 far 0 94 0 - 8.9-9.5 QB ALA 124 - QD2 LEU 6 far 0 99 0 - 9.1-9.7 HB2 LEU 6 - QD1 LEU 63 far 0 84 0 - 9.7-10.5 HG2 ARG 30 - QD1 LEU 63 far 0 69 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.46, 0.73, 25.37 ppm; 3.21 A increased from 2.85 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 6 + QD2 LEU 6 OK 100 100 100 100 3.2-3.2 3.1=100 HB3 LEU 38 - QD1 LEU 63 far 8 83 10 - 3.3-3.9 HG12 ILE 57 - QD2 LEU 6 far 0 100 0 - 5.5-6.3 HB3 LEU 38 - QD2 LEU 6 far 0 100 0 - 6.2-6.8 HG12 ILE 7 - QD2 LEU 6 far 0 100 0 - 6.3-6.8 HG LEU 80 - QD2 LEU 6 far 0 70 0 - 6.5-7.0 HG LEU 4 - QD2 LEU 6 far 0 97 0 - 6.5-7.4 HG2 LYS 39 - QD1 LEU 63 far 0 84 0 - 7.4-9.5 HG3 ARG 30 - QD2 LEU 6 far 0 98 0 - 7.8-9.4 HG12 ILE 57 - QD1 LEU 63 far 0 83 0 - 8.6-9.1 HB2 LEU 74 - QD2 LEU 6 far 0 96 0 - 8.9-9.9 HG3 ARG 30 - QD1 LEU 63 far 0 79 0 - 9.5-11.0 HG2 LYS 39 - QD2 LEU 6 far 0 100 0 - 9.7-12.1 HB3 LEU 6 - QD1 LEU 63 far 0 84 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (1.52, 0.73, 25.37 ppm; 2.87 A): 2 out of 11 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 84 87 100 96 2.3-2.4 3.1=77, 3.0/2449=34...(10) HG LEU 38 - QD1 LEU 63 far 0 84 0 - 5.6-6.1 HG LEU 38 - QD2 LEU 6 far 0 100 0 - 6.3-6.8 HB3 ARG 30 - QD2 LEU 6 far 0 98 0 - 6.5-7.0 HB2 LYS 61 - QD1 LEU 63 far 0 83 0 - 8.1-8.5 HB3 ARG 30 - QD1 LEU 63 far 0 79 0 - 8.1-9.1 HG LEU 6 - QD1 LEU 63 far 0 84 0 - 8.4-9.1 HB2 LYS 61 - QD2 LEU 6 far 0 100 0 - 8.9-9.5 QB ALA 124 - QD2 LEU 6 far 0 73 0 - 9.1-9.7 HB2 LEU 6 - QD1 LEU 63 far 0 67 0 - 9.7-10.5 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): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 6 + QD2 LEU 6 OK 100 100 100 100 1.9-2.1 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 far 0 92 0 - 4.0-5.1 QD2 LEU 63 - QD2 LEU 6 far 0 98 0 - 5.9-6.9 QD1 ILE 57 - QD2 LEU 6 far 0 96 0 - 6.0-6.8 QD1 LEU 6 - QD1 LEU 63 far 0 84 0 - 6.4-7.0 QD2 LEU 45 - QD2 LEU 6 far 0 92 0 - 6.7-7.7 QD2 LEU 81 - QD2 LEU 6 far 0 94 0 - 7.1-7.6 QG2 ILE 18 - QD2 LEU 6 far 0 100 0 - 7.4-8.0 QG1 VAL 117 - QD2 LEU 6 far 0 98 0 - 7.5-8.0 QD1 ILE 57 - QD1 LEU 63 far 0 76 0 - 7.9-8.4 QD2 LEU 45 - QD1 LEU 63 far 0 72 0 - 9.5-10.4 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 2.4-3.0 2450=100, 3.0/2482=72...(13) Violated in 0 structures by 0.00 A. Peak 2481 from cnoeabs.peaks (1.51, 0.71, 25.51 ppm; 2.80 A): 1 out of 8 assignments used, quality = 0.87: HG LEU 6 + QD1 LEU 6 OK 87 87 100 100 2.1-2.1 2.1=100 ! HB2 LEU 6 - QD1 LEU 6 far 0 100 0 - 3.2-3.2 HB2 LYS 61 - QD1 LEU 6 far 0 94 0 - 7.2-7.9 HG LEU 38 - QD1 LEU 6 far 0 84 0 - 8.1-8.5 HB3 ARG 30 - QD1 LEU 6 far 0 98 0 - 8.3-8.9 QB ALA 124 - QD1 LEU 6 far 0 99 0 - 9.7-10.3 HB3 LEU 14 - QD1 LEU 6 far 0 92 0 - 9.9-10.4 HG2 ARG 30 - QD1 LEU 6 far 0 90 0 - 9.9-10.9 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 2.1-2.4 3.1=71, 2468/2.1=59...(10) HG LEU 80 - QD1 LEU 6 far 0 70 0 - 4.1-4.8 HG12 ILE 7 - QD1 LEU 6 far 0 100 0 - 5.3-5.5 HG12 ILE 57 - QD1 LEU 6 far 0 100 0 - 6.1-7.1 HB3 LEU 38 - QD1 LEU 6 far 0 100 0 - 7.7-8.2 HG LEU 4 - QD1 LEU 6 far 0 97 0 - 8.9-9.3 HG2 LYS 106 - QD1 LEU 6 far 0 100 0 - 9.7-10.8 HG3 ARG 30 - QD1 LEU 6 far 0 98 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (1.52, 0.71, 25.51 ppm; 2.80 A): 1 out of 8 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 far 0 87 0 - 3.2-3.2 HB2 LYS 61 - QD1 LEU 6 far 0 100 0 - 7.2-7.9 HG LEU 38 - QD1 LEU 6 far 0 100 0 - 8.1-8.5 HB3 ARG 30 - QD1 LEU 6 far 0 98 0 - 8.3-8.9 HD3 LYS 94 - QD1 LEU 6 far 0 70 0 - 9.4-11.0 QB ALA 124 - QD1 LEU 6 far 0 73 0 - 9.7-10.3 HD2 LYS 94 - QD1 LEU 6 far 0 70 0 - 9.8-11.3 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 1.9-2.1 2.1=100 QG2 ILE 7 - QD1 LEU 6 far 0 94 0 - 4.5-4.7 QD2 LEU 55 - QD1 LEU 6 far 0 100 0 - 5.4-5.9 QG2 VAL 78 - QD1 LEU 6 far 0 92 0 - 5.7-6.4 QD1 LEU 63 - QD1 LEU 6 far 0 98 0 - 6.4-7.0 QG2 ILE 18 - QD1 LEU 6 far 0 70 0 - 7.2-7.7 QG1 VAL 117 - QD1 LEU 6 far 0 81 0 - 7.4-7.8 QD1 LEU 45 - QD1 LEU 6 far 0 61 0 - 7.9-8.5 QG2 ILE 54 - QD1 LEU 6 far 0 90 0 - 8.0-8.5 QD2 LEU 45 - QD1 LEU 6 far 0 92 0 - 8.9-9.8 HG13 ILE 18 - QD1 LEU 6 far 0 98 0 - 9.8-10.4 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 - 7.6-8.6 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 9 assignments used, quality = 1.00: * QG2 ILE 7 + HA ILE 7 OK 100 100 100 100 2.3-2.4 3.2=100 QD2 LEU 6 - HA ILE 7 far 0 94 0 - 4.6-5.3 QD2 LEU 55 - HA ILE 7 far 0 96 0 - 5.6-6.1 QG1 VAL 107 - HA ILE 7 far 0 61 0 - 6.0-6.3 QG2 VAL 78 - HA ILE 7 far 0 61 0 - 8.4-9.0 HG13 ILE 18 - HA ILE 7 far 0 77 0 - 8.4-8.8 QD2 LEU 14 - HA ILE 7 far 0 61 0 - 9.0-9.4 QG2 VAL 32 - HA ILE 7 far 0 61 0 - 9.9-10.7 QD1 LEU 63 - HA ILE 7 far 0 100 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 2490 from cnoeabs.peaks (1.46, 5.18, 58.22 ppm; 4.69 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 7 + HA ILE 7 OK 100 100 100 100 2.8-2.9 3.8=100 HB3 LEU 6 + HA ILE 7 OK 100 100 100 100 4.4-4.5 10954/2492=74...(14) HG LEU 80 - HA ILE 7 far 0 65 0 - 5.4-5.8 HG12 ILE 57 - HA ILE 7 far 0 100 0 - 7.1-8.0 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 2.6-2.7 3.8=100 HG3 LYS 61 - HA ILE 7 far 0 99 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (0.77, 5.18, 58.22 ppm; 3.69 A increased from 3.47 A): 1 out of 9 assignments used, quality = 0.72: QD1 LEU 80 + HA ILE 7 OK 72 96 100 75 3.3-3.5 509/9951=48, 11625=41...(4) ! QD1 ILE 7 - HA ILE 7 far 0 100 0 - 3.8-3.9 QD2 LEU 80 - HA ILE 7 far 0 94 0 - 5.9-6.2 QG1 VAL 107 - HA ILE 7 far 0 99 0 - 6.0-6.3 QD1 LEU 82 - HA ILE 7 far 0 90 0 - 6.3-6.8 QD2 LEU 64 - HA ILE 7 far 0 73 0 - 6.8-7.3 QD1 ILE 15 - HA ILE 7 far 0 100 0 - 7.0-9.1 QD2 LEU 14 - HA ILE 7 far 0 99 0 - 9.0-9.4 QG2 VAL 32 - HA ILE 7 far 0 99 0 - 9.9-10.7 Violated in 0 structures by 0.00 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 2.7-2.8 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): 1 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 far 0 96 0 - 3.5-4.1 QD2 LEU 6 - HB ILE 7 far 0 94 0 - 5.0-5.7 HG13 ILE 18 - HB ILE 7 far 0 77 0 - 6.3-6.9 QG1 VAL 107 - HB ILE 7 far 0 61 0 - 6.8-7.3 QD2 LEU 14 - HB ILE 7 far 0 61 0 - 8.2-8.6 QG2 VAL 32 - HB ILE 7 far 0 61 0 - 8.8-9.7 QG2 VAL 78 - HB ILE 7 far 0 61 0 - 8.8-9.5 QG2 ILE 54 - HB ILE 7 far 0 100 0 - 9.2-9.7 QD1 LEU 63 - HB ILE 7 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2497 from cnoeabs.peaks (1.46, 1.89, 40.15 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 57 - HB ILE 7 far 0 100 0 - 4.5-5.4 HB3 LEU 6 - HB ILE 7 far 0 100 0 - 6.3-6.4 HG LEU 80 - HB ILE 7 far 0 65 0 - 8.4-8.8 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 2.7-2.7 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 2.2-2.3 3.2=100 QD1 ILE 15 - HB ILE 7 far 0 100 0 - 5.3-7.7 QD1 LEU 80 - HB ILE 7 far 0 96 0 - 5.7-6.0 QG1 VAL 107 - HB ILE 7 far 0 99 0 - 6.8-7.3 QD2 LEU 14 - HB ILE 7 far 0 99 0 - 8.2-8.6 QD2 LEU 80 - HB ILE 7 far 0 94 0 - 8.3-8.6 QD1 LEU 82 - HB ILE 7 far 0 90 0 - 8.8-9.1 QD2 LEU 64 - HB ILE 7 far 0 73 0 - 8.8-9.1 QG2 VAL 32 - HB ILE 7 far 0 99 0 - 8.8-9.7 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 2.3-2.4 3.2=100 HA VAL 78 - QG2 ILE 7 far 0 77 0 - 9.8-10.2 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 4 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 - 7.5-8.5 HB2 LYS 16 - QG2 ILE 7 far 0 87 0 - 9.6-10.6 HB3 LYS 16 - QG2 ILE 7 far 0 90 0 - 9.9-10.6 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 5 assignments used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.1-2.2 3.2=100 HG12 ILE 57 - QG2 ILE 7 far 0 100 0 - 5.4-6.2 HB3 LEU 6 - QG2 ILE 7 far 0 100 0 - 6.1-6.2 HG LEU 80 - QG2 ILE 7 far 0 65 0 - 6.5-6.8 HG2 LYS 106 - QG2 ILE 7 far 0 100 0 - 8.7-9.7 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 3.1-3.1 3.2=100 QG2 THR 108 - QG2 ILE 7 far 0 99 0 - 8.3-9.0 HG3 LYS 61 - QG2 ILE 7 far 0 99 0 - 9.0-12.5 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 4.3-4.5 1055/2.1=93, 1054/1.8=90...(8) 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 2.8-2.9 3.8=100 HA VAL 78 - HG12 ILE 7 far 0 77 0 - 9.5-10.0 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 3.0-3.0 3.0=100 QE MET 67 - HG12 ILE 7 far 0 87 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (0.74, 1.46, 27.10 ppm; 2.97 A): 1 out of 7 assignments used, quality = 0.98: * QG2 ILE 7 + HG12 ILE 7 OK 98 100 100 98 2.1-2.2 3.2=81, 2524/2.1=64...(9) QD2 LEU 55 - HG12 ILE 7 far 0 96 0 - 5.0-5.6 QG1 VAL 107 - HG12 ILE 7 far 0 61 0 - 5.5-5.9 HG13 ILE 18 - HG12 ILE 7 far 0 77 0 - 6.2-6.5 QD2 LEU 6 - HG12 ILE 7 far 0 94 0 - 6.3-6.8 QD2 LEU 14 - HG12 ILE 7 far 0 61 0 - 8.5-8.9 QG2 VAL 78 - HG12 ILE 7 far 0 61 0 - 8.8-9.5 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 8 assignments used, quality = 1.00: * QD1 ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 80 - HG12 ILE 7 far 0 96 0 - 5.3-5.5 QG1 VAL 107 - HG12 ILE 7 far 0 99 0 - 5.5-5.9 QD1 ILE 15 - HG12 ILE 7 far 0 100 0 - 7.3-9.7 QD2 LEU 80 - HG12 ILE 7 far 0 94 0 - 7.7-7.9 QD1 LEU 82 - HG12 ILE 7 far 0 90 0 - 8.0-8.4 QD2 LEU 14 - HG12 ILE 7 far 0 99 0 - 8.5-8.9 QD2 LEU 64 - HG12 ILE 7 far 0 73 0 - 9.2-9.6 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 2.9-3.2 1054=100, 1055/2.1=92...(6) 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 2.6-2.7 3.8=100 HA VAL 78 - HG13 ILE 7 far 0 77 0 - 8.1-8.5 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 2.7-2.7 3.0=100 QE MET 67 - HG13 ILE 7 far 0 87 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (0.74, 1.25, 27.10 ppm; 3.22 A increased from 3.03 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 7 + HG13 ILE 7 OK 100 100 100 100 3.1-3.1 3.2=100 QD2 LEU 55 - HG13 ILE 7 far 0 96 0 - 4.1-4.8 QD2 LEU 6 - HG13 ILE 7 far 0 94 0 - 5.0-5.5 QG1 VAL 107 - HG13 ILE 7 far 0 61 0 - 6.8-7.2 HG13 ILE 18 - HG13 ILE 7 far 0 77 0 - 7.2-7.7 QG2 VAL 78 - HG13 ILE 7 far 0 61 0 - 7.5-8.1 QG2 ILE 54 - HG13 ILE 7 far 0 100 0 - 9.3-9.9 QD2 LEU 14 - HG13 ILE 7 far 0 61 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 2518 from cnoeabs.peaks (1.46, 1.25, 27.10 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 7 + HG13 ILE 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 6 - HG13 ILE 7 far 0 100 0 - 4.7-4.9 HG12 ILE 57 - HG13 ILE 7 far 0 100 0 - 6.1-7.2 HG LEU 80 - HG13 ILE 7 far 0 65 0 - 7.0-7.3 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 8 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 - 4.8-5.0 QG1 VAL 107 - HG13 ILE 7 far 0 99 0 - 6.8-7.2 QD2 LEU 80 - HG13 ILE 7 far 0 94 0 - 7.3-7.5 QD1 ILE 15 - HG13 ILE 7 far 0 100 0 - 7.5-9.9 QD1 LEU 82 - HG13 ILE 7 far 0 90 0 - 8.1-8.7 QD2 LEU 64 - HG13 ILE 7 far 0 73 0 - 8.6-9.0 QD2 LEU 14 - HG13 ILE 7 far 0 99 0 - 9.7-10.0 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 3.5-3.7 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 3.8-3.9 4.1=92, 3.2/2524=73...(13) HA VAL 78 - QD1 ILE 7 far 0 77 0 - 7.7-8.1 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 3 assignments used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.2-2.3 3.2=100 QE MET 67 - QD1 ILE 7 far 0 87 0 - 7.5-8.3 HB2 LYS 20 - QD1 ILE 7 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2524 from cnoeabs.peaks (0.74, 0.77, 14.16 ppm; 2.55 A increased from 2.40 A): 1 out of 12 assignments used, quality = 0.90: * QG2 ILE 7 + QD1 ILE 7 OK 90 100 100 90 2.3-2.4 3.3=48, 2510/2.1=45...(9) QD2 LEU 55 - QD1 ILE 7 poor 11 96 55 20 2.4-3.0 2.1/11617=20 HG13 ILE 18 - QD1 ILE 7 far 0 77 0 - 4.0-4.5 QD2 LEU 6 - QD1 ILE 7 far 0 94 0 - 5.3-5.7 QG1 VAL 107 - QD1 ILE 7 far 0 61 0 - 5.9-6.2 QG2 VAL 78 - QD1 ILE 7 far 0 61 0 - 7.1-7.6 QD2 LEU 14 - QD1 ILE 7 far 0 61 0 - 7.3-7.5 QG2 ILE 54 - QD1 ILE 7 far 0 100 0 - 7.5-8.0 QG2 VAL 32 - QD1 ILE 7 far 0 61 0 - 8.5-9.1 QD1 LEU 45 - QD1 ILE 7 far 0 92 0 - 9.5-10.2 QD1 LEU 63 - QD1 ILE 7 far 0 100 0 - 9.8-10.3 QD2 LEU 45 - QD1 ILE 7 far 0 61 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 2525 from cnoeabs.peaks (1.46, 0.77, 14.16 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 57 - QD1 ILE 7 far 0 100 0 - 4.3-5.1 HB3 LEU 6 - QD1 ILE 7 far 0 100 0 - 5.8-6.0 HG LEU 80 - QD1 ILE 7 far 0 65 0 - 7.8-8.0 HG LEU 4 - QD1 ILE 7 far 0 96 0 - 9.4-9.7 HG3 ARG 30 - QD1 ILE 7 far 0 97 0 - 9.6-10.8 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 2 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 - 9.6-11.9 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 - 7.2-8.7 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 2.1-3.8 823=100, 1.7/829=74...(5) 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 2.8-4.2 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 2.3-2.9 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 2.2-3.6 3.5=100 H TYR 76 - HE3 LYS 2 far 0 75 0 - 5.8-9.5 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 2.6-3.4 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 - 8.0-10.0 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 2.2-4.1 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 3.5-4.1 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 2 assignments used, quality = 1.00: * H THR 9 + HA THR 9 OK 100 100 100 100 2.9-2.9 3.0=100 H ASP 109 - HA THR 9 far 0 96 0 - 9.8-10.2 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 2 assignments used, quality = 1.00: * HB THR 9 + HA THR 9 OK 100 100 100 100 2.3-2.3 3.0=100 HA GLN 85 - HA THR 9 far 0 84 0 - 9.4-9.9 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 3.5-3.6 4.0=100 H ASP 109 - HB THR 9 far 0 96 0 - 8.9-9.5 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 2.3-2.3 3.0=100 HA ASP 109 - HB THR 9 far 0 100 0 - 9.3-10.0 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): 1 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 far 0 99 0 - 4.4-4.7 QG2 VAL 107 - HB THR 9 far 0 99 0 - 6.0-6.4 QG2 VAL 117 - HB THR 9 far 0 100 0 - 6.4-7.0 QG2 ILE 15 - HB THR 9 far 0 73 0 - 6.5-7.0 HG13 ILE 57 - HB THR 9 far 0 99 0 - 7.2-8.3 QD2 LEU 90 - HB THR 9 far 0 61 0 - 7.7-8.5 QG2 VAL 22 - HB THR 9 far 0 94 0 - 9.5-10.9 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 4 assignments used, quality = 1.00: * H THR 9 + QG2 THR 9 OK 100 100 100 100 1.9-2.1 3.9=100 H ASP 109 - QG2 THR 9 far 0 96 0 - 9.3-9.8 H VAL 22 - QG2 THR 9 far 0 97 0 - 9.3-9.6 H ARG 118 - QG2 THR 9 far 0 65 0 - 9.9-10.5 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 2 assignments used, quality = 1.00: * HA THR 9 + QG2 THR 9 OK 100 100 100 100 3.1-3.1 3.2=100 HA ASP 109 - QG2 THR 9 far 0 100 0 - 9.4-10.0 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 - 7.0-7.4 H GLN 62 - HA ASN 10 far 0 98 0 - 10.0-11.0 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 2 assignments used, quality = 1.00: * HB2 ASN 10 + HA ASN 10 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 8 - HA ASN 10 far 0 77 0 - 7.1-8.0 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 3.5-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2564 from cnoeabs.peaks (8.44, 2.91, 39.32 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 10 + HB2 ASN 10 OK 100 100 100 100 2.2-3.6 4.0=100 H GLN 83 - HB2 ASN 10 far 0 100 0 - 5.9-8.0 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 2.5-3.0 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 2.2-4.0 3.5=100 HE21 GLN 85 - HB2 ASN 10 far 0 70 0 - 5.8-12.5 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 2.4-4.1 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 2 assignments used, quality = 1.00: * H ASN 10 + HB3 ASN 10 OK 100 100 100 100 2.3-3.7 4.0=100 H GLN 83 - HB3 ASN 10 far 0 100 0 - 5.8-8.1 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 - 6.9-9.6 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 2.1-3.7 3.5=100 HE21 GLN 85 - HB3 ASN 10 far 0 70 0 - 6.0-11.8 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 2.1-3.8 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 3.0-3.0 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 2.6-2.7 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 2.3-2.9 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 3.0-3.0 3.0=100 HA ASN 59 - HB2 ASN 11 far 0 65 0 - 8.4-9.3 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 - 9.5-10.5 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 2.2-2.6 3.5=100 HD22 ASN 11 + HB2 ASN 11 OK 100 100 100 100 3.5-3.6 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 2.5-3.6 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 2.6-2.7 3.0=100 HA ASN 59 - HB3 ASN 11 far 0 65 0 - 8.7-10.0 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 2.5-2.9 3.5=100 HD22 ASN 11 + HB3 ASN 11 OK 100 100 100 100 3.6-3.8 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 2.8-2.8 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 2.4-2.7 3.0=100 * HB2 ASP 12 + HA ASP 12 OK 100 100 100 100 3.0-3.0 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 2.4-2.7 3.0=100 HB2 ASP 12 + HA ASP 12 OK 100 100 100 100 3.0-3.0 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 100 100 100 100 2.2-2.9 1081=100, 1861/60=53...(4) H ASP 12 + HB3 ASP 12 OK 99 100 100 99 2.2-3.6 1080/1.8=90, 4.0=76...(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 2.4-2.7 3.0=100 * HA ASP 12 + HB2 ASP 12 OK 100 100 100 100 3.0-3.0 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 100 100 100 100 2.2-2.9 1081=100, 1861/60=53...(4) * H ASP 12 + HB3 ASP 12 OK 99 100 100 99 2.2-3.6 1080/1.8=90, 4.0=76...(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 2.4-2.7 3.0=100 HA ASP 12 + HB2 ASP 12 OK 100 100 100 100 3.0-3.0 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 2.8-2.9 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): 1 out of 10 assignments used, quality = 0.98: * HB2 GLU 13 + HA GLU 13 OK 98 100 100 98 2.4-2.7 3.0=75, 2626/2625=36...(15) HB2 GLU 92 - HA GLU 92 far 3 52 5 - 2.6-3.0 HB2 LYS 94 - HA GLU 92 far 0 61 0 - 5.2-6.8 HB3 GLU 91 - HA GLU 92 far 0 62 0 - 5.4-5.4 HB3 MET 67 - HA GLU 66 far 0 70 0 - 6.0-6.1 HB3 MET 121 - HA LYS 123 far 0 55 0 - 7.5-8.0 HB3 GLU 98 - HA GLU 92 far 0 52 0 - 8.2-9.0 HG2 GLU 119 - HA LYS 123 far 0 58 0 - 8.6-10.0 HB3 GLN 100 - HA GLU 66 far 0 67 0 - 9.9-11.3 HB3 PHE 79 - HA LYS 123 far 0 60 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (2.16, 4.03, 59.01 ppm; 3.15 A increased from 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=100 HB2 GLU 98 - HA GLU 92 far 0 32 0 - 7.7-8.4 HB3 GLN 62 - HA GLU 66 far 0 91 0 - 7.7-8.1 HB2 GLN 62 - HA GLU 66 far 0 91 0 - 8.1-8.5 Violated in 0 structures by 0.00 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 2.2-2.6 2625=100, 2626/2608=70...(13) HB3 PHE 120 - HA LYS 123 far 0 41 0 - 7.0-7.7 HG2 GLU 98 - HA GLU 92 far 0 40 0 - 8.9-11.0 HG3 GLN 100 - HA GLU 66 far 0 85 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2611 from cnoeabs.peaks (2.31, 4.03, 59.01 ppm; 3.41 A increased from 3.20 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 13 + HA GLU 13 OK 100 100 100 100 3.0-3.4 1.8/2625=72, 2633/3.0=68...(14) HG2 GLU 92 + HA GLU 92 OK 36 61 60 100 2.2-4.2 5868/3.0=63, 4.0=62...(18) HG3 GLU 89 - HA GLU 92 far 0 64 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2612 from cnoeabs.peaks (8.29, 2.06, 28.71 ppm; 3.67 A increased from 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=87...(12) Violated in 0 structures by 0.00 A. Peak 2613 from cnoeabs.peaks (4.03, 2.06, 28.71 ppm; 2.90 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 13 + HB2 GLU 13 OK 100 100 100 100 2.4-2.7 2608=100, 2625/2626=41...(16) HA GLU 92 + HB2 GLU 92 OK 33 50 65 100 2.6-3.0 3.0=91, 4886/1.8=71...(28) HA GLU 87 - HB3 GLU 91 far 0 54 0 - 4.0-4.4 HA GLU 92 - HB3 GLU 91 far 0 59 0 - 5.4-5.4 HA GLU 87 - HB2 GLU 92 far 0 46 0 - 7.5-7.9 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 3 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 - 8.8-9.3 HB2 GLU 98 - HB2 GLU 92 far 0 26 0 - 9.8-10.4 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 2 assignments used, quality = 1.00: * HG2 GLU 13 + HB2 GLU 13 OK 100 100 100 100 2.4-2.6 2626=100, 2625/2608=37...(13) HG2 GLU 98 - HB3 GLU 91 far 0 39 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 2617 from cnoeabs.peaks (2.31, 2.06, 28.71 ppm; 3.06 A increased from 2.72 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 13 + HB2 GLU 13 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 92 + HB2 GLU 92 OK 50 50 100 100 2.3-3.0 3.0=100 HG3 GLU 89 - HB2 GLU 92 far 0 53 0 - 5.5-6.5 HG2 GLU 92 - HB3 GLU 91 far 0 59 0 - 6.0-7.2 HG2 GLU 87 - HB3 GLU 91 far 0 41 0 - 6.1-6.5 HG3 GLU 87 - HB3 GLU 91 far 0 41 0 - 6.5-6.8 HG3 GLU 89 - HB3 GLU 91 far 0 63 0 - 6.7-8.1 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 2.2-2.6 1085=100, 1084/1.8=69...(15) 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 3.0-3.0 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 2.3-2.4 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 3.0-3.8 1086=99, 1087/1.8=80...(14) 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 2.2-2.6 2610=94, 2608/2626=68...(13) Violated in 0 structures by 0.00 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 2.4-2.6 2616=100, 2608/2625=37...(13) Violated in 0 structures by 0.00 A. Peak 2627 from cnoeabs.peaks (2.16, 2.36, 36.01 ppm; 3.11 A increased from 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 13 + HG2 GLU 13 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 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 2.1-3.0 1087=100, 2624/1.8=78...(12) Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (4.03, 2.31, 36.01 ppm; 3.42 A increased from 3.04 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 13 + HG3 GLU 13 OK 100 100 100 100 3.0-3.4 2611=73, 2625/1.8=73...(14) HA GLU 92 + HG2 GLU 92 OK 55 92 60 100 2.2-4.2 8134/3.0=64, 4.0=63...(18) HA GLU 87 - HG3 GLU 89 far 0 94 0 - 4.8-7.0 HA PHE 120 - HG3 GLU 103 far 0 42 0 - 6.3-8.8 HA3 GLY 101 - HG3 GLU 103 far 0 24 0 - 7.2-10.7 HA GLU 92 - HG3 GLU 89 far 0 98 0 - 8.1-9.1 HA GLU 87 - HG2 GLU 92 far 0 87 0 - 8.6-9.7 HA GLU 119 - HG3 GLU 103 far 0 43 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (2.06, 2.31, 36.01 ppm; 3.00 A increased from 2.40 A): 2 out of 14 assignments used, quality = 1.00: * HB2 GLU 13 + HG3 GLU 13 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 92 + HG2 GLU 92 OK 82 82 100 100 2.3-3.0 3.0=100 HB2 GLU 47 - HG3 GLU 48 far 0 79 0 - 3.9-8.0 HB2 GLU 92 - HG3 GLU 89 far 0 89 0 - 5.5-6.5 HB3 PHE 79 - HG3 GLU 103 far 0 34 0 - 5.5-8.5 HB3 GLU 91 - HG2 GLU 92 far 0 93 0 - 6.0-7.2 HB3 GLU 91 - HG3 GLU 89 far 0 99 0 - 6.7-8.1 HB2 LYS 94 - HG2 GLU 92 far 0 92 0 - 7.2-9.2 HB2 LYS 94 - HG3 GLU 89 far 0 98 0 - 8.3-11.3 HB3 GLU 98 - HG3 GLU 103 far 0 34 0 - 8.4-10.6 HB3 GLN 100 - HG3 GLU 103 far 0 26 0 - 8.9-11.8 HG2 GLU 119 - HG3 GLU 103 far 0 32 0 - 9.2-12.6 HB2 LYS 94 - HG3 GLU 103 far 0 40 0 - 9.4-12.4 HB2 GLN 28 - HG3 GLU 48 far 0 86 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 2633 from cnoeabs.peaks (2.16, 2.31, 36.01 ppm; 2.55 A): 1 out of 4 assignments used, quality = 0.94: * HB3 GLU 13 + HG3 GLU 13 OK 94 100 100 94 2.3-2.4 3.0=62, ~2626=29...(10) HB2 GLN 85 - HG3 GLU 89 far 0 84 0 - 7.8-10.2 HB2 GLU 98 - HG3 GLU 103 far 0 21 0 - 8.1-9.7 HB2 GLU 98 - HG2 GLU 92 far 0 55 0 - 9.9-11.6 Violated in 0 structures by 0.00 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 - 5.5-8.4 HB3 PHE 120 - HG3 GLU 103 far 0 22 0 - 6.1-9.0 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 2.8-2.9 3.0=100 H LYS 17 + HA LEU 14 OK 78 98 85 94 3.5-3.9 1115/7979=45...(10) 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 100 100 2.6-2.7 3.0=100 HB ILE 18 - HA LEU 14 far 0 100 0 - 4.6-5.1 HB3 LYS 19 - HA LEU 14 far 0 90 0 - 7.3-7.7 HB ILE 57 - HA LEU 14 far 0 100 0 - 9.8-10.5 QE MET 121 - HA LEU 14 far 0 97 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (1.50, 3.98, 57.26 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 100 100 2.9-3.0 3.0=100 HD3 LYS 17 - HA LEU 14 far 0 61 0 - 4.0-4.4 HG2 LYS 20 - HA LEU 14 far 0 96 0 - 7.6-8.2 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 3.6-3.7 3.7=100 HG3 LYS 16 - HA LEU 14 far 0 65 0 - 4.6-5.8 HB3 LEU 114 - HA LEU 14 far 0 61 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (0.86, 3.98, 57.26 ppm; 3.22 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + HA LEU 14 OK 100 100 100 100 1.9-2.0 2665=100, 1093/3.0=39...(14) QG2 THR 9 - HA LEU 14 far 0 99 0 - 4.4-4.6 QG2 ILE 15 - HA LEU 14 far 0 87 0 - 6.1-6.1 QG2 VAL 117 - HA LEU 14 far 0 98 0 - 6.3-7.0 QG2 ILE 57 - HA LEU 14 far 0 61 0 - 6.6-7.1 QG2 VAL 107 - HA LEU 14 far 0 94 0 - 7.2-7.6 QG2 VAL 22 - HA LEU 14 far 0 99 0 - 7.9-8.8 HG13 ILE 57 - HA LEU 14 far 0 100 0 - 8.2-9.2 QG2 ILE 5 - HA LEU 14 far 0 65 0 - 9.7-10.2 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 2.7-2.9 4.0=100 QD1 ILE 15 - HA LEU 14 far 0 100 0 - 4.5-6.4 QG2 ILE 7 - HA LEU 14 far 0 61 0 - 6.0-6.3 QG1 VAL 107 - HA LEU 14 far 0 100 0 - 7.0-7.7 QD1 ILE 7 - HA LEU 14 far 0 99 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (7.58, 1.82, 40.10 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB2 LEU 14 OK 100 100 100 100 3.4-3.5 4.0=100 H LYS 17 - HB2 LEU 14 far 0 98 0 - 5.5-5.8 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 4 assignments used, quality = 1.00: * HA LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.6-2.7 3.0=100 HA LYS 17 - HB2 LEU 14 far 0 97 0 - 7.5-7.8 HA GLU 111 - HB2 LEU 14 far 0 100 0 - 8.0-8.5 HA GLU 112 - HB2 LEU 14 far 0 87 0 - 9.6-10.2 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 0 61 0 - 6.6-7.0 HG2 LYS 20 - HB2 LEU 14 far 0 96 0 - 9.3-9.8 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 2.3-2.4 3.0=100 HG3 LYS 16 - HB2 LEU 14 far 0 65 0 - 6.4-7.2 HB3 LEU 114 - HB2 LEU 14 far 0 61 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (0.86, 1.82, 40.10 ppm; 4.07 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.4-2.5 3.1=100 QG2 THR 9 + HB2 LEU 14 OK 95 99 100 95 2.2-2.6 10756/3.0=46, 9125/70=43...(10) QG2 ILE 57 - HB2 LEU 14 far 0 61 0 - 5.2-5.8 QG2 ILE 15 - HB2 LEU 14 far 0 87 0 - 5.4-5.7 QG2 VAL 117 - HB2 LEU 14 far 0 98 0 - 5.5-6.2 QG2 VAL 107 - HB2 LEU 14 far 0 94 0 - 6.3-6.8 HG13 ILE 57 - HB2 LEU 14 far 0 100 0 - 6.8-7.7 QG2 VAL 22 - HB2 LEU 14 far 0 99 0 - 7.9-8.9 QG2 ILE 5 - HB2 LEU 14 far 0 65 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 2649 from cnoeabs.peaks (0.76, 1.82, 40.10 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 ILE 15 - HB2 LEU 14 far 10 100 10 - 3.0-5.6 QG2 ILE 7 - HB2 LEU 14 far 0 61 0 - 4.0-4.4 QG1 VAL 107 - HB2 LEU 14 far 0 100 0 - 5.5-6.2 QD1 ILE 7 - HB2 LEU 14 far 0 99 0 - 5.8-6.1 QD1 LEU 80 - HB2 LEU 14 far 0 87 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (7.58, 1.50, 40.10 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.1-2.2 4.0=100 H LYS 17 - HB3 LEU 14 far 0 98 0 - 5.7-6.0 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 2.9-3.0 3.0=100 HA LYS 17 - HB3 LEU 14 far 0 97 0 - 7.9-8.3 HA GLU 111 - HB3 LEU 14 far 0 100 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (1.82, 1.50, 40.10 ppm; 3.75 A): 1 out of 4 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 far 0 100 0 - 5.8-6.3 HB3 LYS 19 - HB3 LEU 14 far 0 90 0 - 8.9-9.4 HB ILE 57 - HB3 LEU 14 far 0 100 0 - 9.0-9.7 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 2.5-2.6 3.0=100 HG3 LYS 16 - HB3 LEU 14 far 0 65 0 - 6.1-6.7 HB3 LEU 114 - HB3 LEU 14 far 0 61 0 - 8.7-9.3 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 3.2-3.2 3.1=100 QG2 THR 9 + HB3 LEU 14 OK 89 99 100 90 2.5-3.0 10756/3.0=45, 9125/71=44...(6) QG2 ILE 57 - HB3 LEU 14 far 0 61 0 - 5.6-6.2 QG2 ILE 15 - HB3 LEU 14 far 0 87 0 - 5.7-5.9 QG2 VAL 107 - HB3 LEU 14 far 0 94 0 - 6.8-7.2 QG2 VAL 117 - HB3 LEU 14 far 0 98 0 - 7.0-7.6 HG13 ILE 57 - HB3 LEU 14 far 0 100 0 - 7.7-8.8 QG2 VAL 22 - HB3 LEU 14 far 0 99 0 - 9.1-10.1 QG2 ILE 5 - HB3 LEU 14 far 0 65 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (0.76, 1.50, 40.10 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.1-2.3 3.1=100 QD1 ILE 15 - HB3 LEU 14 far 10 100 10 - 3.1-5.1 QG2 ILE 7 - HB3 LEU 14 far 0 61 0 - 5.1-5.5 QG1 VAL 107 - HB3 LEU 14 far 0 100 0 - 6.1-6.8 QD1 ILE 7 - HB3 LEU 14 far 0 99 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (7.58, 1.38, 27.05 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HG LEU 14 OK 100 100 100 100 4.1-4.2 5.3=100 H LYS 17 - HG LEU 14 far 0 98 0 - 7.1-7.4 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 3.6-3.7 3.7=100 HA GLU 111 - HG LEU 14 far 0 100 0 - 6.8-7.6 HA GLU 112 - HG LEU 14 far 0 87 0 - 8.3-8.8 HA LYS 17 - HG LEU 14 far 0 97 0 - 8.7-9.2 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 2 assignments used, quality = 1.00: * HB2 LEU 14 + HG LEU 14 OK 100 100 100 100 2.3-2.4 3.0=100 HB ILE 18 - HG LEU 14 far 0 100 0 - 6.4-6.7 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 2.5-2.6 3.0=100 HD3 LYS 17 - HG LEU 14 far 0 61 0 - 6.9-7.2 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): 1 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 far 0 99 0 - 3.5-4.1 QG2 VAL 107 - HG LEU 14 far 0 94 0 - 4.7-5.1 QG2 VAL 117 - HG LEU 14 far 0 98 0 - 6.1-6.7 QG2 ILE 57 - HG LEU 14 far 0 61 0 - 6.9-7.5 QG2 ILE 15 - HG LEU 14 far 0 87 0 - 7.4-7.6 HG13 ILE 57 - HG LEU 14 far 0 100 0 - 8.7-9.8 QG2 ILE 5 - HG LEU 14 far 0 65 0 - 9.4-9.8 QG2 VAL 22 - HG LEU 14 far 0 99 0 - 9.4-10.6 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 6 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 0 100 0 - 4.2-5.0 QG2 ILE 7 - HG LEU 14 far 0 61 0 - 4.8-5.1 QD1 ILE 15 - HG LEU 14 far 0 100 0 - 4.8-7.1 QD1 ILE 7 - HG LEU 14 far 0 99 0 - 6.9-7.2 QD1 LEU 80 - HG LEU 14 far 0 87 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (7.58, 0.86, 22.48 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + QD1 LEU 14 OK 100 100 100 100 3.6-3.8 1093=100, 1094/2.1=80...(12) H LYS 17 - QD1 LEU 14 far 0 98 0 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 2665 from cnoeabs.peaks (3.98, 0.86, 22.48 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 14 + QD1 LEU 14 OK 100 100 100 100 1.9-2.0 2641=99, 3.0/1093=39...(14) HA GLU 111 - QD1 LEU 14 far 0 100 0 - 4.0-4.6 HA LYS 17 - QD1 LEU 14 far 0 97 0 - 5.5-6.0 HA GLU 112 - QD1 LEU 14 far 0 87 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (1.82, 0.86, 22.48 ppm; 3.30 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.4-2.5 3.1=100 HB ILE 18 - QD1 LEU 14 far 0 100 0 - 4.3-4.7 HB3 LYS 19 - QD1 LEU 14 far 0 90 0 - 7.6-7.8 QE MET 121 - QD1 LEU 14 far 0 97 0 - 7.9-9.3 HG2 ARG 105 - QD1 LEU 14 far 0 65 0 - 9.1-11.4 HB ILE 57 - QD1 LEU 14 far 0 100 0 - 9.2-9.8 HB3 ARG 105 - QD1 LEU 14 far 0 97 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (1.50, 0.86, 22.48 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 100 100 3.2-3.2 3.1=100 HD3 LYS 17 - QD1 LEU 14 far 0 61 0 - 4.0-4.5 HG2 LYS 20 - QD1 LEU 14 far 0 96 0 - 7.6-8.0 HG3 ARG 118 - QD1 LEU 14 far 0 77 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 2668 from cnoeabs.peaks (1.38, 0.86, 22.48 ppm; 3.00 A): 1 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 far 0 61 0 - 4.5-5.2 HG3 LYS 16 - QD1 LEU 14 far 0 65 0 - 5.8-6.8 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 7 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 0 100 0 - 4.1-5.0 QG2 ILE 7 - QD1 LEU 14 far 0 61 0 - 4.4-4.8 QD1 ILE 15 - QD1 LEU 14 far 0 100 0 - 4.6-6.6 QD1 ILE 7 - QD1 LEU 14 far 0 99 0 - 5.5-5.9 QD1 LEU 80 - QD1 LEU 14 far 0 87 0 - 9.1-9.6 QD1 LEU 82 - QD1 LEU 14 far 0 77 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (7.58, 0.76, 24.53 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + QD2 LEU 14 OK 100 100 100 100 1.9-2.4 4.3=100 H LYS 17 - QD2 LEU 14 far 0 98 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. Peak 2672 from cnoeabs.peaks (3.98, 0.76, 24.53 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.7-2.9 4.0=100 HA GLU 111 - QD2 LEU 14 far 0 100 0 - 5.2-6.1 HA LYS 17 - QD2 LEU 14 far 0 97 0 - 6.7-7.2 HA GLU 112 - QD2 LEU 14 far 0 87 0 - 7.5-8.1 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 4 assignments used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 100 100 100 100 3.1-3.2 3.1=100 HB ILE 18 - QD2 LEU 14 far 0 100 0 - 6.3-6.7 HB3 LYS 19 - QD2 LEU 14 far 0 90 0 - 8.8-9.1 HB ILE 57 - QD2 LEU 14 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (1.50, 0.76, 24.53 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-2.3 3.1=100 HD3 LYS 17 - QD2 LEU 14 far 0 61 0 - 4.2-4.6 HG2 LYS 20 - QD2 LEU 14 far 0 96 0 - 9.0-9.6 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 HG3 LYS 16 - QD2 LEU 14 far 0 65 0 - 5.6-6.4 HB3 LEU 114 - QD2 LEU 14 far 0 61 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (0.86, 0.76, 24.53 ppm; 2.61 A): 1 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 far 0 99 0 - 4.0-4.4 QG2 VAL 107 - QD2 LEU 14 far 0 94 0 - 4.8-5.1 QG2 VAL 117 - QD2 LEU 14 far 0 98 0 - 6.5-7.1 QG2 ILE 15 - QD2 LEU 14 far 0 87 0 - 6.5-6.7 QG2 ILE 57 - QD2 LEU 14 far 0 61 0 - 6.6-7.1 HG13 ILE 57 - QD2 LEU 14 far 0 100 0 - 8.6-9.5 QG2 VAL 22 - QD2 LEU 14 far 0 99 0 - 8.8-9.6 QG2 ILE 5 - QD2 LEU 14 far 0 65 0 - 9.4-9.7 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 2.8-2.9 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): 1 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 far 0 97 0 - 5.2-5.6 HB2 LEU 81 - HA ILE 15 far 0 99 0 - 9.3-10.2 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 2.2-2.4 3.2=100 QG2 ILE 57 + HA ILE 15 OK 73 97 100 75 2.8-3.5 4515/10773=45, 11687=15...(11) QG2 THR 9 + HA ILE 15 OK 34 73 75 62 3.1-3.6 9116/3.9=23, 9125/2.9=22...(6) HG13 ILE 57 - HA ILE 15 far 0 87 0 - 4.2-5.1 QD1 LEU 14 - HA ILE 15 far 0 87 0 - 5.1-5.5 QG2 VAL 22 - HA ILE 15 far 0 97 0 - 6.1-6.8 QG2 VAL 117 - HA ILE 15 far 0 65 0 - 6.4-7.1 QG2 ILE 5 - HA ILE 15 far 0 98 0 - 8.3-8.8 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 1 assignment used, quality = 1.00: * HG12 ILE 15 + HA ILE 15 OK 100 100 100 100 3.0-3.4 3.9=100 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 2 assignments used, quality = 0.90: * HG13 ILE 15 + HA ILE 15 OK 90 100 90 100 2.6-3.8 3.9=77, 2.1/2684=57...(17) QG1 VAL 22 - HA ILE 15 far 0 100 0 - 6.4-7.0 Violated in 2 structures by 0.02 A. Peak 2684 from cnoeabs.peaks (0.76, 3.22, 66.59 ppm; 4.03 A increased from 3.58 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 15 + HA ILE 15 OK 100 100 100 100 2.2-3.9 2714=93, 2.1/2683=81...(15) QD1 ILE 7 - HA ILE 15 far 0 100 0 - 5.7-6.3 QD2 LEU 14 - HA ILE 15 far 0 100 0 - 5.9-6.1 QG1 VAL 107 - HA ILE 15 far 0 100 0 - 8.6-9.2 QG2 VAL 32 - HA ILE 15 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 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 2.6-2.8 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): 1 out of 7 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 far 0 97 0 - 4.0-4.6 QG2 THR 9 - HB ILE 15 far 0 73 0 - 4.4-5.1 HG13 ILE 57 - HB ILE 15 far 0 87 0 - 6.6-7.4 QD1 LEU 14 - HB ILE 15 far 0 87 0 - 6.6-6.8 QG2 VAL 22 - HB ILE 15 far 0 97 0 - 8.0-8.6 QG2 VAL 117 - HB ILE 15 far 0 65 0 - 9.0-9.6 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 1 assignment used, quality = 1.00: * HG12 ILE 15 + HB ILE 15 OK 100 100 100 100 2.4-2.5 2.9=100 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 2.5-3.0 2.9=100 QG1 VAL 22 - HB ILE 15 far 0 100 0 - 8.7-9.2 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 3 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 - 6.3-6.8 QD1 ILE 7 - HB ILE 15 far 0 100 0 - 8.2-8.8 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 1 assignment used, quality = 1.00: * H ILE 15 + QG2 ILE 15 OK 100 100 100 100 3.7-3.8 4.1=100 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 2.2-2.4 3.2=100 HB2 PHE 120 + QG2 ILE 5 OK 71 95 75 100 3.3-3.9 2.4/4707=70...(16) HA ILE 15 - QG2 ILE 5 far 0 95 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 2694 from cnoeabs.peaks (1.92, 0.85, 17.08 ppm; 3.26 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 81 - QG2 ILE 5 far 0 93 0 - 3.9-4.3 HG2 MET 121 - QG2 ILE 5 far 0 95 0 - 4.4-6.5 HB3 LYS 17 - QG2 ILE 15 far 0 97 0 - 6.2-6.6 HB3 LYS 123 - QG2 ILE 5 far 0 95 0 - 7.5-9.2 HB2 LYS 123 - QG2 ILE 5 far 0 54 0 - 7.7-9.2 HB2 LEU 81 - QG2 ILE 15 far 0 99 0 - 9.3-10.2 HB ILE 71 - QG2 ILE 5 far 0 54 0 - 9.4-9.8 HB2 LYS 115 - QG2 ILE 5 far 0 75 0 - 9.6-10.6 HB3 LYS 115 - QG2 ILE 5 far 0 54 0 - 9.7-10.5 HB2 LEU 127 - QG2 ILE 5 far 0 58 0 - 9.8-11.0 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 5 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 - 7.6-8.5 HB2 LEU 114 - QG2 ILE 5 far 0 86 0 - 9.4-10.0 HB3 LEU 82 - QG2 ILE 5 far 0 84 0 - 9.7-10.0 HG12 ILE 15 - QG2 ILE 5 far 0 95 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (0.64, 0.85, 17.08 ppm; 2.89 A): 2 out of 8 assignments used, quality = 0.99: * HG13 ILE 15 + QG2 ILE 15 OK 97 100 100 97 2.2-2.4 3.2=74, 2.1/2716=54...(10) QD1 ILE 5 + QG2 ILE 5 OK 77 78 100 99 1.9-2.1 3.0=93, 4709/4707=25...(16) QG1 VAL 22 - QG2 ILE 5 far 0 95 0 - 3.7-4.2 QD1 ILE 71 - QG2 ILE 5 far 0 58 0 - 6.2-6.7 QG1 VAL 22 - QG2 ILE 15 far 0 100 0 - 6.3-6.9 QD1 LEU 4 - QG2 ILE 5 far 0 91 0 - 6.8-7.0 QD1 ILE 54 - QG2 ILE 5 far 0 95 0 - 8.4-8.7 HG13 ILE 15 - QG2 ILE 5 far 0 95 0 - 8.9-11.1 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 18 assignments used, quality = 0.99: * QD1 ILE 15 + QG2 ILE 15 OK 96 100 100 96 2.0-2.2 2716=80, 2.1/2697=29...(10) QD1 ILE 7 + QG2 ILE 5 OK 73 94 100 77 1.8-2.0 2.1/10942=31...(8) QD1 LEU 80 - QG2 ILE 5 far 0 81 0 - 5.1-5.4 QD1 ILE 7 - QG2 ILE 15 far 0 100 0 - 5.9-6.6 QD2 LEU 14 - QG2 ILE 15 far 0 100 0 - 6.5-6.7 QG2 VAL 32 - QG2 ILE 15 far 0 100 0 - 6.8-7.5 QD2 LEU 80 - QG2 ILE 5 far 0 78 0 - 6.9-7.2 QG2 ILE 54 - QG2 ILE 5 far 0 58 0 - 7.1-7.5 QG1 VAL 107 - QG2 ILE 5 far 0 95 0 - 7.1-7.5 QD1 ILE 15 - QG2 ILE 5 far 0 95 0 - 7.6-9.5 QD1 LEU 82 - QG2 ILE 5 far 0 72 0 - 8.2-8.7 QD2 LEU 64 - QG2 ILE 5 far 0 54 0 - 8.4-8.7 QD1 LEU 45 - QG2 ILE 5 far 0 84 0 - 8.5-9.0 QG2 ILE 54 - QG2 ILE 15 far 0 65 0 - 8.5-9.2 QG2 VAL 32 - QG2 ILE 5 far 0 95 0 - 8.7-9.4 QG1 VAL 107 - QG2 ILE 15 far 0 100 0 - 8.9-9.4 QD1 LEU 80 - QG2 ILE 15 far 0 90 0 - 9.1-9.9 QD2 LEU 14 - QG2 ILE 5 far 0 95 0 - 9.4-9.7 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 1.9-2.1 1099=100, 1100/1.8=88...(12) 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 3.0-3.4 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 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 2702 from cnoeabs.peaks (0.85, 1.73, 30.33 ppm; 3.79 A): 2 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 62 73 100 84 2.5-3.8 9116=60, 9118/1.8=32...(4) QG2 ILE 57 - HG12 ILE 15 poor 17 97 25 70 3.7-4.6 2709/1.8=22...(9) QD1 LEU 14 - HG12 ILE 15 far 0 87 0 - 5.7-6.0 HG13 ILE 57 - HG12 ILE 15 far 0 87 0 - 6.3-7.8 QG2 VAL 117 - HG12 ILE 15 far 0 65 0 - 8.2-9.4 QG2 VAL 22 - HG12 ILE 15 far 0 97 0 - 8.6-9.5 QG2 ILE 5 - HG12 ILE 15 far 0 98 0 - 10.0-11.1 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 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 2705 from cnoeabs.peaks (0.76, 1.73, 30.33 ppm; 3.63 A): 1 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 far 0 100 0 - 4.9-5.4 QD1 ILE 7 - HG12 ILE 15 far 0 100 0 - 7.5-8.6 QG1 VAL 107 - HG12 ILE 15 far 0 100 0 - 8.6-9.7 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 3.2-3.5 1100=100, 1099/1.8=99...(13) 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 2.6-3.8 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 2.5-3.0 2.9=100 HB3 LYS 17 - HG13 ILE 15 far 0 97 0 - 7.3-8.0 HB2 LEU 81 - HG13 ILE 15 far 0 99 0 - 9.4-12.3 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 2.2-2.4 3.2=100 QG2 ILE 57 + HG13 ILE 15 OK 62 97 100 64 2.2-3.8 11687/2683=20, ~9556=20...(9) QG2 THR 9 + HG13 ILE 15 OK 54 73 90 82 2.3-4.1 9116/1.8=47, 9118=39...(5) HG13 ILE 57 - HG13 ILE 15 far 0 87 0 - 4.7-7.2 QD1 LEU 14 - HG13 ILE 15 far 0 87 0 - 6.2-7.2 QG2 VAL 117 - HG13 ILE 15 far 0 65 0 - 7.7-9.9 QG2 VAL 22 - HG13 ILE 15 far 0 97 0 - 7.9-9.1 QG2 ILE 5 - HG13 ILE 15 far 0 98 0 - 8.9-11.1 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 1 assignment used, quality = 1.00: * HG12 ILE 15 + HG13 ILE 15 OK 100 100 100 100 1.8-1.8 1.8=100 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 6 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 - 6.0-6.8 QD1 ILE 7 - HG13 ILE 15 far 0 100 0 - 6.6-8.7 QG1 VAL 107 - HG13 ILE 15 far 0 100 0 - 8.7-10.5 QG2 VAL 32 - HG13 ILE 15 far 0 100 0 - 9.0-10.1 QD1 LEU 80 - HG13 ILE 15 far 0 90 0 - 9.6-11.7 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 2.4-3.6 1101=100, 1099/2.1=79...(9) 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...(15) 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 - 5.7-7.5 HB2 LEU 81 - QD1 ILE 15 far 0 99 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (0.85, 0.76, 13.07 ppm; 2.74 A): 1 out of 8 assignments used, quality = 0.96: * QG2 ILE 15 + QD1 ILE 15 OK 96 100 100 96 2.0-2.2 3.0=79, 2697/2.1=30...(10) QG2 ILE 57 - QD1 ILE 15 poor 18 97 50 37 2.0-3.1 2709/2.1=10, 2681/2684=8...(9) QG2 THR 9 - QD1 ILE 15 far 7 73 10 - 1.7-3.6 HG13 ILE 57 - QD1 ILE 15 far 0 87 0 - 4.1-6.1 QD1 LEU 14 - QD1 ILE 15 far 0 87 0 - 4.6-6.6 QG2 VAL 117 - QD1 ILE 15 far 0 65 0 - 6.6-8.6 QG2 VAL 22 - QD1 ILE 15 far 0 97 0 - 6.7-8.5 QG2 ILE 5 - QD1 ILE 15 far 0 98 0 - 7.6-9.5 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 HB3 LEU 82 - QD1 ILE 15 far 0 92 0 - 9.5-11.3 HB2 LEU 114 - QD1 ILE 15 far 0 94 0 - 9.8-12.3 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 - 7.0-8.8 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 2.8-2.9 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 4 assignments used, quality = 1.00: * HB2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.5-2.7 3.0=100 HB3 LYS 16 + HA LYS 16 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LYS 20 - HA LYS 16 far 0 92 0 - 5.5-7.1 HB3 LYS 20 - HA LYS 16 far 0 92 0 - 7.2-7.6 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 4 assignments used, quality = 1.00: * HB3 LYS 16 + HA LYS 16 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 LYS 16 + HA LYS 16 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 LYS 20 - HA LYS 16 far 0 94 0 - 5.5-7.1 HB3 LYS 20 - HA LYS 16 far 0 94 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.63, 3.84, 60.17 ppm; 3.99 A increased from 3.55 A): 1 out of 1 assignment used, quality = 0.90: * HG2 LYS 16 + HA LYS 16 OK 90 100 90 100 3.6-4.2 3.8=100 Violated in 2 structures by 0.02 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 3.6-3.8 2761=100, 1107/3.0=57...(33) QB ALA 113 - HA LYS 16 far 0 81 0 - 8.9-9.7 HG LEU 14 - HA LYS 16 far 0 65 0 - 9.8-10.1 HB3 LEU 114 - HA LYS 16 far 0 100 0 - 9.9-10.5 Violated in 4 structures by 0.00 A. Peak 2726 from cnoeabs.peaks (1.69, 3.84, 60.17 ppm; 3.49 A): 0 out of 5 assignments used, quality = 0.00: ! HD2 LYS 16 - HA LYS 16 far 0 100 0 - 3.7-4.7 HD3 LYS 20 - HA LYS 16 far 0 100 0 - 4.3-8.9 HD3 LYS 16 - HA LYS 16 far 0 100 0 - 4.9-5.5 HD2 LYS 20 - HA LYS 16 far 0 100 0 - 4.9-9.2 HD2 LYS 17 - HA LYS 16 far 0 99 0 - 7.1-7.7 Violated in 18 structures by 0.32 A. Peak 2727 from cnoeabs.peaks (1.69, 3.84, 60.17 ppm; 3.49 A): 0 out of 5 assignments used, quality = 0.00: HD2 LYS 16 - HA LYS 16 far 0 100 0 - 3.7-4.7 HD3 LYS 20 - HA LYS 16 far 0 100 0 - 4.3-8.9 ! HD3 LYS 16 - HA LYS 16 far 0 100 0 - 4.9-5.5 HD2 LYS 20 - HA LYS 16 far 0 100 0 - 4.9-9.2 HD2 LYS 17 - HA LYS 16 far 0 96 0 - 7.1-7.7 Violated in 18 structures by 0.32 A. Peak 2730 from cnoeabs.peaks (7.60, 1.88, 32.16 ppm; 3.12 A): 1 out of 5 assignments used, quality = 0.92: H LYS 16 + HB3 LYS 16 OK 92 100 95 97 2.7-3.6 1104=70, 1106/3.0=51...(10) ! H LYS 16 - HB2 LYS 16 far 5 100 5 - 2.6-3.6 H LEU 74 - HB3 LYS 73 far 0 60 0 - 3.6-4.3 H LYS 16 - HB2 LYS 20 far 0 65 0 - 7.6-8.8 H LYS 16 - HB3 LYS 20 far 0 65 0 - 9.3-9.6 Violated in 1 structures by 0.03 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 2.5-2.7 3.0=100 HA LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.3-2.4 3.0=100 HA LYS 16 - HB2 LYS 20 far 0 65 0 - 5.5-7.1 HA2 GLY 75 - HB3 LYS 73 far 0 57 0 - 7.1-7.7 HA LYS 16 - HB3 LYS 20 far 0 65 0 - 7.2-7.6 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; 3.00 A increased from 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 16 - HB2 LYS 20 far 0 65 0 - 7.3-9.6 HG2 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.1-10.3 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 9 assignments used, quality = 1.00: * HG3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 114 - HB2 LYS 20 far 0 65 0 - 6.7-8.5 HG3 LYS 16 - HB2 LYS 20 far 0 65 0 - 7.3-9.1 HG3 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.3-10.0 HB3 LEU 114 - HB3 LYS 20 far 0 65 0 - 8.4-9.1 QB ALA 113 - HB2 LYS 20 far 0 46 0 - 9.3-10.6 QB ALA 113 - HB2 LYS 16 far 0 81 0 - 9.5-10.4 QB ALA 113 - HB3 LYS 16 far 0 80 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2736 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 3 out of 24 assignments used, quality = 0.92: * HD2 LYS 16 + HB2 LYS 16 OK 82 100 85 97 2.1-3.7 2782=43, 2782/1.8=24...(39) HD2 LYS 73 + HB3 LYS 73 OK 41 62 70 93 2.1-3.1 3.8=33, 5174/3.0=27...(34) HD2 LYS 20 + HB3 LYS 20 OK 25 65 40 96 2.4-3.6 3.4=46, 3039/3.0=22...(48) HD2 LYS 16 - HB3 LYS 16 far 15 100 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 9 62 15 - 2.6-3.8 HD3 LYS 16 - HB3 LYS 16 far 5 100 5 - 2.7-3.9 HD3 LYS 20 - HB3 LYS 20 far 3 65 5 - 2.4-3.8 HD3 LYS 16 - HB2 LYS 16 far 0 100 0 - 2.8-4.2 HD3 LYS 20 - HB2 LYS 20 far 0 65 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 65 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 100 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 100 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 34 0 - 4.3-5.6 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 65 0 - 5.8-10.0 HD2 LYS 17 - HB2 LYS 16 far 0 99 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 65 0 - 6.5-10.7 HD3 LYS 16 - HB2 LYS 20 far 0 64 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 99 0 - 7.1-8.0 HD3 LYS 16 - HB3 LYS 20 far 0 64 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 62 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 56 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 62 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 2737 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 3 out of 24 assignments used, quality = 0.92: HD2 LYS 16 + HB2 LYS 16 OK 82 100 85 97 2.1-3.7 2782=43, 2782/1.8=24...(39) HD2 LYS 73 + HB3 LYS 73 OK 40 61 70 93 2.1-3.1 3.8=33, 5174/3.0=26...(34) HD2 LYS 20 + HB3 LYS 20 OK 25 65 40 96 2.4-3.6 3.4=46, 3038/3.0=22...(48) HD2 LYS 16 - HB3 LYS 16 far 15 100 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 9 60 15 - 2.6-3.8 HD3 LYS 16 - HB3 LYS 16 far 5 100 5 - 2.7-3.9 HD3 LYS 20 - HB3 LYS 20 far 3 65 5 - 2.4-3.8 ! HD3 LYS 16 - HB2 LYS 16 far 0 100 0 - 2.8-4.2 HD3 LYS 20 - HB2 LYS 20 far 0 65 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 65 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 100 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 100 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 41 0 - 4.3-5.6 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 64 0 - 5.8-10.0 HD2 LYS 17 - HB2 LYS 16 far 0 96 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 64 0 - 6.5-10.7 HD3 LYS 16 - HB2 LYS 20 far 0 65 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 95 0 - 7.1-8.0 HD3 LYS 16 - HB3 LYS 20 far 0 65 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 58 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 60 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 58 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 4.48 A increased from 3.77 A): 4 out of 12 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=69, 2795/3.0=57...(34) HE3 LYS 16 + HB3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=69, 2805/3.0=57...(45) * HE2 LYS 16 + HB2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=69, 3.0/2737=52...(34) HE2 LYS 16 + HB3 LYS 16 OK 70 100 70 100 3.1-5.0 5.1=69, 2804/3.0=39...(45) HE3 LYS 17 - HB2 LYS 20 far 0 55 0 - 6.6-7.6 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 7.3-8.9 HE2 LYS 16 - HB2 LYS 20 far 0 65 0 - 7.4-11.1 HE2 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.0-11.6 HE3 LYS 17 - HB3 LYS 20 far 0 55 0 - 8.1-9.1 HE3 LYS 17 - HB3 LYS 16 far 0 92 0 - 8.3-9.0 HE3 LYS 16 - HB2 LYS 20 far 0 65 0 - 8.4-11.0 HE3 LYS 16 - HB3 LYS 20 far 0 65 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 2739 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 4.48 A increased from 3.77 A): 4 out of 12 assignments used, quality = 1.00: * HE3 LYS 16 + HB2 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=69, 2795/3.0=57...(34) HE3 LYS 16 + HB3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=69, 2805/3.0=57...(45) HE2 LYS 16 + HB2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=69, 3.0/2737=52...(34) HE2 LYS 16 + HB3 LYS 16 OK 70 100 70 100 3.1-5.0 5.1=69, 2804/3.0=39...(45) HE3 LYS 17 - HB2 LYS 20 far 0 55 0 - 6.6-7.6 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 7.3-8.9 HE2 LYS 16 - HB2 LYS 20 far 0 65 0 - 7.4-11.1 HE2 LYS 16 - HB3 LYS 20 far 0 65 0 - 8.0-11.6 HE3 LYS 17 - HB3 LYS 20 far 0 55 0 - 8.1-9.1 HE3 LYS 17 - HB3 LYS 16 far 0 92 0 - 8.3-9.0 HE3 LYS 16 - HB2 LYS 20 far 0 65 0 - 8.4-11.0 HE3 LYS 16 - HB3 LYS 20 far 0 65 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (7.60, 1.88, 32.16 ppm; 3.12 A): 2 out of 6 assignments used, quality = 0.95: * H LYS 16 + HB3 LYS 16 OK 92 100 95 97 2.7-3.6 1104=70, 1106/3.0=51...(10) H LEU 74 + HB2 LYS 73 OK 35 60 75 77 2.4-4.2 4.3=37, 452/4.0=32...(6) H LYS 16 - HB2 LYS 16 far 5 100 5 - 2.6-3.6 H LEU 74 - HB3 LYS 73 far 0 65 0 - 3.6-4.3 H LYS 16 - HB2 LYS 20 far 0 69 0 - 7.6-8.8 H LYS 16 - HB3 LYS 20 far 0 69 0 - 9.3-9.6 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 7 assignments used, quality = 1.00: * HA LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.3-2.4 3.0=100 HA LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-2.7 3.0=100 HA LYS 16 - HB2 LYS 20 far 0 69 0 - 5.5-7.1 HA2 GLY 75 - HB2 LYS 73 far 0 57 0 - 6.8-7.9 HA2 GLY 75 - HB3 LYS 73 far 0 62 0 - 7.1-7.7 HA LYS 16 - HB3 LYS 20 far 0 69 0 - 7.2-7.6 HA LYS 39 - HB2 LYS 73 far 0 62 0 - 9.8-12.0 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; 3.00 A increased from 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 16 - HB2 LYS 20 far 0 69 0 - 7.3-9.6 HG2 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.1-10.3 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 10 assignments used, quality = 1.00: * HG3 LYS 16 + HB3 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 16 + HB2 LYS 16 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 114 - HB2 LYS 20 far 0 69 0 - 6.7-8.5 HG3 LYS 16 - HB2 LYS 20 far 0 69 0 - 7.3-9.1 HG3 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.3-10.0 HB3 LEU 114 - HB3 LYS 20 far 0 69 0 - 8.4-9.1 QB ALA 113 - HB2 LYS 20 far 0 49 0 - 9.3-10.6 HB3 LEU 68 - HB2 LYS 73 far 0 41 0 - 9.4-10.5 QB ALA 113 - HB2 LYS 16 far 0 80 0 - 9.5-10.4 QB ALA 113 - HB3 LYS 16 far 0 81 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 3 out of 30 assignments used, quality = 0.93: HD2 LYS 16 + HB2 LYS 16 OK 82 100 85 97 2.1-3.7 2782=43, 2782/1.8=24...(39) HD2 LYS 73 + HB3 LYS 73 OK 44 68 70 93 2.1-3.1 3.8=33, 5174/3.0=27...(34) HD2 LYS 20 + HB3 LYS 20 OK 26 69 40 96 2.4-3.6 3.4=46, 3039/3.0=22...(48) ! HD2 LYS 16 - HB3 LYS 16 far 15 100 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 10 68 15 - 2.6-3.8 HD3 LYS 16 - HB3 LYS 16 far 5 100 5 - 2.7-3.9 HD3 LYS 20 - HB3 LYS 20 far 3 69 5 - 2.4-3.8 HD3 LYS 16 - HB2 LYS 16 far 0 100 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 34 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 62 0 - 3.0-4.2 HD2 LYS 73 - HB2 LYS 73 far 0 62 0 - 3.3-3.7 HD3 LYS 20 - HB2 LYS 20 far 0 69 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 69 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 100 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 100 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 37 0 - 4.3-5.6 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 69 0 - 5.8-10.0 HD2 LYS 17 - HB2 LYS 16 far 0 99 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 69 0 - 6.5-10.7 HG12 ILE 71 - HB2 LYS 73 far 0 56 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 68 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 99 0 - 7.1-8.0 HD3 LYS 16 - HB3 LYS 20 far 0 68 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 66 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 61 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 66 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 62 0 - 9.4-12.7 HD2 LYS 43 - HB2 LYS 73 far 0 57 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 3 out of 30 assignments used, quality = 0.92: HD2 LYS 16 + HB2 LYS 16 OK 82 100 85 97 2.1-3.7 2782=43, 2782/1.8=24...(39) HD2 LYS 73 + HB3 LYS 73 OK 43 66 70 93 2.1-3.1 3.8=33, 5174/3.0=26...(34) HD2 LYS 20 + HB3 LYS 20 OK 27 69 40 96 2.4-3.6 3.4=46, 3038/3.0=22...(48) HD2 LYS 16 - HB3 LYS 16 far 15 100 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 10 65 15 - 2.6-3.8 ! HD3 LYS 16 - HB3 LYS 16 far 5 100 5 - 2.7-3.9 HD3 LYS 20 - HB3 LYS 20 far 3 69 5 - 2.4-3.8 HD3 LYS 16 - HB2 LYS 16 far 0 100 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 41 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 60 0 - 3.0-4.2 HD2 LYS 73 - HB2 LYS 73 far 0 61 0 - 3.3-3.7 HD3 LYS 20 - HB2 LYS 20 far 0 69 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 69 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 100 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 100 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 45 0 - 4.3-5.6 HD2 LYS 20 - HB3 LYS 16 far 0 100 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 100 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 68 0 - 5.8-10.0 HD2 LYS 17 - HB2 LYS 16 far 0 95 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 68 0 - 6.5-10.7 HG12 ILE 71 - HB2 LYS 73 far 0 60 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 69 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 96 0 - 7.1-8.0 HD3 LYS 16 - HB3 LYS 20 far 0 69 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 62 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 65 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 62 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 60 0 - 9.4-12.7 HD2 LYS 43 - HB2 LYS 73 far 0 52 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 4.48 A increased from 3.77 A): 4 out of 12 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=69, 2795/3.0=57...(34) HE3 LYS 16 + HB3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=69, 2805/3.0=57...(45) * HE2 LYS 16 + HB3 LYS 16 OK 70 100 70 100 3.1-5.0 5.1=69, 2804/3.0=39...(45) HE2 LYS 16 + HB2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=69, 3.0/2737=52...(34) HE3 LYS 17 - HB2 LYS 20 far 0 58 0 - 6.6-7.6 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 7.3-8.9 HE2 LYS 16 - HB2 LYS 20 far 0 69 0 - 7.4-11.1 HE2 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.0-11.6 HE3 LYS 17 - HB3 LYS 20 far 0 58 0 - 8.1-9.1 HE3 LYS 17 - HB3 LYS 16 far 0 92 0 - 8.3-9.0 HE3 LYS 16 - HB2 LYS 20 far 0 69 0 - 8.4-11.0 HE3 LYS 16 - HB3 LYS 20 far 0 69 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 4.48 A increased from 3.77 A): 4 out of 12 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=69, 2795/3.0=57...(34) * HE3 LYS 16 + HB3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=69, 2805/3.0=57...(45) HE2 LYS 16 + HB3 LYS 16 OK 70 100 70 100 3.1-5.0 5.1=69, 2804/3.0=39...(45) HE2 LYS 16 + HB2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=69, 3.0/2737=52...(34) HE3 LYS 17 - HB2 LYS 20 far 0 58 0 - 6.6-7.6 HE3 LYS 17 - HB2 LYS 16 far 0 92 0 - 7.3-8.9 HE2 LYS 16 - HB2 LYS 20 far 0 69 0 - 7.4-11.1 HE2 LYS 16 - HB3 LYS 20 far 0 69 0 - 8.0-11.6 HE3 LYS 17 - HB3 LYS 20 far 0 58 0 - 8.1-9.1 HE3 LYS 17 - HB3 LYS 16 far 0 92 0 - 8.3-9.0 HE3 LYS 16 - HB2 LYS 20 far 0 69 0 - 8.4-11.0 HE3 LYS 16 - HB3 LYS 20 far 0 69 0 - 9.0-11.5 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 1.9-3.5 1106=100, 1107/1.8=77...(13) 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 3.6-4.2 3.8=100 Violated in 2 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 2.2-3.0 3.0=100 HB2 LYS 20 - HG2 LYS 16 far 0 92 0 - 7.3-9.6 HB3 LYS 20 - HG2 LYS 16 far 0 92 0 - 8.1-10.3 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 2.2-3.0 3.0=100 HB2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 20 - HG2 LYS 16 far 0 94 0 - 7.3-9.6 HB3 LYS 20 - HG2 LYS 16 far 0 94 0 - 8.1-10.3 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 QB ALA 113 - HG2 LYS 16 far 0 81 0 - 8.1-10.1 HG LEU 14 - HG2 LYS 16 far 0 65 0 - 8.2-9.9 HB3 LEU 114 - HG2 LYS 16 far 0 100 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (1.69, 1.63, 25.30 ppm; 3.11 A increased from 2.62 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.6-3.0 2.9=100 HD3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 17 - HG2 LYS 16 far 0 99 0 - 4.4-6.9 HD3 LYS 20 - HG2 LYS 16 far 0 100 0 - 5.8-11.6 HD2 LYS 20 - HG2 LYS 16 far 0 100 0 - 6.9-11.4 Violated in 0 structures by 0.00 A. Peak 2757 from cnoeabs.peaks (1.69, 1.63, 25.30 ppm; 3.11 A increased from 2.62 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.6-3.0 2.9=100 HD2 LYS 17 - HG2 LYS 16 far 0 96 0 - 4.4-6.9 HD3 LYS 20 - HG2 LYS 16 far 0 100 0 - 5.8-11.6 HD2 LYS 20 - HG2 LYS 16 far 0 100 0 - 6.9-11.4 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: * HE2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.0-3.6 3.7=100 HE3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.1-3.7 3.7=100 HE3 LYS 17 - HG2 LYS 16 far 0 92 0 - 5.8-8.5 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: HE2 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.0-3.6 3.7=100 * HE3 LYS 16 + HG2 LYS 16 OK 100 100 100 100 2.1-3.7 3.7=100 HE3 LYS 17 - HG2 LYS 16 far 0 92 0 - 5.8-8.5 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 1.9-2.9 1107=100, 1106/1.8=97...(15) 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 3.6-3.8 2725=100, 3.0/1107=57...(33) Violated in 4 structures by 0.00 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 2.5-3.0 3.0=100 HB3 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 20 - HG3 LYS 16 far 0 92 0 - 7.3-9.1 HB3 LYS 20 - HG3 LYS 16 far 0 92 0 - 8.3-10.0 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 2.4-3.0 3.0=100 HB2 LYS 16 + HG3 LYS 16 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 20 - HG3 LYS 16 far 0 94 0 - 7.3-9.1 HB3 LYS 20 - HG3 LYS 16 far 0 94 0 - 8.3-10.0 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 = 0.95: HD3 LYS 16 + HG3 LYS 16 OK 90 100 90 100 2.3-3.0 2.9=90, 3.0/2795=25...(48) * HD2 LYS 16 + HG3 LYS 16 OK 50 100 50 100 2.4-3.0 2.9=90, 1.8/2785=58...(35) HD2 LYS 17 - HG3 LYS 16 far 0 99 0 - 4.4-5.8 HD3 LYS 20 - HG3 LYS 16 far 0 100 0 - 6.4-10.4 HD2 LYS 20 - HG3 LYS 16 far 0 100 0 - 7.4-10.1 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 = 0.95: * HD3 LYS 16 + HG3 LYS 16 OK 90 100 90 100 2.3-3.0 2.9=90, 3.0/2795=25...(48) HD2 LYS 16 + HG3 LYS 16 OK 50 100 50 100 2.4-3.0 2.9=90, 1.8/2785=58...(35) HD2 LYS 17 - HG3 LYS 16 far 0 96 0 - 4.4-5.8 HD3 LYS 20 - HG3 LYS 16 far 0 100 0 - 6.4-10.4 HD2 LYS 20 - HG3 LYS 16 far 0 100 0 - 7.4-10.1 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 2.7-3.6 3.7=100 * HE2 LYS 16 + HG3 LYS 16 OK 55 100 55 100 2.3-4.1 3.7=100 HE3 LYS 17 - HG3 LYS 16 far 0 92 0 - 5.8-7.5 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 2.7-3.6 3.7=100 HE2 LYS 16 + HG3 LYS 16 OK 55 100 55 100 2.3-4.1 3.7=100 HE3 LYS 17 - HG3 LYS 16 far 0 92 0 - 5.8-7.5 Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (7.60, 1.69, 29.24 ppm; 4.34 A increased from 4.08 A): 2 out of 4 assignments used, quality = 1.00: H LYS 16 + HD3 LYS 16 OK 99 99 100 100 3.0-4.3 1106/2.9=86, 1107/2.9=74...(15) * H LYS 16 + HD2 LYS 16 OK 65 100 65 100 1.9-4.5 1106/2.9=86, 1107/2.9=74...(13) H ASP 34 - HD2 LYS 40 far 0 78 0 - 8.8-11.2 H ASP 34 - HD3 LYS 40 far 0 76 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (3.84, 1.69, 29.24 ppm; 4.79 A increased from 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 16 + HD2 LYS 16 OK 100 100 100 100 3.7-4.7 2761/2.9=84, 5.2=77...(27) HA LYS 16 - HD3 LYS 16 far 0 99 0 - 4.9-5.5 HA LYS 39 - HD2 LYS 40 far 0 95 0 - 4.9-8.2 HA LYS 39 - HD3 LYS 40 far 0 93 0 - 6.4-8.6 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 17 assignments used, quality = 0.97: * HB2 LYS 16 + HD2 LYS 16 OK 82 100 85 97 2.1-3.7 2737=56, 3.0/2781=20...(34) HB3 LYS 16 + HD2 LYS 16 OK 68 100 70 98 2.3-3.0 3.6=46, 1.8/2737=39...(35) HB3 LYS 16 + HD3 LYS 16 OK 29 99 30 99 2.7-3.9 3.6=46, 3.0/2785=38...(42) HB2 LYS 16 + HD3 LYS 16 OK 24 99 25 97 2.8-4.2 3.6=46, 2737/1.8=39...(33) HB2 LYS 49 - HD2 LYS 44 far 0 26 0 - 3.7-12.6 HG LEU 45 - HD2 LYS 44 far 0 52 0 - 5.0-7.2 HB2 LYS 20 - HD2 LYS 16 far 0 92 0 - 5.8-10.0 HB3 LYS 20 - HD2 LYS 16 far 0 92 0 - 6.5-10.7 HB2 LYS 20 - HD3 LYS 16 far 0 90 0 - 6.9-10.5 HB3 LYS 20 - HD3 LYS 16 far 0 90 0 - 7.8-11.3 QE MET 42 - HD2 LYS 44 far 0 36 0 - 8.0-10.4 HG LEU 45 - HD3 LYS 40 far 0 93 0 - 8.7-11.8 QE MET 67 - HD2 LYS 40 far 0 95 0 - 9.0-10.2 QE MET 42 - HD2 LYS 40 far 0 72 0 - 9.1-11.3 HG LEU 45 - HD2 LYS 40 far 0 95 0 - 9.3-10.9 QE MET 42 - HD3 LYS 40 far 0 70 0 - 9.7-12.0 QE MET 67 - HD3 LYS 40 far 0 93 0 - 9.8-11.1 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 17 assignments used, quality = 0.97: HB2 LYS 16 + HD2 LYS 16 OK 82 100 85 97 2.1-3.7 2737=56, 3.0/2781=20...(34) * HB3 LYS 16 + HD2 LYS 16 OK 68 100 70 98 2.3-3.0 3.6=46, 1.8/2737=39...(35) HB3 LYS 16 + HD3 LYS 16 OK 30 99 30 99 2.7-3.9 3.6=46, 3.0/2785=38...(42) HB2 LYS 16 + HD3 LYS 16 OK 24 99 25 97 2.8-4.2 3.6=46, 2737/1.8=39...(33) HB2 LYS 49 - HD2 LYS 44 far 0 28 0 - 3.7-12.6 HG LEU 45 - HD2 LYS 44 far 0 52 0 - 5.0-7.2 HB2 LYS 20 - HD2 LYS 16 far 0 94 0 - 5.8-10.0 HB3 LYS 20 - HD2 LYS 16 far 0 94 0 - 6.5-10.7 HB2 LYS 20 - HD3 LYS 16 far 0 92 0 - 6.9-10.5 HB3 LYS 20 - HD3 LYS 16 far 0 92 0 - 7.8-11.3 QE MET 42 - HD2 LYS 44 far 0 34 0 - 8.0-10.4 HG LEU 45 - HD3 LYS 40 far 0 93 0 - 8.7-11.8 QE MET 67 - HD2 LYS 40 far 0 95 0 - 9.0-10.2 QE MET 42 - HD2 LYS 40 far 0 69 0 - 9.1-11.3 HG LEU 45 - HD2 LYS 40 far 0 95 0 - 9.3-10.9 QE MET 42 - HD3 LYS 40 far 0 67 0 - 9.7-12.0 QE MET 67 - HD3 LYS 40 far 0 93 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (1.63, 1.69, 29.24 ppm; 2.70 A increased from 2.40 A): 3 out of 5 assignments used, quality = 0.97: HG3 LYS 40 + HD3 LYS 40 OK 88 88 100 100 2.3-2.7 3694=95, 3723/3.0=26...(42) * HG2 LYS 16 + HD2 LYS 16 OK 50 100 50 99 2.6-3.0 2.9=78, ~2785=27...(31) HG2 LYS 16 + HD3 LYS 16 OK 49 99 50 99 2.3-3.0 2.9=78, 1.8/2785=53...(41) HG3 LYS 40 - HD2 LYS 40 far 9 90 10 - 2.6-3.0 HG3 LYS 40 - HD2 LYS 44 far 0 48 0 - 6.1-10.6 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 11 assignments used, quality = 0.96: HG3 LYS 16 + HD3 LYS 16 OK 88 99 90 99 2.3-3.0 2.9=70, 2795/3.0=20...(45) HG2 LYS 40 + HD3 LYS 40 OK 30 60 50 99 2.3-2.9 2.9=70, 1.8/3694=60...(36) * HG3 LYS 16 + HD2 LYS 16 OK 29 100 30 98 2.4-3.0 2.9=70, 2767/1.8=36...(30) HG2 LYS 40 + HD2 LYS 40 OK 28 62 45 99 2.5-3.0 2.9=70, 2.7/3701=39...(30) HG2 LYS 40 - HD2 LYS 44 far 0 30 0 - 7.5-11.6 QB ALA 113 - HD3 LYS 16 far 0 79 0 - 8.8-11.0 HG LEU 14 - HD3 LYS 16 far 0 64 0 - 9.1-10.8 HB3 LEU 114 - HD3 LYS 16 far 0 99 0 - 9.1-12.6 HB3 LEU 114 - HD2 LYS 16 far 0 100 0 - 9.3-12.0 QB ALA 113 - HD2 LYS 16 far 0 81 0 - 9.3-10.9 HG LEU 14 - HD2 LYS 16 far 0 65 0 - 9.3-11.0 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; 3.08 A increased from 2.74 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 16 + HD2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 16 + HD2 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 16 + HD3 LYS 16 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 16 + HD3 LYS 16 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 17 - HD3 LYS 16 far 0 90 0 - 5.2-8.6 HE3 LYS 17 - HD2 LYS 16 far 0 92 0 - 6.2-9.0 HB2 ASP 34 - HD2 LYS 40 far 0 95 0 - 7.6-11.3 HB2 ASP 34 - HD3 LYS 40 far 0 93 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 3.08 A increased from 2.74 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 16 + HD2 LYS 16 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 16 + HD2 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 16 + HD3 LYS 16 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 16 + HD3 LYS 16 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 17 - HD3 LYS 16 far 0 90 0 - 5.2-8.6 HE3 LYS 17 - HD2 LYS 16 far 0 92 0 - 6.2-9.0 HB2 ASP 34 - HD2 LYS 40 far 0 95 0 - 7.6-11.3 HB2 ASP 34 - HD3 LYS 40 far 0 93 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 2780 from cnoeabs.peaks (7.60, 1.69, 29.24 ppm; 4.35 A increased from 4.10 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 16 + HD3 LYS 16 OK 100 100 100 100 3.0-4.3 1106/2.9=86, 1107/2.9=74...(15) H LYS 16 + HD2 LYS 16 OK 65 99 65 100 1.9-4.5 1106/2.9=86, 1107/2.9=74...(13) H ASP 34 - HD2 LYS 40 far 0 71 0 - 8.8-11.2 H ASP 34 - HD3 LYS 40 far 0 68 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (3.84, 1.69, 29.24 ppm; 4.67 A increased from 4.15 A): 1 out of 5 assignments used, quality = 0.99: HA LYS 16 + HD2 LYS 16 OK 99 99 100 100 3.7-4.7 2761/2.9=82, 5.2=71...(27) ! HA LYS 16 - HD3 LYS 16 far 0 100 0 - 4.9-5.5 HA LYS 39 - HD2 LYS 40 far 0 88 0 - 4.9-8.2 HA LYS 39 - HD3 LYS 40 far 0 85 0 - 6.4-8.6 HA LYS 39 - HD3 LYS 44 far 0 57 0 - 9.7-10.8 Violated in 1 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.77 A): 2 out of 21 assignments used, quality = 0.94: HB2 LYS 16 + HD2 LYS 16 OK 82 99 85 97 2.1-3.7 2737=56, 3.0/2781=20...(34) HB3 LYS 16 + HD2 LYS 16 OK 68 99 70 97 2.3-3.0 3.6=44, 1.8/2737=38...(35) HB3 LYS 16 - HD3 LYS 16 poor 20 100 20 - 2.7-3.9 ! HB2 LYS 16 - HD3 LYS 16 poor 19 100 20 97 2.8-4.2 3.6=44, 2737/1.8=38...(33) HB2 LYS 49 - HD2 LYS 44 far 0 34 0 - 3.7-12.6 HG LEU 45 - HD3 LYS 44 far 0 57 0 - 4.2-7.8 HB2 LYS 49 - HD3 LYS 44 far 0 29 0 - 4.4-14.3 HG LEU 45 - HD2 LYS 44 far 0 67 0 - 5.0-7.2 HB2 LYS 20 - HD2 LYS 16 far 0 90 0 - 5.8-10.0 HB3 LYS 20 - HD2 LYS 16 far 0 90 0 - 6.5-10.7 HB2 LYS 20 - HD3 LYS 16 far 0 92 0 - 6.9-10.5 QE MET 42 - HD3 LYS 44 far 0 40 0 - 7.0-10.6 HB3 LYS 20 - HD3 LYS 16 far 0 92 0 - 7.8-11.3 QE MET 42 - HD2 LYS 44 far 0 48 0 - 8.0-10.4 HG LEU 45 - HD3 LYS 40 far 0 85 0 - 8.7-11.8 QE MET 67 - HD2 LYS 40 far 0 89 0 - 9.0-10.2 QE MET 42 - HD2 LYS 40 far 0 65 0 - 9.1-11.3 QE MET 67 - HD3 LYS 44 far 0 58 0 - 9.2-11.7 HG LEU 45 - HD2 LYS 40 far 0 88 0 - 9.3-10.9 QE MET 42 - HD3 LYS 40 far 0 62 0 - 9.7-12.0 QE MET 67 - HD3 LYS 40 far 0 85 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2783 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.77 A): 2 out of 21 assignments used, quality = 0.94: HB2 LYS 16 + HD2 LYS 16 OK 82 99 85 97 2.1-3.7 2737=56, 3.0/2781=20...(34) HB3 LYS 16 + HD2 LYS 16 OK 68 99 70 97 2.3-3.0 3.6=44, 1.8/2737=38...(35) HB2 LYS 16 - HD3 LYS 16 poor 20 100 20 - 2.8-4.2 ! HB3 LYS 16 - HD3 LYS 16 poor 20 100 20 99 2.7-3.9 3.6=44, 3.0/2785=37...(42) HB2 LYS 49 - HD2 LYS 44 far 0 37 0 - 3.7-12.6 HG LEU 45 - HD3 LYS 44 far 0 58 0 - 4.2-7.8 HB2 LYS 49 - HD3 LYS 44 far 0 31 0 - 4.4-14.3 HG LEU 45 - HD2 LYS 44 far 0 68 0 - 5.0-7.2 HB2 LYS 20 - HD2 LYS 16 far 0 92 0 - 5.8-10.0 HB3 LYS 20 - HD2 LYS 16 far 0 92 0 - 6.5-10.7 HB2 LYS 20 - HD3 LYS 16 far 0 94 0 - 6.9-10.5 QE MET 42 - HD3 LYS 44 far 0 38 0 - 7.0-10.6 HB3 LYS 20 - HD3 LYS 16 far 0 94 0 - 7.8-11.3 QE MET 42 - HD2 LYS 44 far 0 45 0 - 8.0-10.4 HG LEU 45 - HD3 LYS 40 far 0 85 0 - 8.7-11.8 QE MET 67 - HD2 LYS 40 far 0 88 0 - 9.0-10.2 QE MET 42 - HD2 LYS 40 far 0 62 0 - 9.1-11.3 QE MET 67 - HD3 LYS 44 far 0 58 0 - 9.2-11.7 HG LEU 45 - HD2 LYS 40 far 0 88 0 - 9.3-10.9 QE MET 42 - HD3 LYS 40 far 0 59 0 - 9.7-12.0 QE MET 67 - HD3 LYS 40 far 0 85 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 2784 from cnoeabs.peaks (1.63, 1.69, 29.24 ppm; 2.70 A increased from 2.40 A): 3 out of 6 assignments used, quality = 0.95: HG3 LYS 40 + HD3 LYS 40 OK 79 80 100 100 2.3-2.7 3694=92, 3723/3.0=26...(42) * HG2 LYS 16 + HD3 LYS 16 OK 50 100 50 99 2.3-3.0 2.9=78, 1.8/2785=54...(41) HG2 LYS 16 + HD2 LYS 16 OK 49 99 50 99 2.6-3.0 2.9=78, ~2785=27...(31) HG3 LYS 40 - HD2 LYS 40 far 8 83 10 - 2.6-3.0 HG3 LYS 40 - HD3 LYS 44 far 0 53 0 - 4.8-11.1 HG3 LYS 40 - HD2 LYS 44 far 0 62 0 - 6.1-10.6 Violated in 0 structures by 0.00 A. Peak 2785 from cnoeabs.peaks (1.40, 1.69, 29.24 ppm; 2.54 A): 2 out of 12 assignments used, quality = 0.91: * HG3 LYS 16 + HD3 LYS 16 OK 88 100 90 98 2.3-3.0 2.9=65, 2795/3.0=19...(45) HG2 LYS 40 + HD3 LYS 40 OK 24 53 45 99 2.3-2.9 2.9=65, 1.8/3694=55...(35) HG2 LYS 40 - HD2 LYS 40 poor 11 55 20 - 2.5-3.0 HG3 LYS 16 - HD2 LYS 16 far 10 99 10 - 2.4-3.0 HG2 LYS 40 - HD3 LYS 44 far 0 33 0 - 5.9-11.9 HG2 LYS 40 - HD2 LYS 44 far 0 40 0 - 7.5-11.6 QB ALA 113 - HD3 LYS 16 far 0 81 0 - 8.8-11.0 HG LEU 14 - HD3 LYS 16 far 0 65 0 - 9.1-10.8 HB3 LEU 114 - HD3 LYS 16 far 0 100 0 - 9.1-12.6 HB3 LEU 114 - HD2 LYS 16 far 0 99 0 - 9.3-12.0 QB ALA 113 - HD2 LYS 16 far 0 79 0 - 9.3-10.9 HG LEU 14 - HD2 LYS 16 far 0 64 0 - 9.3-11.0 Violated in 1 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; 3.14 A increased from 2.79 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 16 + HD3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 16 + HD3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 16 + HD2 LYS 16 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 16 + HD2 LYS 16 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 17 - HD3 LYS 16 far 0 92 0 - 5.2-8.6 HE3 LYS 17 - HD2 LYS 16 far 0 90 0 - 6.2-9.0 HB2 ASP 34 - HD2 LYS 40 far 0 88 0 - 7.6-11.3 HB2 ASP 34 - HD3 LYS 40 far 0 85 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 3.14 A increased from 2.79 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 16 + HD3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 16 + HD3 LYS 16 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 16 + HD2 LYS 16 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 16 + HD2 LYS 16 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 17 - HD3 LYS 16 far 0 92 0 - 5.2-8.6 HE3 LYS 17 - HD2 LYS 16 far 0 90 0 - 6.2-9.0 HB2 ASP 34 - HD2 LYS 40 far 0 88 0 - 7.6-11.3 HB2 ASP 34 - HD3 LYS 40 far 0 85 0 - 8.3-11.8 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 = 0.95: HA LYS 16 + HE3 LYS 16 OK 85 100 85 100 4.3-6.4 2761/3.7=96, 2781/3.0=94...(31) * HA LYS 16 + HE2 LYS 16 OK 65 100 65 100 5.3-6.7 2761/3.7=96, 2781/3.0=94...(31) HA LYS 16 - HE3 LYS 17 far 0 83 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 4.45 A increased from 3.56 A): 4 out of 22 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=68, 3.0/2795=56...(34) HB3 LYS 16 + HE3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=68, 3.0/2805=56...(45) * HB2 LYS 16 + HE2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=68, 2737/3.0=51...(34) HB3 LYS 16 + HE2 LYS 16 OK 65 100 65 100 3.1-5.0 5.1=68, 3.0/2794=39...(45) HG2 ARG 95 - HE3 LYS 94 poor 10 92 50 21 2.4-7.1 10097/6.9=21 HB2 ARG 95 - HE3 LYS 94 far 9 60 15 - 4.1-7.1 HB3 ARG 118 - HE2 LYS 115 far 0 94 0 - 4.6-8.5 HB3 ARG 118 - HE3 LYS 115 far 0 94 0 - 4.9-8.5 HB2 LYS 20 - HE3 LYS 17 far 0 71 0 - 6.6-7.6 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 7.3-8.9 HB2 LYS 20 - HE2 LYS 16 far 0 92 0 - 7.4-11.1 HB2 LEU 63 - HE2 LYS 65 far 0 87 0 - 7.6-11.7 HB3 LYS 20 - HE2 LYS 16 far 0 92 0 - 8.0-11.6 HB3 LYS 20 - HE3 LYS 17 far 0 71 0 - 8.1-9.1 HB3 LYS 16 - HE3 LYS 17 far 0 83 0 - 8.3-9.0 HB2 LEU 63 - HE3 LYS 65 far 0 87 0 - 8.4-12.0 HB2 LYS 20 - HE3 LYS 16 far 0 92 0 - 8.4-11.0 QE MET 67 - HE2 LYS 65 far 0 96 0 - 8.9-11.1 HB3 LYS 20 - HE3 LYS 16 far 0 92 0 - 9.0-11.5 QE MET 67 - HE3 LYS 65 far 0 96 0 - 9.1-11.1 HB2 ARG 95 - HE3 LYS 65 far 0 62 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 62 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 4.45 A increased from 3.56 A): 4 out of 22 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=68, 3.0/2795=56...(34) HB3 LYS 16 + HE3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=68, 3.0/2805=56...(45) HB2 LYS 16 + HE2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=68, 2737/3.0=51...(34) * HB3 LYS 16 + HE2 LYS 16 OK 65 100 65 100 3.1-5.0 5.1=68, 3.0/2794=39...(45) HB2 ARG 95 - HE3 LYS 94 far 10 63 15 - 4.1-7.1 HG2 ARG 95 - HE3 LYS 94 poor 9 91 50 20 2.4-7.1 10097/6.9=20 HB3 ARG 118 - HE2 LYS 115 far 0 92 0 - 4.6-8.5 HB3 ARG 118 - HE3 LYS 115 far 0 92 0 - 4.9-8.5 HB2 LYS 20 - HE3 LYS 17 far 0 73 0 - 6.6-7.6 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 7.3-8.9 HB2 LYS 20 - HE2 LYS 16 far 0 94 0 - 7.4-11.1 HB2 LEU 63 - HE2 LYS 65 far 0 84 0 - 7.6-11.7 HB3 LYS 20 - HE2 LYS 16 far 0 94 0 - 8.0-11.6 HB3 LYS 20 - HE3 LYS 17 far 0 73 0 - 8.1-9.1 HB3 LYS 16 - HE3 LYS 17 far 0 83 0 - 8.3-9.0 HB2 LEU 63 - HE3 LYS 65 far 0 84 0 - 8.4-12.0 HB2 LYS 20 - HE3 LYS 16 far 0 94 0 - 8.4-11.0 QE MET 67 - HE2 LYS 65 far 0 96 0 - 8.9-11.1 HB3 LYS 20 - HE3 LYS 16 far 0 94 0 - 9.0-11.5 QE MET 67 - HE3 LYS 65 far 0 96 0 - 9.1-11.1 HB2 ARG 95 - HE3 LYS 65 far 0 66 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 66 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2794 from cnoeabs.peaks (1.63, 2.91, 41.78 ppm; 3.12 A increased from 2.63 A): 2 out of 13 assignments used, quality = 0.97: HG2 LYS 16 + HE3 LYS 16 OK 89 100 90 99 2.1-3.7 3.7=62, 1.8/2795=42...(38) * HG2 LYS 16 + HE2 LYS 16 OK 74 100 75 99 2.0-3.6 3.7=62, ~2805=26...(38) HG LEU 90 - HE3 LYS 94 far 0 76 0 - 3.9-5.1 HB3 LEU 64 - HE2 LYS 65 far 0 95 0 - 5.4-8.6 HG2 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.8-8.5 HB3 LEU 64 - HE3 LYS 65 far 0 95 0 - 6.2-8.6 HB2 LEU 82 - HE3 LYS 94 far 0 89 0 - 6.5-7.3 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 7.0-9.1 HB ILE 116 - HE3 LYS 115 far 0 100 0 - 7.0-9.8 HB ILE 116 - HE2 LYS 115 far 0 100 0 - 7.3-9.9 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 7.3-9.0 HG LEU 63 - HE2 LYS 65 far 0 90 0 - 8.0-12.6 HG LEU 63 - HE3 LYS 65 far 0 90 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 2795 from cnoeabs.peaks (1.40, 2.91, 41.78 ppm; 3.43 A increased from 3.23 A): 2 out of 18 assignments used, quality = 0.94: HG3 LYS 16 + HE3 LYS 16 OK 90 100 90 100 2.7-3.6 3.7=82, 2785/3.0=54...(41) * HG3 LYS 16 + HE2 LYS 16 OK 40 100 40 100 2.3-4.1 3.7=82, 2785/3.0=54...(41) HG3 LYS 106 - HE3 LYS 94 lone 0 89 35 0 2.6-4.7 HB3 LEU 114 - HE3 LYS 17 far 0 83 0 - 4.9-5.9 QB ALA 113 - HE3 LYS 17 far 0 60 0 - 5.7-6.7 HG3 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.8-7.5 HB3 LEU 114 - HE3 LYS 115 far 0 100 0 - 6.3-10.5 HB3 LEU 114 - HE2 LYS 115 far 0 100 0 - 6.5-10.5 QB ALA 113 - HE3 LYS 115 far 0 80 0 - 6.6-10.0 QB ALA 113 - HE2 LYS 115 far 0 80 0 - 6.7-9.6 HB3 LEU 68 - HE2 LYS 65 far 0 70 0 - 7.0-10.0 HB3 LEU 68 - HE3 LYS 65 far 0 70 0 - 7.1-10.3 HG LEU 14 - HE3 LYS 17 far 0 47 0 - 7.2-8.0 HG LEU 14 - HE3 LYS 16 far 0 65 0 - 8.5-11.6 HG LEU 14 - HE2 LYS 16 far 0 65 0 - 8.5-11.9 QB ALA 113 - HE3 LYS 16 far 0 81 0 - 8.5-11.6 QB ALA 113 - HE2 LYS 16 far 0 81 0 - 8.7-11.8 HB3 LEU 114 - HE3 LYS 16 far 0 100 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.73 A increased from 2.57 A): 5 out of 23 assignments used, quality = 0.98: HD2 LYS 17 + HE3 LYS 17 OK 68 80 90 94 2.6-3.0 2.9=80, 2864/3.8=30...(9) * HD2 LYS 16 + HE2 LYS 16 OK 59 100 65 91 2.2-3.0 3.0=76, ~2805=12...(12) HD3 LYS 16 + HE2 LYS 16 OK 55 100 60 91 2.3-3.0 3.0=76, 2785/3.7=26...(11) HD3 LYS 16 + HE3 LYS 16 OK 54 100 60 90 2.3-3.0 3.0=76, 2785/3.7=26...(12) HD2 LYS 16 + HE3 LYS 16 OK 36 100 40 91 2.3-3.0 3.0=76, 2.9/2795=23...(12) HG3 ARG 95 - HE3 LYS 94 far 4 82 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 0 95 0 - 3.0-11.3 HD2 LYS 96 - HE3 LYS 65 far 0 93 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 95 0 - 3.8-11.8 HD2 LYS 17 - HE3 LYS 16 far 0 99 0 - 4.3-8.1 HD2 LYS 17 - HE2 LYS 16 far 0 99 0 - 4.3-8.4 HD2 LYS 96 - HE2 LYS 65 far 0 93 0 - 5.2-11.4 HD3 LYS 16 - HE3 LYS 17 far 0 82 0 - 5.2-8.6 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 5.9-12.8 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.2-12.8 HD2 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.2-9.0 HD2 LYS 20 - HE3 LYS 17 far 0 82 0 - 7.0-10.0 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.5-12.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 7.6-12.4 HD2 LYS 96 - HE3 LYS 94 far 0 91 0 - 7.7-11.6 HD3 LYS 20 - HE3 LYS 17 far 0 83 0 - 8.4-9.5 HD3 LYS 96 - HE3 LYS 94 far 0 92 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 84 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 2797 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.73 A increased from 2.57 A): 5 out of 23 assignments used, quality = 0.98: HD2 LYS 17 + HE3 LYS 17 OK 63 75 90 94 2.6-3.0 2.9=80, 2864/3.8=28...(8) HD2 LYS 16 + HE2 LYS 16 OK 59 100 65 91 2.2-3.0 3.0=76, ~2805=12...(12) * HD3 LYS 16 + HE2 LYS 16 OK 55 100 60 91 2.3-3.0 3.0=76, 2785/3.7=26...(11) HD3 LYS 16 + HE3 LYS 16 OK 54 100 60 90 2.3-3.0 3.0=76, 2785/3.7=26...(12) HD2 LYS 16 + HE3 LYS 16 OK 36 100 40 91 2.3-3.0 3.0=76, 2.9/2795=23...(12) HG3 ARG 95 - HE3 LYS 94 far 4 73 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 0 92 0 - 3.0-11.3 HD2 LYS 96 - HE3 LYS 65 far 0 89 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 92 0 - 3.8-11.8 HD2 LYS 17 - HE3 LYS 16 far 0 96 0 - 4.3-8.1 HD2 LYS 17 - HE2 LYS 16 far 0 96 0 - 4.3-8.4 HD2 LYS 96 - HE2 LYS 65 far 0 89 0 - 5.2-11.4 HD3 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.2-8.6 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 5.9-12.8 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.2-12.8 HD2 LYS 16 - HE3 LYS 17 far 0 82 0 - 6.2-9.0 HD2 LYS 20 - HE3 LYS 17 far 0 83 0 - 7.0-10.0 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.5-12.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 7.6-12.4 HD2 LYS 96 - HE3 LYS 94 far 0 86 0 - 7.7-11.6 HD3 LYS 20 - HE3 LYS 17 far 0 82 0 - 8.4-9.5 HD3 LYS 96 - HE3 LYS 94 far 0 89 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 76 0 - 10.0-15.8 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 = 0.95: * HA LYS 16 + HE3 LYS 16 OK 85 100 85 100 4.3-6.4 2761/3.7=96, 2781/3.0=94...(31) HA LYS 16 + HE2 LYS 16 OK 65 100 65 100 5.3-6.7 2761/3.7=96, 2781/3.0=94...(31) HA LYS 16 - HE3 LYS 17 far 0 83 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 2802 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 4.45 A increased from 3.56 A): 4 out of 22 assignments used, quality = 1.00: * HB2 LYS 16 + HE3 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=68, 3.0/2795=56...(34) HB3 LYS 16 + HE3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=68, 3.0/2805=56...(45) HB2 LYS 16 + HE2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=68, 2737/3.0=51...(34) HB3 LYS 16 + HE2 LYS 16 OK 65 100 65 100 3.1-5.0 5.1=68, 3.0/2794=39...(45) HG2 ARG 95 - HE3 LYS 94 poor 10 92 50 21 2.4-7.1 10097/6.9=21 HB2 ARG 95 - HE3 LYS 94 far 9 60 15 - 4.1-7.1 HB3 ARG 118 - HE2 LYS 115 far 0 94 0 - 4.6-8.5 HB3 ARG 118 - HE3 LYS 115 far 0 94 0 - 4.9-8.5 HB2 LYS 20 - HE3 LYS 17 far 0 71 0 - 6.6-7.6 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 7.3-8.9 HB2 LYS 20 - HE2 LYS 16 far 0 92 0 - 7.4-11.1 HB2 LEU 63 - HE2 LYS 65 far 0 87 0 - 7.6-11.7 HB3 LYS 20 - HE2 LYS 16 far 0 92 0 - 8.0-11.6 HB3 LYS 20 - HE3 LYS 17 far 0 71 0 - 8.1-9.1 HB3 LYS 16 - HE3 LYS 17 far 0 83 0 - 8.3-9.0 HB2 LEU 63 - HE3 LYS 65 far 0 87 0 - 8.4-12.0 HB2 LYS 20 - HE3 LYS 16 far 0 92 0 - 8.4-11.0 QE MET 67 - HE2 LYS 65 far 0 96 0 - 8.9-11.1 HB3 LYS 20 - HE3 LYS 16 far 0 92 0 - 9.0-11.5 QE MET 67 - HE3 LYS 65 far 0 96 0 - 9.1-11.1 HB2 ARG 95 - HE3 LYS 65 far 0 62 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 62 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2803 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 4.45 A increased from 3.56 A): 4 out of 22 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 85 100 85 100 2.2-4.6 5.1=68, 3.0/2795=56...(34) * HB3 LYS 16 + HE3 LYS 16 OK 75 100 75 100 2.0-4.8 5.1=68, 3.0/2805=56...(45) HB2 LYS 16 + HE2 LYS 16 OK 70 100 70 100 3.5-5.0 5.1=68, 2737/3.0=51...(34) HB3 LYS 16 + HE2 LYS 16 OK 65 100 65 100 3.1-5.0 5.1=68, 3.0/2794=39...(45) HB2 ARG 95 - HE3 LYS 94 far 10 63 15 - 4.1-7.1 HG2 ARG 95 - HE3 LYS 94 poor 9 91 50 20 2.4-7.1 10097/6.9=20 HB3 ARG 118 - HE2 LYS 115 far 0 92 0 - 4.6-8.5 HB3 ARG 118 - HE3 LYS 115 far 0 92 0 - 4.9-8.5 HB2 LYS 20 - HE3 LYS 17 far 0 73 0 - 6.6-7.6 HB2 LYS 16 - HE3 LYS 17 far 0 83 0 - 7.3-8.9 HB2 LYS 20 - HE2 LYS 16 far 0 94 0 - 7.4-11.1 HB2 LEU 63 - HE2 LYS 65 far 0 84 0 - 7.6-11.7 HB3 LYS 20 - HE2 LYS 16 far 0 94 0 - 8.0-11.6 HB3 LYS 20 - HE3 LYS 17 far 0 73 0 - 8.1-9.1 HB3 LYS 16 - HE3 LYS 17 far 0 83 0 - 8.3-9.0 HB2 LEU 63 - HE3 LYS 65 far 0 84 0 - 8.4-12.0 HB2 LYS 20 - HE3 LYS 16 far 0 94 0 - 8.4-11.0 QE MET 67 - HE2 LYS 65 far 0 96 0 - 8.9-11.1 HB3 LYS 20 - HE3 LYS 16 far 0 94 0 - 9.0-11.5 QE MET 67 - HE3 LYS 65 far 0 96 0 - 9.1-11.1 HB2 ARG 95 - HE3 LYS 65 far 0 66 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 66 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (1.63, 2.91, 41.78 ppm; 3.12 A increased from 2.63 A): 2 out of 13 assignments used, quality = 0.97: * HG2 LYS 16 + HE3 LYS 16 OK 89 100 90 99 2.1-3.7 3.7=62, 1.8/2795=42...(38) HG2 LYS 16 + HE2 LYS 16 OK 74 100 75 99 2.0-3.6 3.7=62, ~2805=26...(38) HG LEU 90 - HE3 LYS 94 far 0 76 0 - 3.9-5.1 HB3 LEU 64 - HE2 LYS 65 far 0 95 0 - 5.4-8.6 HG2 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.8-8.5 HB3 LEU 64 - HE3 LYS 65 far 0 95 0 - 6.2-8.6 HB2 LEU 82 - HE3 LYS 94 far 0 89 0 - 6.5-7.3 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 7.0-9.1 HB ILE 116 - HE3 LYS 115 far 0 100 0 - 7.0-9.8 HB ILE 116 - HE2 LYS 115 far 0 100 0 - 7.3-9.9 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 7.3-9.0 HG LEU 63 - HE2 LYS 65 far 0 90 0 - 8.0-12.6 HG LEU 63 - HE3 LYS 65 far 0 90 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (1.40, 2.91, 41.78 ppm; 3.43 A increased from 3.23 A): 2 out of 18 assignments used, quality = 0.94: * HG3 LYS 16 + HE3 LYS 16 OK 90 100 90 100 2.7-3.6 3.7=82, 2785/3.0=54...(41) HG3 LYS 16 + HE2 LYS 16 OK 40 100 40 100 2.3-4.1 3.7=82, 2785/3.0=54...(41) HG3 LYS 106 - HE3 LYS 94 lone 0 89 35 0 2.6-4.7 HB3 LEU 114 - HE3 LYS 17 far 0 83 0 - 4.9-5.9 QB ALA 113 - HE3 LYS 17 far 0 60 0 - 5.7-6.7 HG3 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.8-7.5 HB3 LEU 114 - HE3 LYS 115 far 0 100 0 - 6.3-10.5 HB3 LEU 114 - HE2 LYS 115 far 0 100 0 - 6.5-10.5 QB ALA 113 - HE3 LYS 115 far 0 80 0 - 6.6-10.0 QB ALA 113 - HE2 LYS 115 far 0 80 0 - 6.7-9.6 HB3 LEU 68 - HE2 LYS 65 far 0 70 0 - 7.0-10.0 HB3 LEU 68 - HE3 LYS 65 far 0 70 0 - 7.1-10.3 HG LEU 14 - HE3 LYS 17 far 0 47 0 - 7.2-8.0 HG LEU 14 - HE3 LYS 16 far 0 65 0 - 8.5-11.6 HG LEU 14 - HE2 LYS 16 far 0 65 0 - 8.5-11.9 QB ALA 113 - HE3 LYS 16 far 0 81 0 - 8.5-11.6 QB ALA 113 - HE2 LYS 16 far 0 81 0 - 8.7-11.8 HB3 LEU 114 - HE3 LYS 16 far 0 100 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 2806 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.73 A increased from 2.57 A): 5 out of 23 assignments used, quality = 0.98: HD2 LYS 17 + HE3 LYS 17 OK 68 80 90 94 2.6-3.0 2.9=80, 2864/3.8=30...(9) HD2 LYS 16 + HE2 LYS 16 OK 59 100 65 91 2.2-3.0 3.0=76, ~2805=12...(12) HD3 LYS 16 + HE2 LYS 16 OK 55 100 60 91 2.3-3.0 3.0=76, 2785/3.7=26...(11) HD3 LYS 16 + HE3 LYS 16 OK 54 100 60 90 2.3-3.0 3.0=76, 2785/3.7=26...(12) * HD2 LYS 16 + HE3 LYS 16 OK 36 100 40 91 2.3-3.0 3.0=76, 2.9/2795=23...(12) HG3 ARG 95 - HE3 LYS 94 far 4 82 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 0 95 0 - 3.0-11.3 HD2 LYS 96 - HE3 LYS 65 far 0 93 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 95 0 - 3.8-11.8 HD2 LYS 17 - HE3 LYS 16 far 0 99 0 - 4.3-8.1 HD2 LYS 17 - HE2 LYS 16 far 0 99 0 - 4.3-8.4 HD2 LYS 96 - HE2 LYS 65 far 0 93 0 - 5.2-11.4 HD3 LYS 16 - HE3 LYS 17 far 0 82 0 - 5.2-8.6 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 5.9-12.8 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.2-12.8 HD2 LYS 16 - HE3 LYS 17 far 0 83 0 - 6.2-9.0 HD2 LYS 20 - HE3 LYS 17 far 0 82 0 - 7.0-10.0 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.5-12.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 7.6-12.4 HD2 LYS 96 - HE3 LYS 94 far 0 91 0 - 7.7-11.6 HD3 LYS 20 - HE3 LYS 17 far 0 83 0 - 8.4-9.5 HD3 LYS 96 - HE3 LYS 94 far 0 92 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 84 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.73 A increased from 2.57 A): 5 out of 23 assignments used, quality = 0.98: HD2 LYS 17 + HE3 LYS 17 OK 63 75 90 94 2.6-3.0 2.9=80, 2864/3.8=28...(8) HD2 LYS 16 + HE2 LYS 16 OK 59 100 65 91 2.2-3.0 3.0=76, ~2805=12...(12) HD3 LYS 16 + HE2 LYS 16 OK 55 100 60 91 2.3-3.0 3.0=76, 2785/3.7=26...(11) * HD3 LYS 16 + HE3 LYS 16 OK 54 100 60 90 2.3-3.0 3.0=76, 2785/3.7=26...(12) HD2 LYS 16 + HE3 LYS 16 OK 36 100 40 91 2.3-3.0 3.0=76, 2.9/2795=23...(12) HG3 ARG 95 - HE3 LYS 94 far 4 73 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 0 92 0 - 3.0-11.3 HD2 LYS 96 - HE3 LYS 65 far 0 89 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 92 0 - 3.8-11.8 HD2 LYS 17 - HE3 LYS 16 far 0 96 0 - 4.3-8.1 HD2 LYS 17 - HE2 LYS 16 far 0 96 0 - 4.3-8.4 HD2 LYS 96 - HE2 LYS 65 far 0 89 0 - 5.2-11.4 HD3 LYS 16 - HE3 LYS 17 far 0 83 0 - 5.2-8.6 HD3 LYS 20 - HE2 LYS 16 far 0 100 0 - 5.9-12.8 HD3 LYS 20 - HE3 LYS 16 far 0 100 0 - 6.2-12.8 HD2 LYS 16 - HE3 LYS 17 far 0 82 0 - 6.2-9.0 HD2 LYS 20 - HE3 LYS 17 far 0 83 0 - 7.0-10.0 HD2 LYS 20 - HE2 LYS 16 far 0 100 0 - 7.5-12.5 HD2 LYS 20 - HE3 LYS 16 far 0 100 0 - 7.6-12.4 HD2 LYS 96 - HE3 LYS 94 far 0 86 0 - 7.7-11.6 HD3 LYS 20 - HE3 LYS 17 far 0 82 0 - 8.4-9.5 HD3 LYS 96 - HE3 LYS 94 far 0 89 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 76 0 - 10.0-15.8 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 - 7.0-7.4 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 2.5-2.6 3.0=100 HB VAL 22 - HA LYS 17 far 0 94 0 - 9.9-10.4 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 2 assignments used, quality = 1.00: * HB3 LYS 17 + HA LYS 17 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 15 - HA LYS 17 far 0 97 0 - 7.1-7.5 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 2.7-3.0 3.9=87, 1.8/2815=79...(19) HG12 ILE 18 - HA LYS 17 far 0 92 0 - 5.3-5.6 HB2 LEU 114 - HA LYS 17 far 0 57 0 - 7.7-8.2 Violated in 0 structures by 0.00 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 2.4-2.7 2851=78, 1.8/2814=66...(19) QB ALA 113 - HA LYS 17 far 0 61 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (1.68, 3.99, 59.84 ppm; 4.72 A increased from 3.78 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HA LYS 17 OK 100 100 100 100 4.5-4.6 4.8=95, 2863/3.0=91...(22) HD3 LYS 16 + HA LYS 17 OK 28 96 30 97 2.9-6.6 ~7368=41, ~7369=40...(12) HD3 LYS 20 + HA LYS 17 OK 24 98 25 98 4.3-6.2 3.0/2817=76...(6) HD2 LYS 16 - HA LYS 17 far 5 99 5 - 2.7-6.5 HD2 LYS 20 - HA LYS 17 far 0 97 0 - 4.9-6.1 Violated in 0 structures by 0.00 A. Peak 2817 from cnoeabs.peaks (1.52, 3.99, 59.84 ppm; 4.15 A): 1 out of 3 assignments used, quality = 0.86: HG2 LYS 20 + HA LYS 17 OK 86 90 100 96 2.5-3.7 1.8/11543=63, 11542=61...(6) ! HD3 LYS 17 - HA LYS 17 far 0 100 0 - 4.7-4.9 HB3 LEU 14 - HA LYS 17 far 0 61 0 - 7.9-8.3 Violated in 0 structures by 0.00 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 3.5-3.6 4.0=100 H LEU 14 - HB2 LYS 17 far 0 98 0 - 6.0-6.6 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 2.5-2.6 3.0=100 HA LEU 14 + HB2 LYS 17 OK 29 97 30 100 3.6-4.3 7977=70, 7979/1.8=62...(12) HA GLU 111 - HB2 LYS 17 far 0 99 0 - 5.6-6.5 HA GLU 112 - HB2 LYS 17 far 0 99 0 - 9.6-10.3 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 - 7.7-8.2 HB2 LYS 115 - HB2 LYS 17 far 0 98 0 - 9.8-11.1 HB3 LYS 115 - HB2 LYS 17 far 0 87 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2824 from cnoeabs.peaks (1.75, 1.99, 33.06 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HB2 LYS 17 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 18 - HB2 LYS 17 far 14 92 15 - 3.8-4.3 HB2 LEU 114 - HB2 LYS 17 far 0 57 0 - 5.4-6.0 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 2 assignments used, quality = 1.00: * HG3 LYS 17 + HB2 LYS 17 OK 100 100 100 100 2.3-2.5 3.0=100 QB ALA 113 - HB2 LYS 17 far 0 61 0 - 5.5-6.4 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 2.7-3.2 3.7=100 HD3 LYS 16 - HB2 LYS 17 far 0 96 0 - 4.4-7.9 HD2 LYS 16 - HB2 LYS 17 far 0 99 0 - 4.9-7.6 HD2 LYS 20 - HB2 LYS 17 far 0 97 0 - 6.1-8.3 HD3 LYS 20 - HB2 LYS 17 far 0 98 0 - 6.7-7.7 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (1.52, 1.99, 33.06 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HB2 LYS 17 OK 100 100 100 100 3.7-3.9 3.7=100 HG2 LYS 20 - HB2 LYS 17 far 0 90 0 - 4.7-5.6 HB3 LEU 14 - HB2 LYS 17 far 0 61 0 - 6.6-7.2 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 2.4-3.9 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): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HB3 LYS 17 OK 100 100 100 100 2.3-2.5 4.0=100 H LEU 14 - HB3 LYS 17 far 5 98 5 - 4.4-4.9 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 3 assignments used, quality = 1.00: * HA LYS 17 + HB3 LYS 17 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 14 + HB3 LYS 17 OK 97 97 100 100 2.2-2.7 7979=71, 7977/1.8=59...(12) HA GLU 111 - HB3 LYS 17 far 0 99 0 - 6.3-7.2 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 2.4-2.6 3.0=100 HG12 ILE 18 + HB3 LYS 17 OK 71 92 100 77 3.3-3.5 96/95=48, 11676/11476=36 HB2 LEU 114 - HB3 LYS 17 far 0 57 0 - 6.3-7.0 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 3.0-3.0 3.0=100 QB ALA 113 - HB3 LYS 17 far 0 61 0 - 5.1-5.8 HB3 GLN 83 - HB3 LYS 17 far 0 94 0 - 9.7-10.1 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 2.2-2.4 3.7=100 HD3 LYS 16 - HB3 LYS 17 far 0 96 0 - 3.9-6.9 HD2 LYS 16 - HB3 LYS 17 far 0 99 0 - 4.6-6.4 HD3 LYS 20 - HB3 LYS 17 far 0 98 0 - 7.0-8.5 HD2 LYS 20 - HB3 LYS 17 far 0 97 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.52, 1.92, 33.06 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HB3 LYS 17 OK 100 100 100 100 3.4-3.7 3.7=100 HB3 LEU 14 - HB3 LYS 17 far 0 61 0 - 5.1-5.6 HG2 LYS 20 - HB3 LYS 17 far 0 90 0 - 5.2-6.0 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 2.9-4.5 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): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.2-2.6 1116=100, 1117/1.8=82...(14) H LEU 14 - HG2 LYS 17 far 0 98 0 - 4.9-5.5 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 3 assignments used, quality = 1.00: * HA LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.7-3.0 3.9=100 HA LEU 14 + HG2 LYS 17 OK 82 97 85 100 3.9-4.4 2861/2864=65...(12) HA GLU 111 - HG2 LYS 17 far 0 99 0 - 7.4-8.4 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 1 assignment used, quality = 1.00: * HB2 LYS 17 + HG2 LYS 17 OK 100 100 100 100 3.0-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HB3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.4-2.6 3.0=100 HB ILE 15 - HG2 LYS 17 far 0 97 0 - 6.4-6.9 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 2 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 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (1.68, 1.75, 25.82 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.4-2.7 3.0=100 HD3 LYS 16 + HG2 LYS 17 OK 28 96 55 53 2.0-5.1 3699/7074=32...(7) HD2 LYS 16 - HG2 LYS 17 far 5 99 5 - 3.3-5.5 HD3 LYS 20 - HG2 LYS 17 far 0 98 0 - 6.5-9.0 HD2 LYS 20 - HG2 LYS 17 far 0 97 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (1.52, 1.75, 25.82 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 2.3-2.4 3.0=100 HG2 LYS 20 - HG2 LYS 17 far 0 90 0 - 5.3-6.5 HB3 LEU 14 - HG2 LYS 17 far 0 61 0 - 6.4-6.9 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 3.6-4.2 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 3 assignments used, quality = 1.00: * HE3 LYS 17 + HG2 LYS 17 OK 100 100 100 100 3.5-3.6 3.8=100 HE3 LYS 16 - HG2 LYS 17 poor 18 92 55 35 2.3-6.2 3.0/2846=18, 2894=8...(5) HE2 LYS 16 - HG2 LYS 17 poor 13 92 45 31 2.7-6.3 3.0/2846=18, 1.8/2894=8...(4) 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 3.5-3.7 1117=100, 1116/1.8=95...(11) H LEU 14 - HG3 LYS 17 far 0 98 0 - 6.3-6.8 Violated in 0 structures by 0.00 A. Peak 2851 from cnoeabs.peaks (3.99, 1.43, 25.82 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.4-2.7 2815=100, 2814/1.8=77...(19) HA LEU 14 - HG3 LYS 17 far 0 97 0 - 4.8-5.3 HA GLU 111 - HG3 LYS 17 far 0 99 0 - 6.5-7.7 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 1 assignment used, quality = 1.00: * HB2 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.3-2.5 3.0=100 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 2 assignments used, quality = 1.00: * HB3 LYS 17 + HG3 LYS 17 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 15 - HG3 LYS 17 far 0 97 0 - 8.0-8.6 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 0 92 0 - 6.1-6.3 HB2 LEU 114 - HG3 LYS 17 far 0 57 0 - 7.3-8.0 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 3.0-3.0 3.0=100 HD3 LYS 16 - HG3 LYS 17 far 5 96 5 - 2.8-6.6 HD2 LYS 16 - HG3 LYS 17 far 0 99 0 - 3.8-7.1 HD3 LYS 20 - HG3 LYS 17 far 0 98 0 - 6.4-7.9 HD2 LYS 20 - HG3 LYS 17 far 0 97 0 - 6.9-8.3 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 2.4-2.7 3.0=100 HG2 LYS 20 - HG3 LYS 17 far 0 90 0 - 4.9-5.7 HB3 LEU 14 - HG3 LYS 17 far 0 61 0 - 7.5-8.0 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 2.6-3.6 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 3 assignments used, quality = 1.00: * HE3 LYS 17 + HG3 LYS 17 OK 100 100 100 100 2.3-2.6 3.8=100 HE2 LYS 16 - HG3 LYS 17 far 14 92 15 - 4.1-7.7 HE3 LYS 16 - HG3 LYS 17 poor 9 92 35 29 3.5-7.5 ~2846=11, 2849/1.8=10...(5) 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 3.6-4.2 1116/2864=86...(14) H LEU 14 + HD2 LYS 17 OK 83 98 85 99 3.7-4.8 3.0/2861=74...(10) Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (3.99, 1.68, 29.70 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.96: HA LEU 14 + HD2 LYS 17 OK 96 97 100 99 2.5-3.1 2871/1.8=65...(13) ! HA LYS 17 - HD2 LYS 17 far 0 100 0 - 4.5-4.6 HA GLU 111 - HD2 LYS 17 far 0 99 0 - 5.1-6.2 HA GLU 112 - HD2 LYS 17 far 0 99 0 - 9.1-10.2 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 2.7-3.2 1.8/2863=78, 3.7=75...(23) Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (1.92, 1.68, 29.70 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 17 + HD2 LYS 17 OK 100 100 100 100 2.2-2.4 1.8/2862=61, 3.7=59...(20) HB ILE 15 - HD2 LYS 17 far 0 97 0 - 7.1-8.0 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 2.4-2.7 3.0=85, 3.0/2863=40...(22) HG12 ILE 18 - HD2 LYS 17 far 0 92 0 - 4.7-5.3 HB2 LEU 114 - HD2 LYS 17 far 0 57 0 - 6.1-7.6 Violated in 0 structures by 0.00 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 3.0-3.0 3.0=100 QB ALA 113 - HD2 LYS 17 far 0 61 0 - 5.2-6.0 HB3 GLN 83 - HD2 LYS 17 far 0 94 0 - 9.7-10.1 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 - 4.8-5.7 HG2 LYS 20 - HD2 LYS 17 far 0 90 0 - 7.0-7.8 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 3 assignments used, quality = 1.00: * HE3 LYS 17 + HD2 LYS 17 OK 100 100 100 100 2.6-3.0 2.9=100 HE3 LYS 16 - HD2 LYS 17 far 0 92 0 - 4.3-8.1 HE2 LYS 16 - HD2 LYS 17 far 0 92 0 - 4.3-8.4 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 4.2-4.7 1116/3.0=92, 1115/3.7=86...(13) H LEU 14 + HD3 LYS 17 OK 39 98 40 100 4.7-5.4 3.0/2871=78...(9) Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (3.99, 1.52, 29.70 ppm; 4.42 A increased from 4.16 A): 1 out of 3 assignments used, quality = 0.97: HA LEU 14 + HD3 LYS 17 OK 97 97 100 100 4.0-4.4 2861/1.8=86, 7979/3.7=55...(12) ! HA LYS 17 - HD3 LYS 17 far 0 100 0 - 4.7-4.9 HA GLU 111 - HD3 LYS 17 far 0 99 0 - 6.0-7.0 Violated in 3 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 3.7-3.9 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 2 assignments used, quality = 1.00: * HB3 LYS 17 + HD3 LYS 17 OK 100 100 100 100 3.4-3.7 3.7=100 HB ILE 15 - HD3 LYS 17 far 0 97 0 - 7.8-8.5 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 2.3-2.4 3.0=100 HG12 ILE 18 - HD3 LYS 17 far 0 92 0 - 6.4-6.8 HB2 LEU 114 - HD3 LYS 17 far 0 57 0 - 7.5-8.4 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 2 assignments used, quality = 1.00: * HG3 LYS 17 + HD3 LYS 17 OK 100 100 100 100 2.4-2.7 3.0=100 QB ALA 113 - HD3 LYS 17 far 0 61 0 - 6.6-7.2 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 HD3 LYS 16 - HD3 LYS 17 far 0 96 0 - 4.0-6.5 HD2 LYS 16 - HD3 LYS 17 far 0 99 0 - 5.5-7.4 HD3 LYS 20 - HD3 LYS 17 far 0 98 0 - 8.7-10.5 HD2 LYS 20 - HD3 LYS 17 far 0 97 0 - 9.3-10.7 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 3 assignments used, quality = 1.00: * HE3 LYS 17 + HD3 LYS 17 OK 100 100 100 100 2.6-3.0 2.9=100 HE2 LYS 16 - HD3 LYS 17 far 9 92 10 - 3.3-7.8 HE3 LYS 16 - HD3 LYS 17 poor 7 92 35 21 3.1-8.1 2849/3.0=7, ~2846=6...(5) 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 4.8-5.8 2815/3.8=97, 3.0/2883=96...(21) HA LEU 14 + HE2 LYS 17 OK 97 97 100 100 3.3-5.8 2861/2.9=99, 2871/2.9=96...(10) HA GLU 111 + HE2 LYS 17 OK 90 99 100 90 3.6-6.0 3.9/11462=88, 2891/1.8=17 HA GLU 112 - HE2 LYS 17 far 0 99 0 - 8.2-10.7 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 2.4-3.9 2892/1.8=95, 2862/2.9=87...(18) 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 2.9-4.5 2893/1.8=95, 2863/2.9=86...(14) HB ILE 15 - HE2 LYS 17 far 0 97 0 - 8.7-10.3 HB3 LYS 115 - HE2 LYS 17 far 0 87 0 - 9.3-12.4 HB2 LYS 115 - HE2 LYS 17 far 0 98 0 - 9.3-11.8 Violated in 3 structures by 0.01 A. Peak 2884 from cnoeabs.peaks (1.75, 2.85, 41.78 ppm; 4.29 A increased from 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 17 + HE2 LYS 17 OK 100 100 100 100 3.6-4.2 3.8=100 HG12 ILE 18 - HE2 LYS 17 far 0 92 0 - 4.8-7.4 HB2 LEU 114 - HE2 LYS 17 far 0 57 0 - 5.2-7.7 Violated in 0 structures by 0.00 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 2.6-3.6 3.8=100 QB ALA 113 - HE2 LYS 17 far 0 61 0 - 5.1-7.5 HB3 GLN 83 - HE2 LYS 17 far 0 94 0 - 9.6-12.6 Violated in 0 structures by 0.00 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 HD3 LYS 16 - HE2 LYS 17 far 0 96 0 - 5.8-9.0 HD2 LYS 16 - HE2 LYS 17 far 0 99 0 - 6.9-8.7 HD2 LYS 20 - HE2 LYS 17 far 0 97 0 - 8.7-11.5 HD3 LYS 20 - HE2 LYS 17 far 0 98 0 - 8.9-10.8 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 0 61 0 - 5.9-8.4 HG2 LYS 20 - HE2 LYS 17 far 0 90 0 - 7.3-8.8 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 HE3 LYS 16 - HE2 LYS 17 far 0 92 0 - 4.7-10.0 HE2 LYS 16 - HE2 LYS 17 far 0 92 0 - 5.3-10.1 HE3 LYS 115 - HE2 LYS 17 far 0 94 0 - 8.6-15.5 HE2 LYS 115 - HE2 LYS 17 far 0 94 0 - 8.6-15.7 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (3.99, 2.90, 41.78 ppm; 6.20 A): 6 out of 14 assignments used, quality = 1.00: * HA LYS 17 + HE3 LYS 17 OK 100 100 100 100 4.0-4.4 3.0/2893=100...(17) HA LEU 14 + HE3 LYS 17 OK 97 97 100 100 4.7-5.3 2861/2.9=99, 2871/2.9=96...(9) HA GLU 111 + HE3 LYS 17 OK 94 99 100 94 4.1-5.3 11422/11218=92, 2881/1.8=26 HA GLU 112 + HE2 LYS 115 OK 71 84 85 100 2.1-6.5 11463/3.0=97...(6) HA GLU 112 + HE3 LYS 115 OK 63 84 75 100 2.0-6.6 11463/3.0=97...(6) HA LYS 17 + HE3 LYS 16 OK 33 83 45 88 4.7-7.4 ~7371=39, ~7370=39...(9) HA LEU 14 - HE3 LYS 16 poor 19 77 25 - 5.4-8.5 HA LYS 17 - HE2 LYS 16 poor 17 83 20 - 4.5-7.6 HA LEU 14 - HE2 LYS 16 far 8 77 10 - 5.4-8.8 HA GLU 111 - HE3 LYS 115 lone 0 85 30 2 4.7-10.3 HA GLU 111 - HE2 LYS 115 lone 0 85 30 2 4.8-10.4 HA GLU 112 - HE3 LYS 17 far 0 99 0 - 8.7-9.8 HA GLU 111 - HE3 LYS 16 far 0 81 0 - 9.3-13.9 HA GLU 111 - HE2 LYS 16 far 0 81 0 - 9.5-14.2 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 2.2-2.6 1.8/2893=81, 3.0/2895=67...(14) HB2 LYS 17 - HE3 LYS 16 far 0 83 0 - 5.3-8.6 HB2 LYS 17 - HE2 LYS 16 far 0 83 0 - 5.7-9.0 HB2 LYS 17 - HE3 LYS 115 far 0 87 0 - 9.7-14.9 HB2 LYS 17 - HE2 LYS 115 far 0 87 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (1.92, 2.90, 41.78 ppm; 3.54 A increased from 3.34 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LYS 17 + HE3 LYS 17 OK 100 100 100 100 3.2-3.6 1.8/2892=65, 2863/2.9=63...(14) HB3 LYS 115 - HE3 LYS 115 poor 14 70 20 - 2.3-5.0 HB2 LYS 115 - HE3 LYS 115 far 12 83 15 - 2.0-5.1 HB2 LYS 115 - HE2 LYS 115 far 12 83 15 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 3 70 5 - 3.1-5.0 HB3 LYS 17 - HE3 LYS 16 far 0 83 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 83 0 - 4.9-7.9 HB ILE 15 - HE3 LYS 16 far 0 77 0 - 5.0-7.5 HB ILE 15 - HE2 LYS 16 far 0 77 0 - 5.4-8.3 HB2 LYS 115 - HE3 LYS 17 far 0 98 0 - 9.3-11.2 HB ILE 15 - HE3 LYS 17 far 0 97 0 - 9.4-9.9 HB3 LYS 115 - HE3 LYS 17 far 0 87 0 - 9.6-11.6 Violated in 3 structures by 0.00 A. Peak 2894 from cnoeabs.peaks (1.75, 2.90, 41.78 ppm; 3.64 A): 1 out of 11 assignments used, quality = 1.00: * HG2 LYS 17 + HE3 LYS 17 OK 100 100 100 100 3.5-3.6 3.8=91, 1.8/2895=82...(12) HG2 LYS 17 - HE3 LYS 16 poor 9 83 35 29 2.3-6.2 2846/3.0=12, 2849=7...(6) HG2 LYS 17 - HE2 LYS 16 far 8 83 10 - 2.7-6.3 HB2 LEU 114 - HE3 LYS 115 far 0 44 0 - 4.7-9.1 HB2 LEU 114 - HE2 LYS 115 far 0 44 0 - 4.8-9.2 HB2 LEU 114 - HE3 LYS 17 far 0 57 0 - 5.2-6.2 HG12 ILE 18 - HE3 LYS 17 far 0 92 0 - 5.3-6.1 HG12 ILE 18 - HE3 LYS 16 far 0 71 0 - 7.8-10.0 HG12 ILE 18 - HE2 LYS 16 far 0 71 0 - 7.8-10.7 HG3 ARG 105 - HE2 LYS 115 far 0 86 0 - 8.9-15.0 HG3 ARG 105 - HE3 LYS 115 far 0 86 0 - 9.3-14.8 Violated in 2 structures by 0.00 A. Peak 2895 from cnoeabs.peaks (1.43, 2.90, 41.78 ppm; 3.27 A): 1 out of 8 assignments used, quality = 0.99: * HG3 LYS 17 + HE3 LYS 17 OK 99 100 100 99 2.3-2.6 3.8=66, 1.8/2894=55...(12) HG3 LYS 17 - HE3 LYS 16 far 0 83 0 - 3.5-7.5 HG3 LYS 17 - HE2 LYS 16 far 0 83 0 - 4.1-7.7 QB ALA 113 - HE3 LYS 17 far 0 61 0 - 5.7-6.7 QB ALA 113 - HE3 LYS 115 far 0 47 0 - 6.6-10.0 QB ALA 113 - HE2 LYS 115 far 0 47 0 - 6.7-9.6 QB ALA 113 - HE3 LYS 16 far 0 44 0 - 8.5-11.6 QB ALA 113 - HE2 LYS 16 far 0 44 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (1.68, 2.90, 41.78 ppm; 2.73 A increased from 2.57 A): 5 out of 15 assignments used, quality = 0.98: * HD2 LYS 17 + HE3 LYS 17 OK 87 100 90 96 2.6-3.0 2.9=80, 3.0/2895=35...(9) HD2 LYS 16 + HE2 LYS 16 OK 47 80 65 91 2.2-3.0 3.0=76, ~2805=12...(12) HD3 LYS 16 + HE2 LYS 16 OK 41 75 60 91 2.3-3.0 3.0=76, 2785/3.7=25...(11) HD3 LYS 16 + HE3 LYS 16 OK 40 75 60 90 2.3-3.0 3.0=76, 2785/3.7=25...(11) HD2 LYS 16 + HE3 LYS 16 OK 29 80 40 90 2.3-3.0 3.0=76, 2.9/2805=15...(12) HD2 LYS 17 - HE3 LYS 16 far 0 83 0 - 4.3-8.1 HD2 LYS 17 - HE2 LYS 16 far 0 83 0 - 4.3-8.4 HD3 LYS 16 - HE3 LYS 17 far 0 96 0 - 5.2-8.6 HD3 LYS 20 - HE2 LYS 16 far 0 78 0 - 5.9-12.8 HD3 LYS 20 - HE3 LYS 16 far 0 78 0 - 6.2-12.8 HD2 LYS 16 - HE3 LYS 17 far 0 99 0 - 6.2-9.0 HD2 LYS 20 - HE3 LYS 17 far 0 97 0 - 7.0-10.0 HD2 LYS 20 - HE2 LYS 16 far 0 77 0 - 7.5-12.5 HD2 LYS 20 - HE3 LYS 16 far 0 77 0 - 7.6-12.4 HD3 LYS 20 - HE3 LYS 17 far 0 98 0 - 8.4-9.5 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 9 assignments used, quality = 1.00: * HD3 LYS 17 + HE3 LYS 17 OK 100 100 100 100 2.6-3.0 2.9=100 HD3 LYS 17 - HE3 LYS 16 far 12 83 15 - 3.1-8.1 HD3 LYS 17 - HE2 LYS 16 far 4 83 5 - 3.3-7.8 HG2 LYS 20 - HE2 LYS 16 far 0 68 0 - 5.8-10.7 HG2 LYS 20 - HE3 LYS 17 far 0 90 0 - 6.2-7.4 HG2 LYS 20 - HE3 LYS 16 far 0 68 0 - 6.5-10.5 HB3 LEU 14 - HE2 LYS 16 far 0 44 0 - 7.0-10.0 HB3 LEU 14 - HE3 LYS 16 far 0 44 0 - 7.0-9.5 HB3 LEU 14 - HE3 LYS 17 far 0 61 0 - 7.4-8.2 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 - HE3 LYS 16 far 0 83 0 - 4.7-10.0 HE2 LYS 17 - HE2 LYS 16 far 0 83 0 - 5.3-10.1 HE2 LYS 17 - HE3 LYS 115 far 0 87 0 - 8.6-15.5 HE2 LYS 17 - HE2 LYS 115 far 0 87 0 - 8.6-15.7 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 3.0-3.0 3.0=100 HB3 LYS 19 - HA ILE 18 far 0 84 0 - 5.5-5.5 QE MET 121 - HA ILE 18 far 0 94 0 - 5.6-6.9 HB2 LEU 14 - HA ILE 18 far 0 100 0 - 6.2-6.5 HG12 ILE 5 - HA ILE 18 far 0 81 0 - 9.3-10.0 HB ILE 57 - HA ILE 18 far 0 100 0 - 9.6-10.1 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 2.4-2.5 3.2=98, 2920/2906=41...(22) HG13 ILE 18 + HA ILE 18 OK 89 90 100 99 2.4-2.5 3.8=58, 2.1/2906=48...(21) QG1 VAL 117 - HA ILE 18 far 0 100 0 - 4.5-5.2 QD1 ILE 57 - HA ILE 18 far 0 90 0 - 5.6-6.1 QD2 LEU 55 - HA ILE 18 far 0 65 0 - 6.1-6.5 QD2 LEU 81 - HA ILE 18 far 0 87 0 - 6.7-7.0 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 2.8-2.9 3.8=100 HG2 LYS 17 - HA ILE 18 far 0 92 0 - 6.5-6.6 HB2 LEU 55 - HA ILE 18 far 0 99 0 - 8.8-9.3 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 2.4-2.5 3.8=58, 2.1/2906=48...(21) QG2 ILE 18 + HA ILE 18 OK 89 90 100 100 2.4-2.5 3.2=98, 2.9/2906=40...(23) QG1 VAL 117 - HA ILE 18 far 0 96 0 - 4.5-5.2 QD2 LEU 55 - HA ILE 18 far 0 97 0 - 6.1-6.5 QG2 ILE 7 - HA ILE 18 far 0 77 0 - 6.3-6.6 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 3.8-3.8 2936=89, 2920/3.2=72...(18) QD1 ILE 5 - HA ILE 18 far 0 90 0 - 9.5-10.1 Violated in 1 structures by 0.00 A. Peak 2907 from cnoeabs.peaks (8.79, 1.82, 37.56 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HB ILE 18 OK 100 100 100 100 2.4-2.5 1124=100, 1126/2923=68...(11) 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 3.0-3.0 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): 2 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 far 0 90 0 - 3.4-3.9 QD2 LEU 55 - HB ILE 18 far 0 65 0 - 4.7-5.0 QG1 VAL 117 - HB ILE 18 far 0 100 0 - 4.8-5.7 QD2 LEU 81 - HB ILE 18 far 0 87 0 - 6.0-6.5 QD1 LEU 6 - HB ILE 18 far 0 100 0 - 9.3-9.7 QD2 LEU 6 - HB ILE 18 far 0 70 0 - 9.5-10.1 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 2.4-2.5 2.9=100 HG2 LYS 17 - HB ILE 18 far 0 92 0 - 6.5-7.0 HB2 LEU 55 - HB ILE 18 far 0 99 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (0.73, 1.82, 37.56 ppm; 3.14 A): 2 out of 7 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 far 0 77 0 - 4.5-5.0 QD2 LEU 55 - HB ILE 18 far 0 97 0 - 4.7-5.0 QG1 VAL 117 - HB ILE 18 far 0 96 0 - 4.8-5.7 QD1 LEU 6 - HB ILE 18 far 0 81 0 - 9.3-9.7 QD2 LEU 6 - HB ILE 18 far 0 98 0 - 9.5-10.1 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 2.3-2.4 3.2=100 QD1 ILE 5 - HB ILE 18 far 0 90 0 - 9.3-9.8 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 3 assignments used, quality = 1.00: * H ILE 18 + QG2 ILE 18 OK 100 100 100 100 3.7-3.8 4.0=100 H ILE 5 - QG2 ILE 18 far 0 57 0 - 7.3-7.8 H VAL 29 - QG2 ILE 18 far 0 94 0 - 8.3-8.9 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 2.4-2.5 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): 1 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 QE MET 121 - QG2 ILE 18 far 0 94 0 - 4.1-5.3 HB3 LYS 19 - QG2 ILE 18 far 0 84 0 - 4.9-5.2 HB2 LEU 14 - QG2 ILE 18 far 0 100 0 - 5.0-5.5 HG12 ILE 5 - QG2 ILE 18 far 0 81 0 - 5.8-6.2 HB ILE 57 - QG2 ILE 18 far 0 100 0 - 6.0-6.8 HB3 ARG 105 - QG2 ILE 18 far 0 99 0 - 9.3-10.1 HG2 ARG 105 - QG2 ILE 18 far 0 73 0 - 9.8-11.1 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 4 assignments used, quality = 1.00: * HG12 ILE 18 + QG2 ILE 18 OK 100 100 100 100 3.2-3.2 3.2=100 HB2 LEU 55 - QG2 ILE 18 far 0 99 0 - 5.3-5.7 HG2 LYS 17 - QG2 ILE 18 far 0 92 0 - 7.2-7.4 HB3 GLN 28 - QG2 ILE 18 far 0 65 0 - 9.3-9.9 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 2.0-2.1 2.9=89, 2906/3.2=28...(15) QD1 ILE 5 - QG2 ILE 18 far 0 90 0 - 6.2-6.6 QG1 VAL 78 - QG2 ILE 18 far 0 100 0 - 8.4-8.9 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 2.1-2.5 1126=100, 1124/2923=87...(14) 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 2.8-2.9 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): 1 out of 5 assignments used, quality = 0.99: * HB ILE 18 + HG12 ILE 18 OK 99 100 100 99 2.4-2.5 2.9=93, 1124/1126=36...(12) HB2 LEU 14 - HG12 ILE 18 far 0 100 0 - 3.4-3.8 HB3 LYS 19 - HG12 ILE 18 far 0 84 0 - 6.4-6.6 QE MET 121 - HG12 ILE 18 far 0 94 0 - 7.3-8.7 HB ILE 57 - HG12 ILE 18 far 0 100 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 2924 from cnoeabs.peaks (0.72, 1.76, 29.49 ppm; 3.33 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 18 + HG12 ILE 18 OK 100 100 100 100 3.2-3.2 3.2=100 HG13 ILE 18 + HG12 ILE 18 OK 90 90 100 100 1.8-1.8 1.8=100 QG1 VAL 117 - HG12 ILE 18 far 0 100 0 - 5.3-6.0 QD1 ILE 57 - HG12 ILE 18 far 0 90 0 - 5.3-6.0 QD2 LEU 81 - HG12 ILE 18 far 0 87 0 - 5.5-5.8 QD2 LEU 55 - HG12 ILE 18 far 0 65 0 - 6.4-6.8 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): 2 out of 5 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 3.2-3.2 3.2=100 QG2 ILE 7 - HG12 ILE 18 far 0 77 0 - 4.8-5.0 QG1 VAL 117 - HG12 ILE 18 far 0 96 0 - 5.3-6.0 QD2 LEU 55 - HG12 ILE 18 far 0 97 0 - 6.4-6.8 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 - 9.9-10.4 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 1 assignment used, quality = 1.00: * H ILE 18 + HG13 ILE 18 OK 100 100 100 100 3.4-3.8 4.6=100 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 2.4-2.5 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): 1 out of 6 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 far 0 100 0 - 4.8-5.1 QE MET 121 - HG13 ILE 18 far 0 94 0 - 5.9-7.4 HB3 LYS 19 - HG13 ILE 18 far 0 84 0 - 7.2-7.3 HG12 ILE 5 - HG13 ILE 18 far 0 81 0 - 8.7-9.4 HB ILE 57 - HG13 ILE 18 far 0 100 0 - 9.3-10.1 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 0 92 0 - 7.2-7.4 HB2 LEU 55 - HG13 ILE 18 far 0 99 0 - 9.3-9.8 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 - 8.7-9.3 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 5 assignments used, quality = 1.00: * H ILE 18 + QD1 ILE 18 OK 100 100 100 100 3.6-3.7 1128=100, 1126/2.1=82...(14) H ILE 5 + QD1 ILE 5 OK 26 38 95 72 3.3-4.0 5.0=43, 4.0/2422=26...(5) H ILE 54 - QD1 ILE 5 far 0 41 0 - 6.2-7.0 H ILE 5 - QD1 ILE 18 far 0 57 0 - 8.6-9.2 H ASN 59 - QD1 ILE 18 far 0 94 0 - 9.1-10.0 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 3.8-3.8 2906=100, 3.2/2920=77...(18) HA ILE 18 - QD1 ILE 5 far 0 78 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 2937 from cnoeabs.peaks (1.82, 0.61, 13.41 ppm; 2.92 A): 3 out of 14 assignments used, quality = 1.00: * HB ILE 18 + QD1 ILE 18 OK 99 100 100 99 2.3-2.4 3.2=74, 2.1/2920=64...(13) HB2 LEU 14 + QD1 ILE 18 OK 82 100 100 82 2.5-2.7 3.1/11652=37...(7) HG12 ILE 5 + QD1 ILE 5 OK 56 56 100 100 2.1-2.1 2.1=100 HB ILE 3 - QD1 ILE 5 far 0 53 0 - 4.5-5.6 QE MET 121 - QD1 ILE 5 far 0 69 0 - 4.9-5.8 QE MET 121 - QD1 ILE 18 far 0 94 0 - 5.8-7.1 HB ILE 57 - QD1 ILE 18 far 0 100 0 - 6.3-7.1 HB3 LYS 19 - QD1 ILE 18 far 0 84 0 - 6.4-6.6 HG12 ILE 5 - QD1 ILE 18 far 0 81 0 - 7.2-7.7 HG2 ARG 105 - QD1 ILE 5 far 0 50 0 - 7.6-9.3 HB3 ARG 105 - QD1 ILE 5 far 0 75 0 - 7.6-8.2 HB3 ARG 105 - QD1 ILE 18 far 0 99 0 - 8.1-8.7 HG2 ARG 105 - QD1 ILE 18 far 0 73 0 - 8.4-10.0 HB ILE 18 - QD1 ILE 5 far 0 78 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (0.72, 0.61, 13.41 ppm; 2.40 A): 2 out of 18 assignments used, quality = 0.99: * QG2 ILE 18 + QD1 ILE 18 OK 90 100 100 90 2.0-2.1 2920=65, 3.2/2906=20...(13) HG13 ILE 18 + QD1 ILE 18 OK 90 90 100 100 2.1-2.1 2.1=100 QD2 LEU 81 - QD1 ILE 18 far 0 87 0 - 3.0-3.4 QG1 VAL 117 - QD1 ILE 18 far 0 100 0 - 3.5-4.1 QG1 VAL 117 - QD1 ILE 5 far 0 77 0 - 3.6-4.2 QD1 ILE 57 - QD1 ILE 18 far 0 90 0 - 3.7-4.6 QG2 VAL 78 - QD1 ILE 5 far 0 72 0 - 4.2-4.8 QD2 LEU 55 - QD1 ILE 18 far 0 65 0 - 4.3-4.9 QD2 LEU 55 - QD1 ILE 5 far 0 44 0 - 5.3-5.7 QD2 LEU 81 - QD1 ILE 5 far 0 62 0 - 5.4-6.0 QD2 LEU 6 - QD1 ILE 5 far 0 47 0 - 6.0-6.3 QG2 ILE 18 - QD1 ILE 5 far 0 78 0 - 6.2-6.6 QD1 LEU 6 - QD1 ILE 5 far 0 77 0 - 6.5-6.7 QD1 LEU 6 - QD1 ILE 18 far 0 100 0 - 6.8-7.1 QD2 LEU 6 - QD1 ILE 18 far 0 70 0 - 7.5-8.1 QD1 ILE 57 - QD1 ILE 5 far 0 64 0 - 7.6-8.2 QD2 LEU 45 - QD1 ILE 5 far 0 72 0 - 8.5-9.5 HG13 ILE 18 - QD1 ILE 5 far 0 64 0 - 8.7-9.3 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 10 assignments used, quality = 1.00: * HG12 ILE 18 + QD1 ILE 18 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 123 - QD1 ILE 5 far 0 47 0 - 6.1-7.7 HG2 LYS 17 - QD1 ILE 18 far 0 92 0 - 6.5-6.8 HB2 LEU 80 - QD1 ILE 5 far 0 62 0 - 6.8-7.4 HB2 LEU 55 - QD1 ILE 5 far 0 76 0 - 6.8-7.2 HB2 LEU 55 - QD1 ILE 18 far 0 99 0 - 7.4-8.0 HG3 ARG 105 - QD1 ILE 18 far 0 84 0 - 8.5-10.9 HG3 ARG 105 - QD1 ILE 5 far 0 59 0 - 8.5-10.3 HB3 GLN 28 - QD1 ILE 5 far 0 44 0 - 9.2-10.6 HG12 ILE 18 - QD1 ILE 5 far 0 78 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (0.73, 0.61, 13.41 ppm; 2.40 A): 3 out of 18 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 2.0-2.1 2.9=57, 3.2/2906=20...(13) QG2 ILE 7 + QD1 ILE 18 OK 41 77 90 59 2.3-2.6 11582=25, 3.3/11581=24...(5) QG1 VAL 117 - QD1 ILE 18 far 0 96 0 - 3.5-4.1 QG1 VAL 117 - QD1 ILE 5 far 0 71 0 - 3.6-4.2 QG2 VAL 78 - QD1 ILE 5 far 0 76 0 - 4.2-4.8 QD2 LEU 55 - QD1 ILE 18 far 0 97 0 - 4.3-4.9 QD2 LEU 55 - QD1 ILE 5 far 0 72 0 - 5.3-5.7 QD2 LEU 6 - QD1 ILE 5 far 0 74 0 - 6.0-6.3 QG2 ILE 18 - QD1 ILE 5 far 0 64 0 - 6.2-6.6 QG2 ILE 7 - QD1 ILE 5 far 0 53 0 - 6.3-6.7 QD1 LEU 6 - QD1 ILE 5 far 0 56 0 - 6.5-6.7 QD1 LEU 6 - QD1 ILE 18 far 0 81 0 - 6.8-7.1 QG2 ILE 54 - QD1 ILE 5 far 0 47 0 - 7.1-7.6 QD2 LEU 6 - QD1 ILE 18 far 0 98 0 - 7.5-8.1 QD2 LEU 45 - QD1 ILE 5 far 0 76 0 - 8.5-9.5 HG13 ILE 18 - QD1 ILE 5 far 0 78 0 - 8.7-9.3 QG2 ILE 54 - QD1 ILE 18 far 0 70 0 - 9.7-10.3 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 - 8.2-9.1 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 2.7-2.8 3.0=100 HB3 GLN 28 - HA LYS 19 far 0 99 0 - 9.0-10.0 HG12 ILE 5 - HA LYS 19 far 0 61 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (1.83, 3.68, 60.85 ppm; 3.74 A): 1 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 far 0 84 0 - 4.3-4.4 HB ILE 57 - HA LYS 19 far 0 90 0 - 6.6-7.6 QE MET 121 - HA LYS 19 far 0 99 0 - 6.7-7.9 HB2 LEU 14 - HA LYS 19 far 0 90 0 - 8.6-9.0 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 2.1-2.8 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): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.4-3.4 3.8=100 HD3 LYS 19 - HA LYS 19 far 5 100 5 - 3.1-4.7 HD2 LYS 19 - HA LYS 19 far 5 100 5 - 3.8-4.7 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (1.59, 3.68, 60.85 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.4-3.4 3.8=100 HD3 LYS 19 - HA LYS 19 far 5 100 5 - 3.1-4.7 ! HD2 LYS 19 - HA LYS 19 far 5 100 5 - 3.8-4.7 Violated in 0 structures by 0.00 A. Peak 2949 from cnoeabs.peaks (1.59, 3.68, 60.85 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.4-3.4 3.8=100 ! HD3 LYS 19 - HA LYS 19 far 5 100 5 - 3.1-4.7 HD2 LYS 19 - HA LYS 19 far 5 100 5 - 3.8-4.7 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: * HE2 LYS 19 + HA LYS 19 OK 95 100 95 100 4.3-5.9 6.3=77, 3024/3.0=45...(25) HE3 LYS 19 + HA LYS 19 OK 95 100 95 100 4.6-5.9 6.3=77, 3.0/3003=44...(26) 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 3.4-3.5 4.0=100 H ILE 57 - HB2 LYS 19 far 0 94 0 - 9.4-10.5 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 2.7-2.8 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 - 6.0-6.2 HB ILE 57 - HB2 LYS 19 far 0 90 0 - 7.5-8.7 QE MET 121 - HB2 LYS 19 far 0 99 0 - 8.7-9.7 HB2 LEU 14 - HB2 LYS 19 far 0 90 0 - 9.8-10.2 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 HD2 LYS 19 + HB2 LYS 19 OK 64 100 65 98 2.9-3.9 3.6=84, 2967/1.8=23...(24) HD3 LYS 19 + HB2 LYS 19 OK 54 100 55 99 2.1-3.9 3.6=84, 2968/1.8=20...(24) 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 * HD2 LYS 19 + HB2 LYS 19 OK 64 100 65 98 2.9-3.9 3.6=84, 2968/1.8=23...(24) HD3 LYS 19 + HB2 LYS 19 OK 54 100 55 99 2.1-3.9 3.6=84, 2968/1.8=20...(25) 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 HD2 LYS 19 + HB2 LYS 19 OK 64 100 65 98 2.9-3.9 3.6=84, 2968/1.8=23...(24) * HD3 LYS 19 + HB2 LYS 19 OK 54 100 55 99 2.1-3.9 3.6=84, 2968/1.8=20...(25) 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 2.0-5.1 5.0=100 * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.4-4.9 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 2.1-2.2 4.0=100 H ILE 57 - HB3 LYS 19 far 0 94 0 - 9.5-10.5 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 - 5.2-6.1 HB ILE 3 - HB2 LYS 77 far 0 46 0 - 6.2-7.8 HG12 ILE 5 - HB2 LYS 77 far 0 43 0 - 8.6-11.3 HG12 ILE 5 - HB3 LYS 77 far 0 47 0 - 9.2-9.7 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 3.0-3.0 3.0=100 HG2 LYS 53 - HB3 LYS 77 far 0 73 0 - 7.4-11.5 HG2 LYS 53 - HB2 LYS 77 far 0 66 0 - 8.8-13.2 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 HD2 LYS 19 + HB3 LYS 19 OK 67 100 70 96 2.1-3.9 3.6=72, 2957/1.8=19...(24) HD3 LYS 19 + HB3 LYS 19 OK 58 100 60 96 2.3-3.7 3.6=72, 2957/1.8=16...(24) HB3 LEU 127 - HB3 LYS 77 far 0 54 0 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 49 0 - 3.9-5.5 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 * HD2 LYS 19 + HB3 LYS 19 OK 67 100 70 96 2.1-3.9 3.6=72, 2958/1.8=19...(24) HD3 LYS 19 + HB3 LYS 19 OK 58 100 60 97 2.3-3.7 3.6=72, 2959/1.8=16...(25) HB3 LEU 127 - HB3 LYS 77 far 0 47 0 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 43 0 - 3.9-5.5 HG2 LYS 123 - HB2 LYS 77 far 0 43 0 - 9.0-11.9 HG2 LYS 123 - HB3 LYS 77 far 0 47 0 - 9.4-11.3 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 HD2 LYS 19 + HB3 LYS 19 OK 67 100 70 96 2.1-3.9 3.6=72, 2958/1.8=19...(24) * HD3 LYS 19 + HB3 LYS 19 OK 58 100 60 97 2.3-3.7 3.6=72, 2959/1.8=16...(25) HB3 LEU 127 - HB3 LYS 77 far 0 47 0 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 43 0 - 3.9-5.5 HG2 LYS 123 - HB2 LYS 77 far 0 43 0 - 9.0-11.9 HG2 LYS 123 - HB3 LYS 77 far 0 47 0 - 9.4-11.3 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 3.6-4.2 5.0=100 H ILE 57 - HG2 LYS 19 far 0 94 0 - 7.1-8.1 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 2.1-2.8 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 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (1.83, 1.10, 27.09 ppm; 4.29 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 18 - HG2 LYS 19 far 0 84 0 - 5.2-6.0 HB ILE 57 - HG2 LYS 19 far 0 90 0 - 5.3-6.5 QE MET 121 - HG2 LYS 19 far 0 99 0 - 8.7-9.8 HB2 LEU 14 - HG2 LYS 19 far 0 90 0 - 8.9-9.7 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 HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 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: HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 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: * HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 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 2.2-4.1 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.9 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 2.2-4.1 4.0=100 * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.9 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 2.8-4.3 1134=100, 1133/1.8=88...(14) 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 2.4-3.4 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 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2985 from cnoeabs.peaks (1.83, 1.60, 27.09 ppm; 3.61 A): 1 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 far 0 84 0 - 4.2-6.5 HB ILE 57 - HG3 LYS 19 far 0 90 0 - 4.8-6.9 HB2 LEU 14 - HG3 LYS 19 far 0 90 0 - 7.6-10.2 QE MET 121 - HG3 LYS 19 far 0 99 0 - 8.8-10.2 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 2.1-4.2 4.0=100 * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 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 2.1-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 2992 from cnoeabs.peaks (8.53, 1.59, 29.87 ppm; 4.85 A increased from 4.57 A): 2 out of 4 assignments used, quality = 0.98: H LYS 19 + HD3 LYS 19 OK 90 100 90 100 3.1-5.0 1134/3.0=89, 1131/3.6=78...(13) * H LYS 19 + HD2 LYS 19 OK 85 100 85 100 2.9-5.3 1134/3.0=89, 1131/3.6=78...(13) H ILE 57 - HD2 LYS 19 far 0 94 0 - 7.0-9.4 H ILE 57 - HD3 LYS 19 far 0 94 0 - 7.0-9.7 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 3.1-4.7 5.4=64, ~1134=43...(26) * HA LYS 19 + HD2 LYS 19 OK 100 100 100 100 3.8-4.7 5.4=64, ~1134=43...(26) Violated in 0 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (1.79, 1.59, 29.87 ppm; 3.84 A increased from 3.41 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-3.9 3.6=100 HB2 LYS 19 + HD3 LYS 19 OK 95 100 95 100 2.1-3.9 3.6=100 HB3 GLN 28 - HD2 LYS 19 far 0 99 0 - 9.0-12.8 HB3 GLN 28 - HD3 LYS 19 far 0 99 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (1.83, 1.59, 29.87 ppm; 3.75 A increased from 3.53 A): 2 out of 9 assignments used, quality = 1.00: HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.7 3.6=100 * HB3 LYS 19 + HD2 LYS 19 OK 95 100 95 100 2.1-3.9 3.6=100 HB ILE 18 - HD3 LYS 19 far 0 84 0 - 4.0-7.3 HB ILE 57 - HD2 LYS 19 far 0 90 0 - 4.5-7.2 HB ILE 57 - HD3 LYS 19 far 0 90 0 - 4.6-7.9 HB ILE 18 - HD2 LYS 19 far 0 84 0 - 4.7-7.1 HB2 LEU 14 - HD3 LYS 19 far 0 90 0 - 7.6-10.7 HB2 LEU 14 - HD2 LYS 19 far 0 90 0 - 7.7-10.2 QE MET 121 - HD3 LYS 19 far 0 99 0 - 9.2-11.7 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 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 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 4 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD3 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 2.3-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 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 4 assignments used, quality = 1.00: * HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD3 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 2.3-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3002 from cnoeabs.peaks (8.53, 1.59, 29.87 ppm; 4.85 A increased from 4.57 A): 2 out of 4 assignments used, quality = 0.98: * H LYS 19 + HD3 LYS 19 OK 90 100 90 100 3.1-5.0 1134/3.0=89, 1131/3.6=78...(13) H LYS 19 + HD2 LYS 19 OK 85 100 85 100 2.9-5.3 1134/3.0=89, 1131/3.6=78...(13) H ILE 57 - HD2 LYS 19 far 0 94 0 - 7.0-9.4 H ILE 57 - HD3 LYS 19 far 0 94 0 - 7.0-9.7 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 3.1-4.7 5.4=64, ~1134=43...(26) HA LYS 19 + HD2 LYS 19 OK 100 100 100 100 3.8-4.7 5.4=64, ~1134=43...(26) Violated in 0 structures by 0.00 A. Peak 3004 from cnoeabs.peaks (1.79, 1.59, 29.87 ppm; 3.84 A increased from 3.41 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.9-3.9 3.6=100 * HB2 LYS 19 + HD3 LYS 19 OK 95 100 95 100 2.1-3.9 3.6=100 HB3 GLN 28 - HD2 LYS 19 far 0 99 0 - 9.0-12.8 HB3 GLN 28 - HD3 LYS 19 far 0 99 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3005 from cnoeabs.peaks (1.83, 1.59, 29.87 ppm; 3.75 A increased from 3.53 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.7 3.6=100 HB3 LYS 19 + HD2 LYS 19 OK 95 100 95 100 2.1-3.9 3.6=100 HB ILE 18 - HD3 LYS 19 far 0 84 0 - 4.0-7.3 HB ILE 57 - HD2 LYS 19 far 0 90 0 - 4.5-7.2 HB ILE 57 - HD3 LYS 19 far 0 90 0 - 4.6-7.9 HB ILE 18 - HD2 LYS 19 far 0 84 0 - 4.7-7.1 HB2 LEU 14 - HD3 LYS 19 far 0 90 0 - 7.6-10.7 HB2 LEU 14 - HD2 LYS 19 far 0 90 0 - 7.7-10.2 QE MET 121 - HD3 LYS 19 far 0 99 0 - 9.2-11.7 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 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 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 4 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 19 + HD3 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 2.3-3.0 3.0=100 * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 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 4 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 19 + HD3 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 2.3-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (8.53, 2.70, 41.78 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 19 + HE2 LYS 19 OK 100 100 100 100 4.1-6.0 1134/4.0=96, 1133/4.0=88...(13) H LYS 19 + HE3 LYS 19 OK 100 100 100 100 4.4-6.3 1134/4.0=96, 1133/4.0=88...(13) H ILE 57 - HE3 LYS 19 far 0 94 0 - 6.4-9.9 H ILE 57 - HE2 LYS 19 far 0 94 0 - 6.9-10.8 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 8 assignments used, quality = 0.99: * HB2 LYS 19 + HE2 LYS 19 OK 95 100 95 100 2.0-5.1 5.0=80, 1.8/3015=38...(26) HB2 LYS 19 + HE3 LYS 19 OK 90 100 90 100 2.4-4.9 5.0=80, 1.8/3015=38...(21) HB2 LEU 64 - HE2 LYS 61 far 0 68 0 - 6.9-10.7 HB2 LEU 90 - HE2 LYS 61 far 0 53 0 - 7.8-14.5 HB3 GLN 28 - HE2 LYS 19 far 0 99 0 - 8.6-13.0 HB3 GLN 28 - HE3 LYS 19 far 0 99 0 - 8.9-12.6 HB VAL 32 - HE3 LYS 19 far 0 87 0 - 9.4-13.4 HB VAL 32 - HE2 LYS 19 far 0 87 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.83, 2.70, 41.78 ppm; 4.71 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.7 5.0=85, 1.8/3024=42...(26) HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.7 5.0=85, 1.8/3024=39...(21) HB ILE 57 - HE3 LYS 19 poor 18 90 20 - 4.3-7.9 HB ILE 57 - HE2 LYS 19 far 4 90 5 - 4.8-8.5 HB ILE 18 - HE2 LYS 19 far 0 84 0 - 5.7-8.0 HB ILE 18 - HE3 LYS 19 far 0 84 0 - 6.1-8.4 HB2 LEU 14 - HE2 LYS 19 far 0 90 0 - 8.2-11.2 HB2 LEU 14 - HE3 LYS 19 far 0 90 0 - 8.6-11.4 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 + HE3 LYS 19 OK 93 100 95 98 2.4-3.9 4.0=83, 3.0/3024=21...(17) * HG2 LYS 19 + HE2 LYS 19 OK 88 100 90 98 2.2-4.1 4.0=83, 3.0/3014=22...(22) 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): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 33 100 35 94 2.1-4.2 4.0=56, 1.8/3026=21...(21) ! HG3 LYS 19 - HE2 LYS 19 far 15 100 15 - 2.2-4.2 HG LEU 82 - HE2 LYS 61 far 0 68 0 - 6.8-12.9 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 33 100 35 94 2.1-4.2 4.0=56, 1.8/3016=21...(22) HG3 LYS 19 - HE2 LYS 19 far 15 100 15 - 2.2-4.2 HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.8-12.9 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 33 100 35 94 2.1-4.2 4.0=56, 1.8/3016=21...(22) HG3 LYS 19 - HE2 LYS 19 far 15 100 15 - 2.2-4.2 HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.8-12.9 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): 2 out of 4 assignments used, quality = 1.00: H LYS 19 + HE2 LYS 19 OK 100 100 100 100 4.1-6.0 1134/4.0=96, 1133/4.0=88...(13) * H LYS 19 + HE3 LYS 19 OK 100 100 100 100 4.4-6.3 1134/4.0=96, 1133/4.0=88...(13) H ILE 57 - HE3 LYS 19 far 0 94 0 - 6.4-9.9 H ILE 57 - HE2 LYS 19 far 0 94 0 - 6.9-10.8 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 8 assignments used, quality = 0.99: HB2 LYS 19 + HE2 LYS 19 OK 95 100 95 100 2.0-5.1 5.0=80, 1.8/3015=38...(26) * HB2 LYS 19 + HE3 LYS 19 OK 90 100 90 100 2.4-4.9 5.0=80, 1.8/3015=38...(21) HB2 LEU 64 - HE2 LYS 61 far 0 68 0 - 6.9-10.7 HB2 LEU 90 - HE2 LYS 61 far 0 53 0 - 7.8-14.5 HB3 GLN 28 - HE2 LYS 19 far 0 99 0 - 8.6-13.0 HB3 GLN 28 - HE3 LYS 19 far 0 99 0 - 8.9-12.6 HB VAL 32 - HE3 LYS 19 far 0 87 0 - 9.4-13.4 HB VAL 32 - HE2 LYS 19 far 0 87 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.83, 2.70, 41.78 ppm; 4.71 A): 2 out of 8 assignments used, quality = 1.00: HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.7 5.0=85, 1.8/3024=42...(26) * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.7 5.0=85, 1.8/3024=39...(21) HB ILE 57 - HE3 LYS 19 poor 18 90 20 - 4.3-7.9 HB ILE 57 - HE2 LYS 19 far 4 90 5 - 4.8-8.5 HB ILE 18 - HE2 LYS 19 far 0 84 0 - 5.7-8.0 HB ILE 18 - HE3 LYS 19 far 0 84 0 - 6.1-8.4 HB2 LEU 14 - HE2 LYS 19 far 0 90 0 - 8.2-11.2 HB2 LEU 14 - HE3 LYS 19 far 0 90 0 - 8.6-11.4 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 + HE3 LYS 19 OK 93 100 95 98 2.4-3.9 4.0=83, 3.0/3024=21...(17) HG2 LYS 19 + HE2 LYS 19 OK 88 100 90 98 2.2-4.1 4.0=83, 3.0/3014=22...(22) 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): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 LYS 19 + HE3 LYS 19 OK 33 100 35 94 2.1-4.2 4.0=56, 1.8/3026=21...(21) HG3 LYS 19 - HE2 LYS 19 far 15 100 15 - 2.2-4.2 HG LEU 82 - HE2 LYS 61 far 0 68 0 - 6.8-12.9 Violated in 0 structures by 0.00 A. Peak 3028 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 5 out of 7 assignments used, quality = 1.00: * HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 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 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 33 100 35 94 2.1-4.2 4.0=56, 1.8/3016=21...(22) HG3 LYS 19 - HE2 LYS 19 far 15 100 15 - 2.2-4.2 HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.8-12.9 Violated in 0 structures by 0.00 A. Peak 3029 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 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 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 19 + HE3 LYS 19 OK 33 100 35 94 2.1-4.2 4.0=56, 1.8/3016=21...(22) HG3 LYS 19 - HE2 LYS 19 far 15 100 15 - 2.2-4.2 HG LEU 82 - HE2 LYS 61 far 0 66 0 - 6.8-12.9 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): 1 out of 4 assignments used, quality = 0.99: HB3 LYS 20 + HA LYS 20 OK 99 100 100 99 2.3-2.3 3.0=80, 2.9/3036=34...(28) ! HB2 LYS 20 - HA LYS 20 far 5 100 5 - 2.7-3.0 HB3 LYS 16 - HA LYS 20 far 0 94 0 - 7.4-9.0 HB2 LYS 16 - HA LYS 20 far 0 92 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 3035 from cnoeabs.peaks (1.89, 4.09, 58.54 ppm; 2.79 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 20 + HA LYS 20 OK 99 100 100 99 2.3-2.3 3.0=80, 2.9/3036=34...(28) HB2 LYS 20 - HA LYS 20 far 5 100 5 - 2.7-3.0 HB3 LYS 16 - HA LYS 20 far 0 94 0 - 7.4-9.0 HB2 LYS 16 - HA LYS 20 far 0 92 0 - 7.5-8.7 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 1 assignment used, quality = 0.95: * HG2 LYS 20 + HA LYS 20 OK 95 100 95 100 3.4-3.6 3063=93, 2.9/3034=69...(52) Violated in 1 structures by 0.01 A. Peak 3037 from cnoeabs.peaks (1.48, 4.09, 58.54 ppm; 4.05 A increased from 3.41 A): 1 out of 2 assignments used, quality = 0.95: * HG3 LYS 20 + HA LYS 20 OK 95 100 95 100 3.8-4.2 3.8=100 HG3 ARG 118 - HA LYS 20 far 0 97 0 - 9.3-14.4 Violated in 1 structures by 0.01 A. Peak 3038 from cnoeabs.peaks (1.69, 4.09, 58.54 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.97: * HD2 LYS 20 + HA LYS 20 OK 94 100 95 99 2.2-4.7 3.4/3035=52, 3.0/3036=49...(35) HD3 LYS 20 + HA LYS 20 OK 45 100 45 100 2.5-3.9 3.4/3034=52, 3.0/3036=49...(66) HD2 LYS 16 - HA LYS 20 far 0 100 0 - 7.1-10.9 HD3 LYS 16 - HA LYS 20 far 0 100 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (1.69, 4.09, 58.54 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.97: HD2 LYS 20 + HA LYS 20 OK 94 100 95 99 2.2-4.7 3.4/3035=52, 3.0/3036=49...(35) * HD3 LYS 20 + HA LYS 20 OK 45 100 45 100 2.5-3.9 3.4/3034=52, 3.0/3036=49...(66) HD2 LYS 16 - HA LYS 20 far 0 100 0 - 7.1-10.9 HD3 LYS 16 - HA LYS 20 far 0 100 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (7.30, 1.89, 31.98 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-2.8 1142=100, 1869/122=49...(20) H LYS 20 - HB3 LYS 20 far 0 100 0 - 3.6-3.6 HE21 GLN 100 - HB2 LYS 96 far 0 44 0 - 4.9-9.5 H LYS 20 - HB2 LYS 16 far 0 65 0 - 5.5-6.7 H LYS 20 - HB3 LYS 16 far 0 69 0 - 5.6-6.9 HE21 GLN 100 - HB2 LYS 73 far 0 52 0 - 8.6-13.1 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (4.09, 1.89, 31.98 ppm; 2.70 A): 2 out of 9 assignments used, quality = 1.00: HA LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-2.3 3034=92, 3036/2.9=32...(25) HA LYS 43 + HB3 LYS 43 OK 76 78 100 97 2.4-2.7 3.0=73, 3814/3.0=35...(18) ! HA LYS 20 - HB2 LYS 20 far 5 100 5 - 2.7-3.0 HA GLU 91 - HB2 LYS 96 far 0 53 0 - 7.2-9.4 HA LYS 20 - HB3 LYS 16 far 0 69 0 - 7.4-9.0 HA LYS 20 - HB2 LYS 16 far 0 65 0 - 7.5-8.7 HA LYS 43 - HB2 LYS 73 far 0 84 0 - 8.6-11.8 HA LYS 43 - HB3 LYS 73 far 0 86 0 - 9.6-11.6 HA GLN 62 - HB2 LYS 96 far 0 41 0 - 9.7-11.6 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 14 assignments used, quality = 1.00: * HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-2.6 2.9=100 HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 3.0-3.0 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 0 65 0 - 4.5-7.0 HG2 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.6-8.3 HD3 LYS 17 - HB2 LYS 16 far 0 52 0 - 6.2-7.5 HD3 LYS 17 - HB3 LYS 16 far 0 56 0 - 7.0-7.9 HB3 LEU 14 - HB2 LYS 16 far 0 58 0 - 8.0-9.0 HB2 LYS 61 - HB2 LYS 96 far 0 60 0 - 8.0-9.7 HB3 LEU 14 - HB3 LYS 16 far 0 62 0 - 8.1-9.0 HD3 LYS 17 - HB2 LYS 20 far 0 90 0 - 8.4-8.9 HG2 LYS 43 - HB2 LYS 73 far 0 78 0 - 9.2-12.4 HG LEU 38 - HB3 LYS 43 far 0 53 0 - 9.5-10.2 HD3 LYS 17 - HB3 LYS 20 far 0 90 0 - 9.7-10.3 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 16 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-2.5 2.9=92, 1144/1142=30...(55) HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.4-2.6 2.9=92, 3.8/3035=32...(29) HG3 LYS 73 + HB2 LYS 73 OK 80 84 95 100 2.2-2.9 2.9=96, 5128/3.0=31...(54) HG3 LYS 73 + HB3 LYS 73 OK 21 86 25 100 2.4-3.0 2.9=96, 5128/3.0=31...(18) HB2 LEU 74 - HB2 LYS 73 far 0 72 0 - 4.7-6.1 HG3 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.2-7.0 HG3 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.3-7.9 HG2 LYS 39 - HB3 LYS 43 far 0 41 0 - 5.4-9.5 HB2 LEU 74 - HB3 LYS 73 far 0 74 0 - 6.1-6.4 HG3 LYS 49 - HB3 LYS 43 far 0 44 0 - 7.2-14.7 HB3 LEU 45 - HB2 LYS 73 far 0 72 0 - 8.3-11.9 HB3 LEU 45 - HB3 LYS 43 far 0 66 0 - 8.4-8.7 HG2 LYS 49 - HB3 LYS 43 far 0 44 0 - 8.4-15.3 HG3 ARG 118 - HB2 LYS 20 far 0 97 0 - 8.6-13.3 HG3 ARG 118 - HB3 LYS 20 far 0 97 0 - 9.6-14.5 HB3 LEU 45 - HB3 LYS 73 far 0 74 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 3048 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 5 out of 44 assignments used, quality = 0.96: HD2 LYS 73 + HB3 LYS 73 OK 56 85 70 94 2.1-3.1 3.8=33, 5174/3.0=27...(34) HD2 LYS 16 + HB2 LYS 16 OK 53 65 85 96 2.1-3.7 3.6=40, 2782/1.8=24...(39) HD2 LYS 43 + HB3 LYS 43 OK 45 68 70 94 2.1-3.5 3.8=34, 4.8/3813=14...(48) HD3 LYS 43 + HB3 LYS 43 OK 39 76 55 93 2.1-3.6 3.8=34, 3817/3.0=17...(48) HD2 LYS 20 + HB3 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=46, 3038/3035=24...(48) HD3 LYS 73 - HB3 LYS 73 far 13 84 15 - 2.6-3.8 HD2 LYS 16 - HB3 LYS 16 far 10 69 15 - 2.3-3.0 HD3 LYS 20 - HB3 LYS 20 far 5 100 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 3 69 5 - 2.7-3.9 HD3 LYS 16 - HB2 LYS 16 far 0 65 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 55 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 82 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 58 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 83 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 71 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 68 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 ! HD2 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 65 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 57 0 - 4.3-5.6 HD3 LYS 44 - HB3 LYS 43 far 0 53 0 - 5.1-8.3 HD2 LYS 40 - HB3 LYS 43 far 0 74 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 59 0 - 5.3-7.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 72 0 - 6.1-8.7 HD2 LYS 17 - HB2 LYS 16 far 0 60 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 64 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 80 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 63 0 - 7.1-8.0 HD3 LYS 39 - HB3 LYS 43 far 0 47 0 - 7.5-10.6 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.8-11.3 HD2 LYS 39 - HB3 LYS 43 far 0 44 0 - 7.8-11.0 HD2 LYS 17 - HB2 LYS 20 far 0 97 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 82 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 97 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 82 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 76 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 50 0 - 9.5-10.5 HD2 LYS 43 - HB2 LYS 73 far 0 75 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 5 out of 44 assignments used, quality = 0.96: HD2 LYS 73 + HB3 LYS 73 OK 56 86 70 94 2.1-3.1 3.8=33, 5174/3.0=27...(34) HD2 LYS 16 + HB2 LYS 16 OK 53 65 85 96 2.1-3.7 3.6=40, 2782/1.8=24...(39) HD2 LYS 43 + HB3 LYS 43 OK 46 70 70 94 2.1-3.5 3.8=34, 4.8/3813=14...(48) HD3 LYS 43 + HB3 LYS 43 OK 40 77 55 93 2.1-3.6 3.8=34, 3817/3.0=17...(48) HD2 LYS 20 + HB3 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=46, 3039/3034=24...(48) HD3 LYS 73 - HB3 LYS 73 far 13 85 15 - 2.6-3.8 HD2 LYS 16 - HB3 LYS 16 far 10 69 15 - 2.3-3.0 HD3 LYS 20 - HB3 LYS 20 far 5 100 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 3 69 5 - 2.7-3.9 HD3 LYS 16 - HB2 LYS 16 far 0 65 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 52 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 83 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 60 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 84 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 72 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 70 0 - 3.6-3.8 ! HD3 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 65 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 53 0 - 4.3-5.6 HD3 LYS 44 - HB3 LYS 43 far 0 50 0 - 5.1-8.3 HD2 LYS 40 - HB3 LYS 43 far 0 75 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 56 0 - 5.3-7.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 74 0 - 6.1-8.7 HD2 LYS 17 - HB2 LYS 16 far 0 61 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 61 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 78 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 65 0 - 7.1-8.0 HD3 LYS 39 - HB3 LYS 43 far 0 44 0 - 7.5-10.6 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.8-11.3 HD2 LYS 39 - HB3 LYS 43 far 0 41 0 - 7.8-11.0 HD2 LYS 17 - HB2 LYS 20 far 0 98 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 80 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 98 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 83 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 77 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 47 0 - 9.5-10.5 HD2 LYS 43 - HB2 LYS 73 far 0 77 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3051 from cnoeabs.peaks (2.96, 1.89, 31.98 ppm; 3.94 A): 8 out of 30 assignments used, quality = 0.99: HE3 LYS 20 + HB3 LYS 20 OK 80 100 80 100 2.0-4.6 4.8=54, 3080/2.9=29...(57) HE2 LYS 20 + HB3 LYS 20 OK 60 100 60 100 2.0-4.9 4.8=54, 3080/2.9=37...(56) HE2 LYS 20 + HB2 LYS 20 OK 40 100 40 100 3.6-5.5 4.8=54, 3080/2.9=37...(89) HE3 LYS 73 + HB3 LYS 73 OK 40 66 60 100 2.1-4.6 4.9=52, 5198/2.9=45...(29) * HE3 LYS 20 + HB2 LYS 20 OK 30 100 30 100 3.6-5.0 4.8=54, 3081/2.9=29...(89) HE3 LYS 43 + HB3 LYS 43 OK 29 64 45 99 2.0-4.6 4.7=60, 1.8/5195=25...(35) HE2 LYS 73 + HB3 LYS 73 OK 27 50 55 100 2.0-4.7 4.9=52, ~5198=48...(33) HE2 LYS 43 + HB3 LYS 43 OK 22 50 45 100 2.2-4.6 4.7=60, 3849/3.0=24...(37) HE3 LYS 73 - HB2 LYS 73 poor 19 64 30 - 3.4-5.3 HE2 LYS 20 - HB2 LYS 16 poor 16 65 25 - 3.4-8.7 HE3 LYS 20 - HB2 LYS 16 far 10 65 15 - 3.2-8.4 HE2 LYS 73 - HB2 LYS 73 poor 10 48 20 - 3.5-5.5 HE3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.2-9.9 HE2 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 0 76 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 100 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 78 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 100 0 - 5.6-8.5 HB3 ASN 24 - HB3 LYS 20 far 0 100 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 47 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 100 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 53 0 - 6.6-11.7 HE3 LYS 43 - HB2 LYS 73 far 0 70 0 - 7.7-13.4 HD3 ARG 118 - HB2 LYS 20 far 0 97 0 - 8.1-13.3 HE2 LYS 43 - HB2 LYS 73 far 0 55 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 72 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 44 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 57 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 97 0 - 9.3-14.6 HE3 LYS 73 - HB3 LYS 43 far 0 59 0 - 9.5-16.7 Violated in 0 structures by 0.00 A. Peak 3052 from cnoeabs.peaks (7.30, 1.89, 31.98 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: H LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-2.8 1142=100, 1869/122=49...(20) ! H LYS 20 - HB3 LYS 20 far 0 100 0 - 3.6-3.6 HE21 GLN 100 - HB2 LYS 96 far 0 44 0 - 4.9-9.5 H LYS 20 - HB2 LYS 16 far 0 65 0 - 5.5-6.7 H LYS 20 - HB3 LYS 16 far 0 69 0 - 5.6-6.9 HE21 GLN 100 - HB2 LYS 73 far 0 52 0 - 8.6-13.1 Violated in 0 structures by 0.00 A. Peak 3053 from cnoeabs.peaks (4.09, 1.89, 31.98 ppm; 2.70 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.3-2.3 3034=92, 3036/2.9=32...(25) HA LYS 43 + HB3 LYS 43 OK 76 78 100 97 2.4-2.7 3.0=73, 3814/3.0=35...(18) HA LYS 20 - HB2 LYS 20 far 5 100 5 - 2.7-3.0 HA GLU 91 - HB2 LYS 96 far 0 53 0 - 7.2-9.4 HA LYS 20 - HB3 LYS 16 far 0 69 0 - 7.4-9.0 HA LYS 20 - HB2 LYS 16 far 0 65 0 - 7.5-8.7 HA LYS 43 - HB2 LYS 73 far 0 84 0 - 8.6-11.8 HA LYS 43 - HB3 LYS 73 far 0 86 0 - 9.6-11.6 HA GLN 62 - HB2 LYS 96 far 0 41 0 - 9.7-11.6 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 14 assignments used, quality = 1.00: HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.4-2.6 2.9=100 * HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 3.0-3.0 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 0 65 0 - 4.5-7.0 HG2 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.6-8.3 HD3 LYS 17 - HB2 LYS 16 far 0 52 0 - 6.2-7.5 HD3 LYS 17 - HB3 LYS 16 far 0 56 0 - 7.0-7.9 HB3 LEU 14 - HB2 LYS 16 far 0 58 0 - 8.0-9.0 HB2 LYS 61 - HB2 LYS 96 far 0 60 0 - 8.0-9.7 HB3 LEU 14 - HB3 LYS 16 far 0 62 0 - 8.1-9.0 HD3 LYS 17 - HB2 LYS 20 far 0 90 0 - 8.4-8.9 HG2 LYS 43 - HB2 LYS 73 far 0 78 0 - 9.2-12.4 HG LEU 38 - HB3 LYS 43 far 0 53 0 - 9.5-10.2 HD3 LYS 17 - HB3 LYS 20 far 0 90 0 - 9.7-10.3 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 16 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.3-2.5 2.9=92, 1144/1142=30...(55) * HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.4-2.6 2.9=92, 3.8/3035=32...(29) HG3 LYS 73 + HB2 LYS 73 OK 80 84 95 100 2.2-2.9 2.9=96, 5128/3.0=31...(54) HG3 LYS 73 + HB3 LYS 73 OK 21 86 25 100 2.4-3.0 2.9=96, 5128/3.0=31...(18) HB2 LEU 74 - HB2 LYS 73 far 0 72 0 - 4.7-6.1 HG3 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.2-7.0 HG3 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.3-7.9 HG2 LYS 39 - HB3 LYS 43 far 0 41 0 - 5.4-9.5 HB2 LEU 74 - HB3 LYS 73 far 0 74 0 - 6.1-6.4 HG3 LYS 49 - HB3 LYS 43 far 0 44 0 - 7.2-14.7 HB3 LEU 45 - HB2 LYS 73 far 0 72 0 - 8.3-11.9 HB3 LEU 45 - HB3 LYS 43 far 0 66 0 - 8.4-8.7 HG2 LYS 49 - HB3 LYS 43 far 0 44 0 - 8.4-15.3 HG3 ARG 118 - HB2 LYS 20 far 0 97 0 - 8.6-13.3 HG3 ARG 118 - HB3 LYS 20 far 0 97 0 - 9.6-14.5 HB3 LEU 45 - HB3 LYS 73 far 0 74 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 5 out of 44 assignments used, quality = 0.96: HD2 LYS 73 + HB3 LYS 73 OK 56 85 70 94 2.1-3.1 3.8=33, 5174/3.0=27...(34) HD2 LYS 16 + HB2 LYS 16 OK 53 65 85 96 2.1-3.7 3.6=40, 2782/1.8=24...(39) HD2 LYS 43 + HB3 LYS 43 OK 45 68 70 94 2.1-3.5 3.8=34, 4.8/3813=14...(48) HD3 LYS 43 + HB3 LYS 43 OK 39 76 55 93 2.1-3.6 3.8=34, 3817/3.0=17...(48) * HD2 LYS 20 + HB3 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=46, 3038/3035=24...(48) HD3 LYS 73 - HB3 LYS 73 far 13 84 15 - 2.6-3.8 HD2 LYS 16 - HB3 LYS 16 far 10 69 15 - 2.3-3.0 HD3 LYS 20 - HB3 LYS 20 far 5 100 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 3 69 5 - 2.7-3.9 HD3 LYS 16 - HB2 LYS 16 far 0 65 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 55 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 82 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 58 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 83 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 71 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 68 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 65 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 57 0 - 4.3-5.6 HD3 LYS 44 - HB3 LYS 43 far 0 53 0 - 5.1-8.3 HD2 LYS 40 - HB3 LYS 43 far 0 74 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 59 0 - 5.3-7.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 72 0 - 6.1-8.7 HD2 LYS 17 - HB2 LYS 16 far 0 60 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 64 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 80 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 63 0 - 7.1-8.0 HD3 LYS 39 - HB3 LYS 43 far 0 47 0 - 7.5-10.6 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.8-11.3 HD2 LYS 39 - HB3 LYS 43 far 0 44 0 - 7.8-11.0 HD2 LYS 17 - HB2 LYS 20 far 0 97 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 82 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 97 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 82 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 76 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 50 0 - 9.5-10.5 HD2 LYS 43 - HB2 LYS 73 far 0 75 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 5 out of 44 assignments used, quality = 0.96: HD2 LYS 73 + HB3 LYS 73 OK 56 86 70 94 2.1-3.1 3.8=33, 5174/3.0=27...(34) HD2 LYS 16 + HB2 LYS 16 OK 53 65 85 96 2.1-3.7 3.6=40, 2782/1.8=24...(39) HD2 LYS 43 + HB3 LYS 43 OK 46 70 70 94 2.1-3.5 3.8=34, 4.8/3813=14...(48) HD3 LYS 43 + HB3 LYS 43 OK 40 77 55 93 2.1-3.6 3.8=34, 3817/3.0=17...(48) HD2 LYS 20 + HB3 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=46, 3039/3034=24...(48) HD3 LYS 73 - HB3 LYS 73 far 13 85 15 - 2.6-3.8 HD2 LYS 16 - HB3 LYS 16 far 10 69 15 - 2.3-3.0 ! HD3 LYS 20 - HB3 LYS 20 far 5 100 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 3 69 5 - 2.7-3.9 HD3 LYS 16 - HB2 LYS 16 far 0 65 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 52 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 83 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 60 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 84 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 72 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 70 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 100 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 65 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.1-10.3 HG LEU 74 - HB3 LYS 73 far 0 53 0 - 4.3-5.6 HD3 LYS 44 - HB3 LYS 43 far 0 50 0 - 5.1-8.3 HD2 LYS 40 - HB3 LYS 43 far 0 75 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 56 0 - 5.3-7.4 HD2 LYS 20 - HB3 LYS 16 far 0 69 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 65 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 100 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 74 0 - 6.1-8.7 HD2 LYS 17 - HB2 LYS 16 far 0 61 0 - 6.3-7.6 HD2 LYS 16 - HB3 LYS 20 far 0 100 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 61 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 78 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 100 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 65 0 - 7.1-8.0 HD3 LYS 39 - HB3 LYS 43 far 0 44 0 - 7.5-10.6 HD3 LYS 16 - HB3 LYS 20 far 0 100 0 - 7.8-11.3 HD2 LYS 39 - HB3 LYS 43 far 0 41 0 - 7.8-11.0 HD2 LYS 17 - HB2 LYS 20 far 0 98 0 - 7.9-8.8 HG12 ILE 71 - HB3 LYS 73 far 0 80 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 98 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 83 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 77 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 47 0 - 9.5-10.5 HD2 LYS 43 - HB2 LYS 73 far 0 77 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (2.96, 1.89, 31.98 ppm; 3.94 A): 8 out of 30 assignments used, quality = 0.99: * HE3 LYS 20 + HB3 LYS 20 OK 80 100 80 100 2.0-4.6 4.8=54, 3080/2.9=29...(57) HE2 LYS 20 + HB3 LYS 20 OK 60 100 60 100 2.0-4.9 4.8=54, 3080/2.9=37...(56) HE2 LYS 20 + HB2 LYS 20 OK 40 100 40 100 3.6-5.5 4.8=54, 3080/2.9=37...(89) HE3 LYS 73 + HB3 LYS 73 OK 40 66 60 100 2.1-4.6 4.9=52, 5198/2.9=45...(29) HE3 LYS 20 + HB2 LYS 20 OK 30 100 30 100 3.6-5.0 4.8=54, 3081/2.9=29...(89) HE3 LYS 43 + HB3 LYS 43 OK 29 64 45 99 2.0-4.6 4.7=60, 1.8/5195=25...(35) HE2 LYS 73 + HB3 LYS 73 OK 27 50 55 100 2.0-4.7 4.9=52, ~5198=48...(33) HE2 LYS 43 + HB3 LYS 43 OK 22 50 45 100 2.2-4.6 4.7=60, 3849/3.0=24...(37) HE3 LYS 73 - HB2 LYS 73 poor 19 64 30 - 3.4-5.3 HE2 LYS 20 - HB2 LYS 16 poor 16 65 25 - 3.4-8.7 HE3 LYS 20 - HB2 LYS 16 far 10 65 15 - 3.2-8.4 HE2 LYS 73 - HB2 LYS 73 poor 10 48 20 - 3.5-5.5 HE3 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.2-9.9 HE2 LYS 20 - HB3 LYS 16 far 0 69 0 - 4.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 0 76 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 100 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 78 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 100 0 - 5.6-8.5 HB3 ASN 24 - HB3 LYS 20 far 0 100 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 47 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 100 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 53 0 - 6.6-11.7 HE3 LYS 43 - HB2 LYS 73 far 0 70 0 - 7.7-13.4 HD3 ARG 118 - HB2 LYS 20 far 0 97 0 - 8.1-13.3 HE2 LYS 43 - HB2 LYS 73 far 0 55 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 72 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 44 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 57 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 97 0 - 9.3-14.6 HE3 LYS 73 - HB3 LYS 43 far 0 59 0 - 9.5-16.7 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 1.9-2.8 1143=100, 1144/1.8=95...(21) Violated in 0 structures by 0.00 A. Peak 3063 from cnoeabs.peaks (4.09, 1.51, 24.44 ppm; 3.60 A increased from 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 20 + HG2 LYS 20 OK 100 100 100 100 3.4-3.6 3036=100, 3035/2.9=71...(52) Violated in 1 structures by 0.00 A. Peak 3064 from cnoeabs.peaks (1.89, 1.51, 24.44 ppm; 2.96 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.4-2.6 2.9=100 HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 16 - HG2 LYS 20 far 0 92 0 - 4.5-7.0 HB3 LYS 16 - HG2 LYS 20 far 0 94 0 - 4.6-8.3 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 4 assignments used, quality = 1.00: HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.4-2.6 2.9=100 * HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 16 - HG2 LYS 20 far 0 92 0 - 4.5-7.0 HB3 LYS 16 - HG2 LYS 20 far 0 94 0 - 4.6-8.3 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 - 8.7-15.0 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 = 0.95: HD3 LYS 20 + HG2 LYS 20 OK 90 100 95 94 2.3-2.7 3.0=62, 1.8/3086=14...(51) * HD2 LYS 20 + HG2 LYS 20 OK 55 100 60 92 2.3-3.0 3.0=62, 1.8/3086=23...(29) HD2 LYS 16 - HG2 LYS 20 far 0 100 0 - 3.7-8.5 HD3 LYS 16 - HG2 LYS 20 far 0 100 0 - 5.2-8.3 HD2 LYS 17 - HG2 LYS 20 far 0 97 0 - 7.0-7.8 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 = 0.95: * HD3 LYS 20 + HG2 LYS 20 OK 90 100 95 94 2.3-2.7 3.0=62, 1.8/3086=14...(51) HD2 LYS 20 + HG2 LYS 20 OK 55 100 60 92 2.3-3.0 3.0=62, 1.8/3086=23...(29) HD2 LYS 16 - HG2 LYS 20 far 0 100 0 - 3.7-8.5 HD3 LYS 16 - HG2 LYS 20 far 0 100 0 - 5.2-8.3 HD2 LYS 17 - HG2 LYS 20 far 0 98 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 3070 from cnoeabs.peaks (2.96, 1.51, 24.44 ppm; 3.91 A increased from 3.48 A): 2 out of 5 assignments used, quality = 0.99: * HE2 LYS 20 + HG2 LYS 20 OK 95 100 95 100 2.8-4.1 3.9=100 HE3 LYS 20 + HG2 LYS 20 OK 75 100 75 100 2.6-4.2 3.9=100 HB2 ASN 24 - HG2 LYS 20 far 0 100 0 - 6.7-10.5 HB3 ASN 24 - HG2 LYS 20 far 0 100 0 - 8.3-12.2 HD3 ARG 118 - HG2 LYS 20 far 0 97 0 - 8.4-14.9 Violated in 0 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (2.96, 1.51, 24.44 ppm; 3.91 A increased from 3.48 A): 2 out of 5 assignments used, quality = 0.99: HE2 LYS 20 + HG2 LYS 20 OK 95 100 95 100 2.8-4.1 3.9=100 * HE3 LYS 20 + HG2 LYS 20 OK 75 100 75 100 2.6-4.2 3.9=100 HB2 ASN 24 - HG2 LYS 20 far 0 100 0 - 6.7-10.5 HB3 ASN 24 - HG2 LYS 20 far 0 100 0 - 8.3-12.2 HD3 ARG 118 - HG2 LYS 20 far 0 97 0 - 8.4-14.9 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 3.5-3.7 1144=100, 1141/2.9=91...(23) Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (4.09, 1.48, 24.44 ppm; 3.99 A increased from 3.55 A): 1 out of 1 assignment used, quality = 0.95: * HA LYS 20 + HG3 LYS 20 OK 95 100 95 100 3.8-4.2 3.8=100 Violated in 1 structures by 0.01 A. Peak 3074 from cnoeabs.peaks (1.89, 1.48, 24.44 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LYS 16 - HG3 LYS 20 far 0 92 0 - 5.2-7.0 HB3 LYS 16 - HG3 LYS 20 far 0 94 0 - 5.3-7.9 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 4 assignments used, quality = 1.00: HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.3-2.5 2.9=100 * HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LYS 16 - HG3 LYS 20 far 0 92 0 - 5.2-7.0 HB3 LYS 16 - HG3 LYS 20 far 0 94 0 - 5.3-7.9 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 - 7.8-8.5 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; 3.13 A increased from 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 16 - HG3 LYS 20 far 0 100 0 - 4.2-8.8 HD3 LYS 16 - HG3 LYS 20 far 0 100 0 - 5.6-9.2 HD2 LYS 17 - HG3 LYS 20 far 0 97 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 3079 from cnoeabs.peaks (1.69, 1.48, 24.44 ppm; 3.13 A increased from 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 16 - HG3 LYS 20 far 0 100 0 - 4.2-8.8 HD3 LYS 16 - HG3 LYS 20 far 0 100 0 - 5.6-9.2 HD2 LYS 17 - HG3 LYS 20 far 0 98 0 - 7.5-8.6 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: * HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.7 3.9=79, 3116/1.8=29...(82) HE3 LYS 20 + HG3 LYS 20 OK 80 100 80 100 2.1-3.7 3.9=79, 1.8/3117=26...(82) HB2 ASN 24 - HG3 LYS 20 far 0 100 0 - 7.3-10.7 HB3 ASN 24 - HG3 LYS 20 far 0 100 0 - 8.4-12.3 HD3 ARG 118 - HG3 LYS 20 far 0 97 0 - 9.6-15.6 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: HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.7 3.9=79, 3116/1.8=29...(82) * HE3 LYS 20 + HG3 LYS 20 OK 80 100 80 100 2.1-3.7 3.9=79, 1.8/3117=26...(82) HB2 ASN 24 - HG3 LYS 20 far 0 100 0 - 7.3-10.7 HB3 ASN 24 - HG3 LYS 20 far 0 100 0 - 8.4-12.3 HD3 ARG 118 - HG3 LYS 20 far 0 97 0 - 9.6-15.6 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 2.7-4.9 1141/3.4=98, 1144/3.0=95...(25) H LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.6-4.5 1142/3.4=98, 1144/3.0=95...(24) HE21 GLN 100 - HD2 LYS 96 poor 14 54 25 - 4.1-10.8 HE21 GLN 100 - HD3 LYS 96 far 6 59 10 - 4.8-11.4 HE21 GLN 100 - HD3 LYS 73 far 0 66 0 - 7.8-14.5 HE21 GLN 100 - HD2 LYS 73 far 0 68 0 - 8.5-14.7 HE21 GLN 100 - HG12 ILE 71 far 0 58 0 - 8.8-11.9 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 10 assignments used, quality = 0.99: * HA LYS 20 + HD2 LYS 20 OK 95 100 95 99 2.2-4.7 3038=68, 3034/3.4=53...(35) HA LYS 43 + HD3 LYS 43 OK 69 99 70 100 2.1-4.3 3814/2.9=55, 3821/3.8=47...(61) HA LYS 20 + HD3 LYS 20 OK 45 100 45 100 2.5-3.9 3034/3.4=53, 3036/3.0=49...(66) HA LYS 43 + HD2 LYS 43 OK 39 87 45 100 2.4-4.7 3814/2.9=55, 3821/3.8=47...(66) HA GLU 91 - HD2 LYS 96 far 0 64 0 - 6.6-10.9 HA LYS 43 - HD3 LYS 73 far 0 99 0 - 7.2-13.2 HA GLU 91 - HD3 LYS 96 far 0 69 0 - 7.6-10.7 HA GLN 62 - HD3 LYS 96 far 0 55 0 - 8.5-13.8 HA LYS 43 - HD2 LYS 73 far 0 99 0 - 8.8-13.4 HA LYS 43 - HG12 ILE 71 far 0 92 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.70 A): 5 out of 45 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 80 88 100 91 2.6-2.7 3.0=71, 1467/1469=24...(7) HB3 LYS 73 + HD2 LYS 73 OK 65 98 70 95 2.1-3.1 3.8=34, 3.0/5174=27...(34) HB3 LYS 43 + HD2 LYS 43 OK 48 72 70 95 2.1-3.5 3.8=35, 3.0/3857=14...(48) HB3 LYS 43 + HD3 LYS 43 OK 45 86 55 94 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=48, 3034/3038=24...(52) HB3 LYS 73 - HD3 LYS 73 poor 19 97 20 - 2.6-3.8 HB3 LYS 20 - HD3 LYS 20 far 5 100 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 3 66 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 64 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 54 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 81 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 97 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 98 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 78 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 73 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 100 0 - 3.6-4.2 ! HB2 LYS 20 - HD2 LYS 20 far 0 100 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 69 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 87 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 92 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 94 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 80 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 84 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 77 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 69 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 89 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 93 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 96 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 77 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 64 0 - 7.3-9.7 HB ILE 71 - HD2 LYS 73 far 0 97 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 79 0 - 7.4-9.3 HB3 LYS 44 - HD2 LYS 43 far 0 57 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 70 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 79 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 90 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 93 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 97 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 86 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 91 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 77 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 84 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 89 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3085 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.70 A): 5 out of 45 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 80 88 100 91 2.6-2.7 3.0=71, 1467/1469=24...(7) HB3 LYS 73 + HD2 LYS 73 OK 65 98 70 95 2.1-3.1 3.8=34, 3.0/5174=27...(34) HB3 LYS 43 + HD2 LYS 43 OK 48 72 70 95 2.1-3.5 3.8=35, 3.0/3857=14...(48) HB3 LYS 43 + HD3 LYS 43 OK 45 86 55 94 2.1-3.6 3.8=35, 3.0/3817=17...(48) * HB3 LYS 20 + HD2 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=48, 3034/3038=24...(52) HB3 LYS 73 - HD3 LYS 73 poor 19 97 20 - 2.6-3.8 HB3 LYS 20 - HD3 LYS 20 far 5 100 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 3 66 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 64 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 54 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 81 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 97 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 98 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 78 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 73 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 100 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 100 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 69 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 87 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 92 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 94 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 80 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 84 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 77 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 69 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 89 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 93 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 96 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 77 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 64 0 - 7.3-9.7 HB ILE 71 - HD2 LYS 73 far 0 97 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 79 0 - 7.4-9.3 HB3 LYS 44 - HD2 LYS 43 far 0 57 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 70 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 79 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 90 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 93 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 97 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 86 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 91 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 77 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 84 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 89 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (1.51, 1.69, 28.78 ppm; 2.55 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.99: HG2 LYS 20 + HD3 LYS 20 OK 91 100 95 96 2.3-2.7 3.0=65, 3068/1.8=24...(50) * HG2 LYS 20 + HD2 LYS 20 OK 57 100 60 94 2.3-3.0 3.0=65, 3069/1.8=39...(27) HG2 LYS 43 + HD3 LYS 43 OK 56 94 60 98 2.3-3.0 2.9=67, 3814/4.8=13...(72) HG2 LYS 43 + HD2 LYS 43 OK 36 81 45 98 2.3-3.0 2.9=67, 1.8/3857=19...(74) HG LEU 6 - HG12 ILE 71 far 0 69 0 - 6.0-6.7 HB2 LEU 6 - HG12 ILE 71 far 0 91 0 - 6.2-6.7 HG LEU 38 - HG12 ILE 71 far 0 65 0 - 6.5-7.8 HB2 LYS 61 - HD3 LYS 96 far 0 78 0 - 7.4-12.6 HG2 LYS 43 - HD3 LYS 73 far 0 94 0 - 8.3-13.4 HD3 LYS 17 - HD3 LYS 20 far 0 89 0 - 8.7-10.5 HG LEU 38 - HD3 LYS 43 far 0 74 0 - 8.8-10.7 HB2 LYS 61 - HD2 LYS 96 far 0 73 0 - 8.9-11.6 HG LEU 38 - HD2 LYS 43 far 0 61 0 - 9.3-10.8 HD3 LYS 17 - HD2 LYS 20 far 0 90 0 - 9.3-10.7 HG2 LYS 43 - HD2 LYS 73 far 0 96 0 - 9.9-13.9 HG2 LYS 43 - HG12 ILE 71 far 0 86 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (1.48, 1.69, 28.78 ppm; 3.00 A increased from 2.40 A): 4 out of 26 assignments used, quality = 1.00: * HG3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.5-3.0 3.0=100 HG3 LYS 73 + HD3 LYS 73 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 39 - HD2 LYS 43 far 0 47 0 - 3.5-9.1 HG2 LYS 39 - HD3 LYS 43 far 0 58 0 - 4.4-9.1 HB2 LEU 74 - HD3 LYS 73 far 0 89 0 - 4.4-8.8 HB2 LEU 74 - HG12 ILE 71 far 0 80 0 - 4.7-6.3 HB2 LEU 74 - HD2 LYS 73 far 0 90 0 - 4.9-8.1 HG3 LYS 73 - HG12 ILE 71 far 0 91 0 - 6.3-7.8 HB3 LEU 45 - HG12 ILE 71 far 0 80 0 - 7.0-8.1 HB3 LEU 6 - HG12 ILE 71 far 0 55 0 - 7.6-8.2 HG3 ARG 118 - HD2 LYS 20 far 0 97 0 - 8.1-16.3 HB3 LEU 45 - HD3 LYS 73 far 0 89 0 - 8.2-13.7 HB3 LEU 38 - HG12 ILE 71 far 0 65 0 - 8.4-9.8 HB3 LEU 45 - HD3 LYS 43 far 0 89 0 - 8.5-10.7 HG3 LYS 49 - HD3 LYS 43 far 0 62 0 - 8.8-16.5 HB3 LEU 45 - HD2 LYS 43 far 0 75 0 - 8.9-11.3 HG3 LYS 73 - HD3 LYS 43 far 0 98 0 - 8.9-13.3 HG3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.0-17.2 HG3 LYS 73 - HD2 LYS 43 far 0 86 0 - 9.3-13.8 HG3 LYS 49 - HD2 LYS 43 far 0 50 0 - 9.4-17.0 HB3 LEU 45 - HD2 LYS 73 far 0 90 0 - 9.4-13.3 HG2 LYS 39 - HG12 ILE 71 far 0 51 0 - 9.5-12.3 HG12 ILE 57 - HD3 LYS 20 far 0 73 0 - 9.6-12.8 HG2 LYS 49 - HD3 LYS 43 far 0 62 0 - 9.9-17.1 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): 11 out of 37 assignments used, quality = 1.00: HE3 LYS 20 + HD2 LYS 20 OK 73 100 80 91 2.3-3.0 3.0=61, 3081/3.0=12...(35) HE2 LYS 20 + HD3 LYS 20 OK 69 100 75 92 2.3-3.0 3.0=61, 3.9/3068=15...(41) HE2 LYS 43 + HD3 LYS 43 OK 58 70 90 91 2.3-3.0 3.0=61, 3849/2.9=9...(40) HE3 LYS 73 + HD2 LYS 73 OK 44 82 60 90 2.3-3.0 2.9=65, 5198/3.0=20...(27) HE3 LYS 43 + HD2 LYS 43 OK 33 72 50 91 2.3-3.0 3.0=61, 3849/2.9=9...(38) HE3 LYS 73 + HD3 LYS 73 OK 33 80 45 90 2.3-3.0 2.9=65, 5198/3.0=20...(25) HE2 LYS 73 + HD2 LYS 73 OK 32 64 55 91 2.3-3.0 2.9=65, ~5198=15...(32) HE3 LYS 20 + HD3 LYS 20 OK 32 100 35 91 2.4-3.0 3.0=61, 3.9/3068=15...(35) * HE2 LYS 20 + HD2 LYS 20 OK 32 100 35 91 2.4-3.0 3.0=61, 3081/3.0=15...(41) HE2 LYS 73 + HD3 LYS 73 OK 32 62 55 93 2.3-3.0 2.9=65, 3.8/5169=18...(30) HE3 LYS 43 + HD3 LYS 43 OK 23 86 30 89 2.5-3.0 3.0=61, 1.8/5199=11...(38) HE2 LYS 43 - HD2 LYS 43 poor 17 57 30 - 2.5-3.0 HE3 LYS 39 - HD2 LYS 43 far 0 54 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 61 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 66 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 98 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 74 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 85 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 97 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 86 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 72 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 55 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 50 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 62 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 80 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 70 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 86 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 67 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 88 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 71 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.53 A): 11 out of 37 assignments used, quality = 1.00: * HE3 LYS 20 + HD2 LYS 20 OK 73 100 80 91 2.3-3.0 3.0=61, 3081/3.0=12...(35) HE2 LYS 20 + HD3 LYS 20 OK 69 100 75 92 2.3-3.0 3.0=61, 3.9/3068=15...(41) HE2 LYS 43 + HD3 LYS 43 OK 58 70 90 91 2.3-3.0 3.0=61, 3849/2.9=9...(40) HE3 LYS 73 + HD2 LYS 73 OK 44 82 60 90 2.3-3.0 2.9=65, 5198/3.0=20...(27) HE3 LYS 43 + HD2 LYS 43 OK 33 72 50 91 2.3-3.0 3.0=61, 3849/2.9=9...(38) HE3 LYS 73 + HD3 LYS 73 OK 33 80 45 90 2.3-3.0 2.9=65, 5198/3.0=20...(25) HE2 LYS 73 + HD2 LYS 73 OK 32 64 55 91 2.3-3.0 2.9=65, ~5198=15...(32) HE3 LYS 20 + HD3 LYS 20 OK 32 100 35 91 2.4-3.0 3.0=61, 3.9/3068=15...(35) HE2 LYS 20 + HD2 LYS 20 OK 32 100 35 91 2.4-3.0 3.0=61, 3081/3.0=15...(41) HE2 LYS 73 + HD3 LYS 73 OK 32 62 55 93 2.3-3.0 2.9=65, 3.8/5169=18...(30) HE3 LYS 43 + HD3 LYS 43 OK 23 86 30 89 2.5-3.0 3.0=61, 1.8/5199=11...(38) HE2 LYS 43 - HD2 LYS 43 poor 17 57 30 - 2.5-3.0 HE3 LYS 39 - HD2 LYS 43 far 0 54 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 61 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 66 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 98 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 74 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 85 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 97 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 86 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 72 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 55 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 50 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 62 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 80 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 70 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 86 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 67 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 88 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 71 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.7-14.2 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 2.6-4.5 1142/3.4=100...(24) H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.7-4.9 1141/3.4=100...(25) HE21 GLN 100 - HD3 LYS 96 poor 15 60 25 - 4.8-11.4 HE21 GLN 100 - HD2 LYS 96 lone 0 57 40 2 4.1-10.8 HE21 GLN 100 - HD3 LYS 73 far 0 68 0 - 7.8-14.5 HE21 GLN 100 - HD2 LYS 73 far 0 69 0 - 8.5-14.7 HE21 GLN 100 - HG12 ILE 71 far 0 56 0 - 8.8-11.9 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 10 assignments used, quality = 0.99: HA LYS 20 + HD2 LYS 20 OK 94 100 95 99 2.2-4.7 3039=67, 3034/3.4=51...(35) HA LYS 43 + HD3 LYS 43 OK 69 99 70 100 2.1-4.3 3814/2.9=54, 3821/3.8=46...(60) * HA LYS 20 + HD3 LYS 20 OK 45 100 45 100 2.5-3.9 3034/3.4=51, 3036/3.0=48...(66) HA LYS 43 + HD2 LYS 43 OK 36 90 40 100 2.4-4.7 3814/2.9=54, 3821/3.8=46...(65) HA GLU 91 - HD2 LYS 96 far 0 67 0 - 6.6-10.9 HA LYS 43 - HD3 LYS 73 far 0 99 0 - 7.2-13.2 HA GLU 91 - HD3 LYS 96 far 0 71 0 - 7.6-10.7 HA GLN 62 - HD3 LYS 96 far 0 57 0 - 8.5-13.8 HA LYS 43 - HD2 LYS 73 far 0 100 0 - 8.8-13.4 HA LYS 43 - HG12 ILE 71 far 0 89 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.72 A): 6 out of 45 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 78 85 100 91 2.6-2.7 3.0=73, 1467/1469=24...(7) HB3 LYS 73 + HD2 LYS 73 OK 66 99 70 95 2.1-3.1 3.8=35, 3.0/5174=28...(34) HB3 LYS 43 + HD2 LYS 43 OK 51 76 70 95 2.1-3.5 3.8=35, 3.0/3857=14...(48) HB3 LYS 43 + HD3 LYS 43 OK 50 88 60 94 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=49, 3035/3039=25...(52) HB3 LYS 73 + HD3 LYS 73 OK 24 98 25 97 2.6-3.8 3.8=35, 2.9/5169=32...(36) HB3 LYS 20 - HD3 LYS 20 far 5 100 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 3 68 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 67 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 57 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 84 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 98 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 98 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 80 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 76 0 - 3.6-3.8 ! HB2 LYS 20 - HD3 LYS 20 far 0 100 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 100 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 71 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 88 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 92 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 94 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 77 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 82 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 79 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 66 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 86 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 94 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 97 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 79 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 67 0 - 7.3-9.7 HB ILE 71 - HD2 LYS 73 far 0 98 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 83 0 - 7.4-9.3 HB3 LYS 44 - HD2 LYS 43 far 0 60 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 71 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 80 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 87 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 94 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 98 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 88 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 92 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 81 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 87 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 90 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.72 A): 6 out of 45 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 78 85 100 91 2.6-2.7 3.0=73, 1467/1469=24...(7) HB3 LYS 73 + HD2 LYS 73 OK 66 99 70 95 2.1-3.1 3.8=35, 3.0/5174=28...(34) HB3 LYS 43 + HD2 LYS 43 OK 51 76 70 95 2.1-3.5 3.8=35, 3.0/3857=14...(48) HB3 LYS 43 + HD3 LYS 43 OK 50 88 60 94 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 39 100 40 97 2.4-3.6 3.4=49, 3035/3039=25...(52) HB3 LYS 73 + HD3 LYS 73 OK 24 98 25 97 2.6-3.8 3.8=35, 2.9/5169=32...(36) ! HB3 LYS 20 - HD3 LYS 20 far 5 100 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 3 68 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 67 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 57 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 84 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 98 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 98 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 80 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 76 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 100 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 100 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 71 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 88 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 92 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 94 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 94 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 92 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 77 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 82 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 79 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 66 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 86 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 94 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 97 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 79 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 67 0 - 7.3-9.7 HB ILE 71 - HD2 LYS 73 far 0 98 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 83 0 - 7.4-9.3 HB3 LYS 44 - HD2 LYS 43 far 0 60 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 71 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 80 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 87 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 94 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 98 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 88 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 92 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 81 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 87 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 90 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (1.51, 1.69, 28.78 ppm; 2.55 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.99: * HG2 LYS 20 + HD3 LYS 20 OK 91 100 95 96 2.3-2.7 3.0=65, 3068/1.8=24...(50) HG2 LYS 20 + HD2 LYS 20 OK 57 100 60 94 2.3-3.0 3.0=65, 3069/1.8=39...(27) HG2 LYS 43 + HD3 LYS 43 OK 56 96 60 98 2.3-3.0 2.9=67, 3814/4.8=13...(72) HG2 LYS 43 + HD2 LYS 43 OK 37 85 45 98 2.3-3.0 2.9=67, 1.8/3857=19...(74) HG LEU 6 - HG12 ILE 71 far 0 66 0 - 6.0-6.7 HB2 LEU 6 - HG12 ILE 71 far 0 89 0 - 6.2-6.7 HG LEU 38 - HG12 ILE 71 far 0 63 0 - 6.5-7.8 HB2 LYS 61 - HD3 LYS 96 far 0 80 0 - 7.4-12.6 HG2 LYS 43 - HD3 LYS 73 far 0 96 0 - 8.3-13.4 HD3 LYS 17 - HD3 LYS 20 far 0 90 0 - 8.7-10.5 HG LEU 38 - HD3 LYS 43 far 0 75 0 - 8.8-10.7 HB2 LYS 61 - HD2 LYS 96 far 0 76 0 - 8.9-11.6 HG LEU 38 - HD2 LYS 43 far 0 64 0 - 9.3-10.8 HD3 LYS 17 - HD2 LYS 20 far 0 89 0 - 9.3-10.7 HG2 LYS 43 - HD2 LYS 73 far 0 96 0 - 9.9-13.9 HG2 LYS 43 - HG12 ILE 71 far 0 83 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (1.48, 1.69, 28.78 ppm; 3.00 A increased from 2.40 A): 4 out of 26 assignments used, quality = 1.00: * HG3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 LYS 39 - HD2 LYS 43 far 0 50 0 - 3.5-9.1 HG2 LYS 39 - HD3 LYS 43 far 0 60 0 - 4.4-9.1 HB2 LEU 74 - HD3 LYS 73 far 0 90 0 - 4.4-8.8 HB2 LEU 74 - HG12 ILE 71 far 0 77 0 - 4.7-6.3 HB2 LEU 74 - HD2 LYS 73 far 0 91 0 - 4.9-8.1 HG3 LYS 73 - HG12 ILE 71 far 0 89 0 - 6.3-7.8 HB3 LEU 45 - HG12 ILE 71 far 0 77 0 - 7.0-8.1 HB3 LEU 6 - HG12 ILE 71 far 0 52 0 - 7.6-8.2 HG3 ARG 118 - HD2 LYS 20 far 0 97 0 - 8.1-16.3 HB3 LEU 45 - HD3 LYS 73 far 0 90 0 - 8.2-13.7 HB3 LEU 38 - HG12 ILE 71 far 0 63 0 - 8.4-9.8 HB3 LEU 45 - HD3 LYS 43 far 0 90 0 - 8.5-10.7 HG3 LYS 49 - HD3 LYS 43 far 0 64 0 - 8.8-16.5 HB3 LEU 45 - HD2 LYS 43 far 0 78 0 - 8.9-11.3 HG3 LYS 73 - HD3 LYS 43 far 0 99 0 - 8.9-13.3 HG3 ARG 118 - HD3 LYS 20 far 0 97 0 - 9.0-17.2 HG3 LYS 73 - HD2 LYS 43 far 0 90 0 - 9.3-13.8 HG3 LYS 49 - HD2 LYS 43 far 0 53 0 - 9.4-17.0 HB3 LEU 45 - HD2 LYS 73 far 0 91 0 - 9.4-13.3 HG2 LYS 39 - HG12 ILE 71 far 0 49 0 - 9.5-12.3 HG12 ILE 57 - HD3 LYS 20 far 0 73 0 - 9.6-12.8 HG2 LYS 49 - HD3 LYS 43 far 0 64 0 - 9.9-17.1 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): 11 out of 37 assignments used, quality = 1.00: HE3 LYS 20 + HD2 LYS 20 OK 73 100 80 91 2.3-3.0 3.0=62, 3080/3.0=12...(35) * HE2 LYS 20 + HD3 LYS 20 OK 69 100 75 92 2.3-3.0 3.0=62, 3.9/3069=16...(41) HE2 LYS 43 + HD3 LYS 43 OK 59 71 90 91 2.3-3.0 3.0=62, 3849/2.9=9...(40) HE3 LYS 73 + HD2 LYS 73 OK 45 83 60 91 2.3-3.0 2.9=66, 5198/3.0=20...(27) HE3 LYS 43 + HD2 LYS 43 OK 38 76 55 91 2.3-3.0 3.0=62, 3849/2.9=9...(38) HE2 LYS 20 + HD2 LYS 20 OK 36 100 40 91 2.4-3.0 3.0=62, 3081/3.0=15...(41) HE2 LYS 73 + HD2 LYS 73 OK 36 65 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE3 LYS 73 + HD3 LYS 73 OK 33 82 45 90 2.3-3.0 2.9=66, 5198/3.0=20...(26) HE2 LYS 73 + HD3 LYS 73 OK 33 64 55 93 2.3-3.0 2.9=66, 3.8/5169=18...(31) HE3 LYS 20 + HD3 LYS 20 OK 32 100 35 91 2.4-3.0 3.0=62, 3.9/3069=16...(35) HE3 LYS 43 + HD3 LYS 43 OK 23 88 30 89 2.5-3.0 3.0=62, 1.8/5199=11...(38) HE2 LYS 43 - HD2 LYS 43 poor 19 60 35 91 2.5-3.0 3.0=62, 3849/2.9=9...(40) HE3 LYS 39 - HD2 LYS 43 far 0 57 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 64 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 68 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 99 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 75 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 89 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 98 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 90 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 69 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 52 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 53 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 64 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 82 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 71 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 88 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 70 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 89 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 73 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 75 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3101 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.54 A): 11 out of 37 assignments used, quality = 1.00: HE3 LYS 20 + HD2 LYS 20 OK 73 100 80 91 2.3-3.0 3.0=62, 3080/3.0=12...(35) HE2 LYS 20 + HD3 LYS 20 OK 69 100 75 92 2.3-3.0 3.0=62, 3.9/3069=16...(41) HE2 LYS 43 + HD3 LYS 43 OK 59 71 90 91 2.3-3.0 3.0=62, 3849/2.9=9...(40) HE3 LYS 73 + HD2 LYS 73 OK 45 83 60 91 2.3-3.0 2.9=66, 5198/3.0=20...(27) HE3 LYS 43 + HD2 LYS 43 OK 38 76 55 91 2.3-3.0 3.0=62, 3849/2.9=9...(38) HE2 LYS 20 + HD2 LYS 20 OK 36 100 40 91 2.4-3.0 3.0=62, 3081/3.0=15...(41) HE2 LYS 73 + HD2 LYS 73 OK 36 65 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE3 LYS 73 + HD3 LYS 73 OK 33 82 45 90 2.3-3.0 2.9=66, 5198/3.0=20...(26) HE2 LYS 73 + HD3 LYS 73 OK 33 64 55 93 2.3-3.0 2.9=66, 3.8/5169=18...(31) * HE3 LYS 20 + HD3 LYS 20 OK 32 100 35 91 2.4-3.0 3.0=62, 3.9/3069=16...(35) HE3 LYS 43 + HD3 LYS 43 OK 23 88 30 89 2.5-3.0 3.0=62, 1.8/5199=11...(38) HE2 LYS 43 - HD2 LYS 43 poor 19 60 35 91 2.5-3.0 3.0=62, 3849/2.9=9...(40) HE3 LYS 39 - HD2 LYS 43 far 0 57 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 64 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 68 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 100 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 99 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 75 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 89 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 100 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 98 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 90 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 100 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 69 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 52 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 100 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 53 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 64 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 82 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 71 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 88 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 70 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 89 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 73 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 75 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3105 from cnoeabs.peaks (1.89, 2.96, 41.78 ppm; 4.16 A increased from 3.50 A): 7 out of 38 assignments used, quality = 0.99: HB3 LYS 20 + HE3 LYS 20 OK 85 100 85 100 2.0-4.6 4.8=64, 2.9/3080=32...(60) * HB3 LYS 20 + HE2 LYS 20 OK 60 100 60 100 2.0-4.9 4.8=64, 2.9/3081=40...(57) HB2 LYS 20 + HE2 LYS 20 OK 50 100 50 100 3.6-5.5 4.8=64, 2.9/3081=40...(92) HB3 LYS 73 + HE3 LYS 73 OK 43 66 65 100 2.1-4.6 4.9=61, 5147/3.8=31...(32) HB3 LYS 43 + HE3 LYS 43 OK 35 64 55 100 2.0-4.6 4.7=71, 3.0/3849=29...(42) HB2 LYS 20 + HE3 LYS 20 OK 35 100 35 100 3.6-5.0 4.8=64, 2.9/3081=32...(92) HB2 LYS 73 + HE3 LYS 73 OK 23 65 35 100 3.4-5.3 4.9=61, 5147/3.8=38...(69) HB2 LYS 16 - HE3 LYS 20 poor 18 92 20 - 3.2-8.4 HB2 LYS 43 - HE3 LYS 43 far 7 47 15 - 3.2-4.9 HB2 LYS 43 - HE3 LYS 40 far 7 69 10 - 3.9-8.4 HB2 LYS 43 - HE2 LYS 40 far 7 66 10 - 3.6-7.6 HB3 LYS 16 - HE3 LYS 20 far 5 94 5 - 4.2-9.9 HB2 LYS 16 - HE2 LYS 20 lone 0 92 25 1 3.4-8.7 HB3 LYS 16 - HE2 LYS 20 far 0 94 0 - 4.3-9.9 HB3 LYS 43 - HE2 LYS 40 far 0 86 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 89 0 - 5.0-9.7 HG2 ARG 95 - HE3 LYS 106 far 0 56 0 - 5.9-9.4 HB2 LEU 45 - HE3 LYS 73 far 0 48 0 - 6.2-14.2 HB2 ARG 95 - HE3 LYS 106 far 0 72 0 - 6.4-10.3 HB2 LEU 45 - HE3 LYS 43 far 0 56 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 71 0 - 6.8-10.7 HB2 ARG 95 - HE2 LYS 106 far 0 68 0 - 7.0-11.3 HB3 LYS 44 - HE2 LYS 40 far 0 70 0 - 7.1-11.7 HB ILE 71 - HE3 LYS 73 far 0 64 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 73 0 - 7.5-11.6 HG2 ARG 95 - HE2 LYS 106 far 0 52 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 75 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 61 0 - 7.9-15.4 HB3 LYS 44 - HE3 LYS 43 far 0 50 0 - 8.2-10.7 HB3 LYS 73 - HE3 LYS 43 far 0 76 0 - 8.4-14.0 QE MET 67 - HE2 LYS 40 far 0 89 0 - 9.2-11.4 QE MET 67 - HE3 LYS 43 far 0 66 0 - 9.2-12.7 HG LEU 45 - HE2 LYS 40 far 0 93 0 - 9.2-12.8 HG LEU 45 - HE3 LYS 40 far 0 95 0 - 9.4-12.8 HB3 LYS 43 - HE3 LYS 73 far 0 55 0 - 9.5-16.7 QE MET 67 - HE3 LYS 73 far 0 57 0 - 9.7-13.9 QE MET 67 - HE3 LYS 40 far 0 91 0 - 9.8-11.7 HB2 LYS 43 - HE3 LYS 73 far 0 40 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 3106 from cnoeabs.peaks (1.51, 2.96, 41.78 ppm; 3.65 A increased from 3.25 A): 3 out of 12 assignments used, quality = 0.98: * HG2 LYS 20 + HE2 LYS 20 OK 85 100 85 100 2.8-4.1 3.9=83, 3069/3.0=47...(74) HG2 LYS 43 + HE3 LYS 43 OK 65 72 90 100 2.1-4.2 3.9=81, 3848/1.8=33...(98) HG2 LYS 20 + HE3 LYS 20 OK 55 100 55 100 2.6-4.2 3.9=83, 3069/3.0=47...(74) HG2 LYS 43 - HE2 LYS 40 far 0 94 0 - 4.2-9.5 HG2 LYS 43 - HE3 LYS 40 far 0 96 0 - 4.2-9.6 HG LEU 38 - HE3 LYS 43 far 0 53 0 - 8.0-11.3 HD3 LYS 17 - HE3 LYS 20 far 0 90 0 - 8.0-11.9 HG2 LYS 43 - HE3 LYS 73 far 0 63 0 - 8.1-14.7 HG LEU 38 - HE2 LYS 40 far 0 74 0 - 8.1-11.9 HD3 LYS 17 - HE2 LYS 20 far 0 90 0 - 8.4-11.5 HG LEU 38 - HE3 LYS 40 far 0 76 0 - 9.1-11.7 HG LEU 38 - HE3 LYS 73 far 0 45 0 - 9.4-14.4 Violated in 0 structures by 0.00 A. Peak 3107 from cnoeabs.peaks (1.48, 2.96, 41.78 ppm; 3.59 A increased from 3.02 A): 5 out of 17 assignments used, quality = 1.00: * HG3 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.4-3.7 3.9=78, 3081/1.8=32...(78) HG3 LYS 20 + HE3 LYS 20 OK 75 100 75 100 2.1-3.7 3.9=78, 3081/1.8=40...(78) HG3 LYS 73 + HE3 LYS 73 OK 44 68 65 100 2.1-4.2 3.8=85, 5170/2.9=51...(93) HG2 LYS 106 + HE2 LYS 106 OK 37 46 80 100 2.3-3.8 3.6=99, 2.9/6527=20...(12) HG2 LYS 106 + HE3 LYS 106 OK 23 50 45 100 2.5-4.2 3.6=99, ~6517=20...(14) HG2 LYS 39 - HE3 LYS 43 far 2 41 5 - 3.7-9.2 HB2 LEU 74 - HE3 LYS 73 far 0 57 0 - 3.8-9.7 HG2 LYS 39 - HE2 LYS 40 far 0 58 0 - 5.7-11.5 HG2 LYS 39 - HE3 LYS 40 far 0 61 0 - 6.0-10.9 HB3 LEU 45 - HE3 LYS 73 far 0 57 0 - 7.4-15.1 HG3 LYS 73 - HE3 LYS 43 far 0 78 0 - 7.6-13.7 HB3 LEU 38 - HE2 LYS 40 far 0 74 0 - 8.3-11.8 HB3 LEU 45 - HE3 LYS 43 far 0 66 0 - 8.5-12.5 HG2 LYS 49 - HE3 LYS 73 far 0 37 0 - 8.9-23.4 HB2 LEU 74 - HE3 LYS 43 far 0 66 0 - 9.5-14.4 HB3 LEU 38 - HE3 LYS 40 far 0 76 0 - 9.9-11.7 HB3 LEU 38 - HE3 LYS 43 far 0 53 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 3.00 A increased from 2.40 A): 12 out of 49 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 43 + HE3 LYS 43 OK 76 76 100 100 2.5-3.0 3.0=100 HD2 LYS 43 + HE3 LYS 43 OK 69 69 100 100 2.3-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 67 67 100 100 2.3-3.0 2.9=100 HD3 LYS 73 + HE3 LYS 73 OK 66 66 100 100 2.3-3.0 2.9=100 HG LEU 74 - HE3 LYS 73 far 4 43 10 - 1.9-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 74 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 86 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 76 0 - 4.6-12.8 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 91 0 - 4.9-10.7 HD3 LYS 39 - HE3 LYS 43 far 0 47 0 - 5.1-9.2 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.2-10.6 HD2 LYS 39 - HE3 LYS 43 far 0 44 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 66 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 64 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 97 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 93 0 - 5.5-10.6 HD3 LYS 39 - HE3 LYS 40 far 0 69 0 - 5.6-11.2 HG3 ARG 95 - HE3 LYS 106 far 0 62 0 - 5.6-10.9 HD2 LYS 40 - HE3 LYS 43 far 0 74 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 80 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 89 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 62 0 - 6.1-12.2 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 64 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 83 0 - 6.3-12.3 HD3 LYS 40 - HE3 LYS 43 far 0 72 0 - 6.6-10.3 HD3 LYS 44 - HE3 LYS 43 far 0 53 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 59 0 - 6.9-11.4 HG LEU 74 - HE3 LYS 43 far 0 50 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 65 0 - 7.1-11.7 HG3 ARG 95 - HE2 LYS 106 far 0 57 0 - 7.3-11.8 HD3 LYS 43 - HE3 LYS 73 far 0 66 0 - 7.6-14.7 HD3 LYS 73 - HE3 LYS 43 far 0 76 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 59 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 97 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 97 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 77 0 - 8.9-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 74 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3109 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 3.00 A increased from 2.40 A): 12 out of 49 assignments used, quality = 1.00: * HD3 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 43 + HE3 LYS 43 OK 77 77 100 100 2.5-3.0 3.0=100 HD2 LYS 43 + HE3 LYS 43 OK 71 71 100 100 2.3-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 68 68 100 100 2.3-3.0 2.9=100 HD3 LYS 73 + HE3 LYS 73 OK 67 67 100 100 2.3-3.0 2.9=100 HG LEU 74 - HE3 LYS 73 far 4 40 10 - 1.9-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 70 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 83 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 73 0 - 4.6-12.8 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.9-10.7 HD3 LYS 39 - HE3 LYS 43 far 0 44 0 - 5.1-9.2 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.2-10.6 HD2 LYS 39 - HE3 LYS 43 far 0 41 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 62 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 62 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 98 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 95 0 - 5.5-10.6 HD3 LYS 39 - HE3 LYS 40 far 0 65 0 - 5.6-11.2 HG3 ARG 95 - HE3 LYS 106 far 0 64 0 - 5.6-10.9 HD2 LYS 40 - HE3 LYS 43 far 0 75 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 77 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 86 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 58 0 - 6.1-12.2 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 63 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 80 0 - 6.3-12.3 HD3 LYS 40 - HE3 LYS 43 far 0 74 0 - 6.6-10.3 HD3 LYS 44 - HE3 LYS 43 far 0 50 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 56 0 - 6.9-11.4 HG LEU 74 - HE3 LYS 43 far 0 47 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 61 0 - 7.1-11.7 HG3 ARG 95 - HE2 LYS 106 far 0 60 0 - 7.3-11.8 HD3 LYS 43 - HE3 LYS 73 far 0 67 0 - 7.6-14.7 HD3 LYS 73 - HE3 LYS 43 far 0 77 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 61 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 98 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 98 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 78 0 - 8.9-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 72 0 - 9.7-14.2 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; 3.65 A increased from 3.25 A): 3 out of 12 assignments used, quality = 0.98: HG2 LYS 20 + HE2 LYS 20 OK 85 100 85 100 2.8-4.1 3.9=83, 3069/3.0=47...(74) HG2 LYS 43 + HE3 LYS 43 OK 65 72 90 100 2.1-4.2 3.9=81, 3848/1.8=33...(98) * HG2 LYS 20 + HE3 LYS 20 OK 55 100 55 100 2.6-4.2 3.9=83, 3069/3.0=47...(74) HG2 LYS 43 - HE2 LYS 40 far 0 94 0 - 4.2-9.5 HG2 LYS 43 - HE3 LYS 40 far 0 96 0 - 4.2-9.6 HG LEU 38 - HE3 LYS 43 far 0 53 0 - 8.0-11.3 HD3 LYS 17 - HE3 LYS 20 far 0 90 0 - 8.0-11.9 HG2 LYS 43 - HE3 LYS 73 far 0 63 0 - 8.1-14.7 HG LEU 38 - HE2 LYS 40 far 0 74 0 - 8.1-11.9 HD3 LYS 17 - HE2 LYS 20 far 0 90 0 - 8.4-11.5 HG LEU 38 - HE3 LYS 40 far 0 76 0 - 9.1-11.7 HG LEU 38 - HE3 LYS 73 far 0 45 0 - 9.4-14.4 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (1.48, 2.96, 41.78 ppm; 3.59 A increased from 3.02 A): 5 out of 17 assignments used, quality = 1.00: HG3 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.4-3.7 3.9=78, 3081/1.8=32...(78) * HG3 LYS 20 + HE3 LYS 20 OK 75 100 75 100 2.1-3.7 3.9=78, 3081/1.8=40...(78) HG3 LYS 73 + HE3 LYS 73 OK 44 68 65 100 2.1-4.2 3.8=85, 5170/2.9=51...(93) HG2 LYS 106 + HE2 LYS 106 OK 37 46 80 100 2.3-3.8 3.6=99, 2.9/6527=20...(12) HG2 LYS 106 + HE3 LYS 106 OK 23 50 45 100 2.5-4.2 3.6=99, ~6517=20...(14) HG2 LYS 39 - HE3 LYS 43 far 2 41 5 - 3.7-9.2 HB2 LEU 74 - HE3 LYS 73 far 0 57 0 - 3.8-9.7 HG2 LYS 39 - HE2 LYS 40 far 0 58 0 - 5.7-11.5 HG2 LYS 39 - HE3 LYS 40 far 0 61 0 - 6.0-10.9 HB3 LEU 45 - HE3 LYS 73 far 0 57 0 - 7.4-15.1 HG3 LYS 73 - HE3 LYS 43 far 0 78 0 - 7.6-13.7 HB3 LEU 38 - HE2 LYS 40 far 0 74 0 - 8.3-11.8 HB3 LEU 45 - HE3 LYS 43 far 0 66 0 - 8.5-12.5 HG2 LYS 49 - HE3 LYS 73 far 0 37 0 - 8.9-23.4 HB2 LEU 74 - HE3 LYS 43 far 0 66 0 - 9.5-14.4 HB3 LEU 38 - HE3 LYS 40 far 0 76 0 - 9.9-11.7 HB3 LEU 38 - HE3 LYS 43 far 0 53 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 3.00 A increased from 2.40 A): 12 out of 49 assignments used, quality = 1.00: * HD2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 96 96 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 43 + HE3 LYS 43 OK 76 76 100 100 2.5-3.0 3.0=100 HD2 LYS 43 + HE3 LYS 43 OK 69 69 100 100 2.3-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 67 67 100 100 2.3-3.0 2.9=100 HD3 LYS 73 + HE3 LYS 73 OK 66 66 100 100 2.3-3.0 2.9=100 HG LEU 74 - HE3 LYS 73 far 4 43 10 - 1.9-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 74 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 86 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 76 0 - 4.6-12.8 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 91 0 - 4.9-10.7 HD3 LYS 39 - HE3 LYS 43 far 0 47 0 - 5.1-9.2 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.2-10.6 HD2 LYS 39 - HE3 LYS 43 far 0 44 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 66 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 64 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 97 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 93 0 - 5.5-10.6 HD3 LYS 39 - HE3 LYS 40 far 0 69 0 - 5.6-11.2 HG3 ARG 95 - HE3 LYS 106 far 0 62 0 - 5.6-10.9 HD2 LYS 40 - HE3 LYS 43 far 0 74 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 80 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 89 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 62 0 - 6.1-12.2 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 64 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 83 0 - 6.3-12.3 HD3 LYS 40 - HE3 LYS 43 far 0 72 0 - 6.6-10.3 HD3 LYS 44 - HE3 LYS 43 far 0 53 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 59 0 - 6.9-11.4 HG LEU 74 - HE3 LYS 43 far 0 50 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 65 0 - 7.1-11.7 HG3 ARG 95 - HE2 LYS 106 far 0 57 0 - 7.3-11.8 HD3 LYS 43 - HE3 LYS 73 far 0 66 0 - 7.6-14.7 HD3 LYS 73 - HE3 LYS 43 far 0 76 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 59 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 97 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 97 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 77 0 - 8.9-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 74 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 3.00 A increased from 2.40 A): 12 out of 49 assignments used, quality = 1.00: HD3 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 20 + HE3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 20 + HE2 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 43 + HE3 LYS 43 OK 77 77 100 100 2.5-3.0 3.0=100 HD2 LYS 43 + HE3 LYS 43 OK 71 71 100 100 2.3-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 68 68 100 100 2.3-3.0 2.9=100 HD3 LYS 73 + HE3 LYS 73 OK 67 67 100 100 2.3-3.0 2.9=100 HG LEU 74 - HE3 LYS 73 far 4 40 10 - 1.9-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 70 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 83 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 73 0 - 4.6-12.8 HD2 LYS 16 - HE3 LYS 20 far 0 100 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.9-10.7 HD3 LYS 39 - HE3 LYS 43 far 0 44 0 - 5.1-9.2 HD2 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.2-10.6 HD2 LYS 39 - HE3 LYS 43 far 0 41 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 62 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 62 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 98 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 95 0 - 5.5-10.6 HD3 LYS 39 - HE3 LYS 40 far 0 65 0 - 5.6-11.2 HG3 ARG 95 - HE3 LYS 106 far 0 64 0 - 5.6-10.9 HD2 LYS 40 - HE3 LYS 43 far 0 75 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 77 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 100 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 86 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 58 0 - 6.1-12.2 HD3 LYS 16 - HE3 LYS 20 far 0 100 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 63 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 80 0 - 6.3-12.3 HD3 LYS 40 - HE3 LYS 43 far 0 74 0 - 6.6-10.3 HD3 LYS 44 - HE3 LYS 43 far 0 50 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 56 0 - 6.9-11.4 HG LEU 74 - HE3 LYS 43 far 0 47 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 61 0 - 7.1-11.7 HG3 ARG 95 - HE2 LYS 106 far 0 60 0 - 7.3-11.8 HD3 LYS 43 - HE3 LYS 73 far 0 67 0 - 7.6-14.7 HD3 LYS 73 - HE3 LYS 43 far 0 77 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 61 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 98 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 98 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 78 0 - 8.9-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 72 0 - 9.7-14.2 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 2.7-2.8 2.9=100 HE ARG 118 - HA GLU 21 far 0 100 0 - 4.5-10.4 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): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 21 + HA GLU 21 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 GLU 21 + HA GLU 21 OK 72 92 85 92 2.6-3.9 1151/2.9=45, 4.0=40...(14) HG3 GLU 21 - HA GLU 21 far 4 87 5 - 2.2-3.8 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 2.4-3.0 3.0=100 HB VAL 22 - HA GLU 21 far 0 90 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 3126 from cnoeabs.peaks (2.11, 3.96, 58.89 ppm; 2.98 A): 2 out of 3 assignments used, quality = 0.98: HB2 GLU 21 + HA GLU 21 OK 92 92 100 100 2.5-2.7 3.0=100 * HG2 GLU 21 + HA GLU 21 OK 79 100 85 92 2.6-3.9 1153/2.9=46, 4.0=41...(14) HG3 GLU 21 - HA GLU 21 far 5 100 5 - 2.2-3.8 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (2.10, 3.96, 58.89 ppm; 2.98 A): 2 out of 3 assignments used, quality = 0.97: HB2 GLU 21 + HA GLU 21 OK 87 87 100 100 2.5-2.7 3.0=100 HG2 GLU 21 + HA GLU 21 OK 78 100 85 92 2.6-3.9 1154/2.9=46, 4.0=41...(14) ! HG3 GLU 21 - HA GLU 21 far 5 100 5 - 2.2-3.8 Violated in 0 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (7.67, 2.12, 29.43 ppm; 3.74 A increased from 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 21 + HB2 GLU 21 OK 100 100 100 100 3.5-3.6 1152/1.8=79, 4.1=78...(13) HE ARG 118 - HB2 GLU 21 far 15 100 15 - 3.4-8.6 Violated in 0 structures by 0.00 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 2.5-2.7 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 - 5.8-6.3 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 2.2-2.7 1152=100, 3128/1.8=77...(13) HE ARG 118 - HB3 GLU 21 far 0 100 0 - 4.7-10.0 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 2.4-3.0 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 3 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 79 92 100 85 2.3-2.6 3.0=67, 1151/1152=28...(8) HG3 GLU 21 + HB3 GLU 21 OK 67 87 90 85 2.3-3.0 3.0=67, 5.0/1152=13...(10) 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 3 assignments used, quality = 1.00: HB2 GLU 21 + HB3 GLU 21 OK 92 92 100 100 1.8-1.8 1.8=100 * HG2 GLU 21 + HB3 GLU 21 OK 84 100 100 84 2.3-2.6 3.0=64, 1153/1152=27...(8) HG3 GLU 21 + HB3 GLU 21 OK 76 100 90 84 2.3-3.0 3.0=64, 5.0/1152=13...(10) 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 3 assignments used, quality = 0.99: HB2 GLU 21 + HB3 GLU 21 OK 87 87 100 100 1.8-1.8 1.8=100 HG2 GLU 21 + HB3 GLU 21 OK 84 100 100 84 2.3-2.6 3.0=64, 1154/1152=27...(8) * HG3 GLU 21 + HB3 GLU 21 OK 76 100 90 84 2.3-3.0 3.0=64, 5.0/1152=13...(10) 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 100 100 100 100 2.1-2.8 1153=100, 1152/3.0=59...(10) H GLU 21 + HG3 GLU 21 OK 95 100 95 100 2.6-3.9 1153/1.8=88, 1152/3.0=59...(13) HE ARG 118 - HG3 GLU 21 far 5 100 5 - 3.8-9.2 HE ARG 118 - HG2 GLU 21 far 0 100 0 - 4.7-10.6 Violated in 0 structures by 0.00 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 + HG3 GLU 21 OK 100 100 100 100 2.2-3.8 4.0=83, 3127/1.8=44...(18) * HA GLU 21 + HG2 GLU 21 OK 100 100 100 100 2.6-3.9 4.0=83, 2.9/1153=70...(14) 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 2.3-2.6 3.0=100 HB3 GLU 21 + HG3 GLU 21 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 22 - HG3 GLU 21 far 0 89 0 - 4.8-8.2 HB VAL 22 - HG2 GLU 21 far 0 90 0 - 6.6-8.2 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 + HG2 GLU 21 OK 100 100 100 100 2.1-2.8 1154=100, 1152/3.0=59...(10) * H GLU 21 + HG3 GLU 21 OK 95 100 95 100 2.6-3.9 1153/1.8=88, 1152/3.0=59...(13) HE ARG 118 - HG3 GLU 21 far 5 100 5 - 3.8-9.2 HE ARG 118 - HG2 GLU 21 far 0 100 0 - 4.7-10.6 Violated in 0 structures by 0.00 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 2.2-3.8 4.0=83, 3127/1.8=44...(18) HA GLU 21 + HG2 GLU 21 OK 100 100 100 100 2.6-3.9 4.0=83, 2.9/1154=70...(14) 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 2.3-3.0 3.0=100 HB3 GLU 21 + HG2 GLU 21 OK 100 100 100 100 2.3-2.6 3.0=100 HB VAL 22 - HG3 GLU 21 far 0 90 0 - 4.8-8.2 HB VAL 22 - HG2 GLU 21 far 0 89 0 - 6.6-8.2 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): 1 out of 3 assignments used, quality = 1.00: * HB VAL 22 + HA VAL 22 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 GLU 21 - HA VAL 22 far 0 90 0 - 4.5-5.7 HB2 LYS 17 - HA VAL 22 far 0 94 0 - 9.6-10.2 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 - 6.1-6.5 QG2 ILE 5 - HA VAL 22 far 0 84 0 - 6.5-7.1 HG13 ILE 5 - HA VAL 22 far 0 96 0 - 7.5-8.3 HG13 ILE 57 - HA VAL 22 far 0 99 0 - 9.3-10.1 QD1 LEU 14 - HA VAL 22 far 0 99 0 - 9.6-10.2 QG2 ILE 15 - HA VAL 22 far 0 97 0 - 9.7-10.2 QG2 ILE 57 - HA VAL 22 far 0 81 0 - 9.7-10.4 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 2.3-2.5 3.2=100 QD1 ILE 71 - HB3 SER 72 far 0 54 0 - 5.6-6.2 QD1 ILE 71 - HB2 SER 72 far 0 54 0 - 6.0-7.1 QD1 ILE 5 - HA VAL 22 far 0 81 0 - 7.1-8.0 QD1 LEU 4 - HB2 SER 72 far 0 81 0 - 8.1-9.7 QD1 LEU 4 - HB3 SER 72 far 0 81 0 - 8.1-8.8 QD1 ILE 54 - HA VAL 22 far 0 100 0 - 9.8-10.4 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 3 assignments used, quality = 1.00: * HA VAL 22 + HB VAL 22 OK 100 100 100 100 2.4-2.4 3.0=100 HA ARG 95 + HB3 ARG 95 OK 34 34 100 100 2.4-2.5 3.0=100 HA3 GLY 26 - HB VAL 22 far 0 98 0 - 6.9-8.0 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 QG2 ILE 5 - HB VAL 22 far 0 84 0 - 5.5-6.2 QG2 VAL 117 - HB VAL 22 far 0 90 0 - 5.7-6.5 HG13 ILE 5 - HB VAL 22 far 0 96 0 - 5.9-6.8 HG13 ILE 57 - HB VAL 22 far 0 99 0 - 7.3-8.5 QG2 ILE 57 - HB VAL 22 far 0 81 0 - 8.2-9.1 QG2 ILE 15 - HB VAL 22 far 0 97 0 - 8.5-9.0 QD1 LEU 14 - HB VAL 22 far 0 99 0 - 9.5-10.3 QG2 THR 9 - HB VAL 22 far 0 94 0 - 9.5-10.3 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 3 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 0 81 0 - 6.4-7.0 QD1 ILE 54 - HB VAL 22 far 0 100 0 - 8.1-8.6 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 2 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 - 6.2-7.9 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (1.98, 0.85, 19.94 ppm; 3.32 A): 1 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 far 0 90 0 - 4.2-5.6 HB2 LYS 17 - QG2 VAL 22 far 0 94 0 - 7.3-7.7 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 5 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 - 6.6-7.1 QD1 ILE 54 - QG2 VAL 22 far 0 100 0 - 7.1-7.5 HG13 ILE 15 - QG2 VAL 22 far 0 100 0 - 7.9-9.1 QD1 LEU 4 - QG2 VAL 22 far 0 99 0 - 9.3-9.9 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 3 assignments used, quality = 1.00: * HA VAL 22 + QG1 VAL 22 OK 100 100 100 100 2.3-2.5 3.2=100 HA3 GLY 26 - QG1 VAL 22 far 0 98 0 - 7.6-8.3 HA GLN 122 - QG1 VAL 22 far 0 100 0 - 8.5-9.9 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 58 90 90 72 2.9-4.5 1.8/10867=44...(5) HB2 LYS 17 - QG1 VAL 22 far 0 94 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (0.85, 0.64, 20.11 ppm; 2.96 A): 1 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 far 0 90 0 - 3.3-3.8 QG2 ILE 5 - QG1 VAL 22 far 0 84 0 - 3.7-4.2 HG13 ILE 5 - QG1 VAL 22 far 0 96 0 - 4.9-5.7 HG13 ILE 57 - QG1 VAL 22 far 0 99 0 - 5.4-6.0 QG2 ILE 57 - QG1 VAL 22 far 0 81 0 - 6.1-6.6 QD1 LEU 14 - QG1 VAL 22 far 0 99 0 - 6.3-6.9 QG2 ILE 15 - QG1 VAL 22 far 0 97 0 - 6.3-6.9 QG2 THR 9 - QG1 VAL 22 far 0 94 0 - 6.8-7.1 QG2 VAL 107 - QG1 VAL 22 far 0 81 0 - 8.6-9.3 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 2.4-3.0 3.0=100 * HA ASN 24 + HB2 ASN 24 OK 100 100 100 100 2.6-3.0 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 + HB2 ASN 24 OK 100 100 100 100 2.1-3.1 3.5=100 HD21 ASN 24 + HB3 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 3.4-3.9 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 2.4-3.0 3.0=100 HA ASN 24 + HB2 ASN 24 OK 100 100 100 100 2.6-3.0 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 + HB2 ASN 24 OK 100 100 100 100 2.1-3.1 3.5=100 * HD21 ASN 24 + HB3 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 3.4-3.9 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 2.7-3.8 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 2 assignments used, quality = 1.00: * HB2 GLN 25 + HG2 GLN 25 OK 100 100 100 100 2.4-2.7 3.0=100 HG3 GLU 128 - HG2 GLN 25 far 0 97 0 - 9.6-15.4 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 2.2-3.0 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 - 5.7-12.5 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 2.4-3.5 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 3.5-4.1 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 2.1-3.8 4.0=100 HA GLN 25 - HG3 GLN 122 far 0 92 0 - 8.4-12.5 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 - 8.1-12.2 HG3 GLU 128 - HG3 GLN 25 far 0 97 0 - 8.3-14.9 HG2 GLU 128 - HG3 GLN 122 far 0 87 0 - 8.8-14.6 HG2 GLU 128 - HG3 GLN 25 far 0 97 0 - 9.4-15.4 HG3 GLU 128 - HG3 GLN 122 far 0 87 0 - 9.9-14.2 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 2 assignments used, quality = 1.00: * HB3 GLN 25 + HG3 GLN 25 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 25 - HG3 GLN 122 far 0 92 0 - 7.4-10.9 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 - 4.6-7.1 HG2 GLN 25 - HG3 GLN 122 far 0 92 0 - 5.7-12.5 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 2.4-3.6 3.5=100 HE21 GLN 25 - HG3 GLN 122 far 0 92 0 - 7.7-11.4 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 3.6-4.1 3.5=100 HE22 GLN 25 - HG3 GLN 122 far 0 92 0 - 6.2-11.3 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 - 8.5-9.8 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 3 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 - 6.9-7.7 HA GLN 122 - HA2 GLY 26 far 0 94 0 - 9.9-12.1 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 2.3-2.9 3.0=100 H VAL 22 - HA3 GLY 26 far 0 70 0 - 8.4-10.5 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 2.5-2.7 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 3.0-3.0 3.0=100 HG2 GLN 25 - HA TYR 27 far 0 92 0 - 7.4-8.5 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 2.7-3.1 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 3.5-3.9 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 2.5-2.7 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 far 0 92 0 - 6.5-7.8 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 2.3-2.4 2.5=100 QD PHE 120 - HB2 TYR 27 far 0 100 0 - 9.5-10.1 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 2.3-2.8 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 3.0-3.0 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 2.4-2.7 2.5=100 QD PHE 120 - HB3 TYR 27 far 0 100 0 - 9.7-10.4 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 4.4-4.4 4.4=100 HB2 TYR 76 - QE TYR 27 far 0 95 0 - 9.4-10.8 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 3.6-6.5 3.0/4579=92, 3.0/9221=85...(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 - 6.7-7.8 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 2.5-3.2 4.4=100 H SER 126 - QD TYR 27 far 0 59 0 - 9.6-10.9 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 2.3-2.4 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 2.4-2.7 2.5=100 HG2 GLN 25 + QD TYR 27 OK 77 77 100 100 3.8-5.6 3.0/4571=87, 3.0/4578=83...(11) 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 2.8-2.8 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 2.3-3.0 3.0=100 HG3 GLU 52 - HA GLN 28 far 0 65 0 - 5.8-10.2 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 2.5-3.0 3.0=100 HB2 LYS 19 - HA GLN 28 far 0 99 0 - 8.3-9.1 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 2.2-3.6 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 2.3-4.0 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 3 assignments used, quality = 1.00: * H GLN 28 + HB2 GLN 28 OK 100 100 100 100 2.2-3.0 4.0=100 H PHE 51 - HB2 GLN 28 far 0 100 0 - 9.2-12.4 H PHE 51 - HB2 GLU 47 far 0 94 0 - 9.8-13.1 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 2.3-3.0 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 1 assignment used, quality = 1.00: * HB3 GLN 28 + HB2 GLN 28 OK 100 100 100 100 1.8-1.8 1.8=100 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 3 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 - 8.6-9.7 HB3 GLN 122 - HB VAL 117 far 0 26 0 - 8.9-11.2 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 4 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 far 14 95 15 - 3.2-7.6 HB2 MET 42 - HB2 GLU 47 far 0 81 0 - 8.2-8.8 HG2 GLU 48 - HB2 GLN 28 far 0 100 0 - 9.0-14.8 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 3.5-5.4 4.5=100 HZ PHE 120 - HB VAL 117 far 0 25 0 - 7.9-8.8 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 1 assignment used, quality = 1.00: * H GLN 28 + HB3 GLN 28 OK 100 100 100 100 2.2-3.6 4.0=100 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 2.5-3.0 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 0 65 0 - 5.7-10.1 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 2.3-3.0 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 - 9.4-15.5 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 2.6-4.1 1182=100, 1183/1.8=89...(6) H PHE 51 - HG2 GLN 28 far 0 100 0 - 9.3-12.6 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 2.2-3.6 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 - 3.9-8.4 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 2.3-3.0 3.0=100 HB2 LYS 19 - HG2 GLN 28 far 0 99 0 - 9.4-12.2 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 2 assignments used, quality = 1.00: * HG3 GLN 28 + HG2 GLN 28 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 48 - HG2 GLN 28 far 0 100 0 - 8.6-15.8 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 3.4-4.1 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 2.6-4.3 5.2=100 H PHE 51 - HG3 GLN 28 far 0 100 0 - 7.8-12.6 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 2.3-4.0 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 0 65 0 - 4.3-8.3 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 HB2 LEU 64 - HB2 MET 67 far 0 59 0 - 5.3-5.8 HB VAL 32 - HB2 MET 67 far 0 58 0 - 5.7-6.4 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 2.1-3.5 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 3.4-4.1 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 2.9-2.9 3.0=100 H ILE 5 - HA VAL 29 far 0 90 0 - 7.4-8.1 H ILE 18 - HA VAL 29 far 0 94 0 - 10.0-10.4 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 4 assignments used, quality = 1.00: * HB VAL 29 + HA VAL 29 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 41 - HA VAL 29 far 0 99 0 - 9.0-9.9 HB3 GLU 52 - HA VAL 29 far 0 100 0 - 9.8-10.9 HB2 GLU 41 - HA VAL 29 far 0 100 0 - 9.9-11.0 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 2.2-2.4 3.2=100 HG13 ILE 54 - HA VAL 29 far 0 77 0 - 8.1-8.7 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 2.3-2.5 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 2 assignments used, quality = 1.00: * H VAL 29 + HB VAL 29 OK 100 100 100 100 2.5-2.8 1188=100, 1189/2.1=70 H MET 42 - HB3 LYS 40 far 0 87 0 - 5.2-5.7 Violated in 0 structures by 0.00 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 3.0-3.0 3.0=100 HA ILE 56 - HB VAL 29 far 0 81 0 - 7.4-8.0 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 38 - HB3 LYS 40 far 0 82 0 - 6.9-7.4 QD1 LEU 70 - HB3 LYS 40 far 0 76 0 - 8.1-8.6 QD2 LEU 70 - HB3 LYS 40 far 0 82 0 - 9.0-9.6 HG13 ILE 54 - HB VAL 29 far 0 77 0 - 10.0-10.5 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 1 assignment used, quality = 1.00: * QG1 VAL 29 + HB VAL 29 OK 100 100 100 100 2.1-2.1 2.1=100 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 2.7-3.1 1189=100, 1188/2.1=82...(6) H ILE 18 - QG2 VAL 29 far 0 94 0 - 7.1-7.7 H ILE 5 - QG2 VAL 29 far 0 90 0 - 7.7-8.3 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 2.2-2.4 3.2=100 HA ILE 56 - QG2 VAL 29 far 0 81 0 - 6.3-6.8 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 7 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 - 5.9-6.5 HB3 ARG 95 - QG2 VAL 104 far 0 37 0 - 7.0-7.6 HB3 GLU 52 - QG2 VAL 29 far 0 100 0 - 8.8-10.2 HB2 LYS 65 - QG2 VAL 104 far 0 32 0 - 9.1-9.9 HB3 GLU 41 - QG2 VAL 29 far 0 99 0 - 9.8-10.6 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 6 assignments used, quality = 1.00: * QG1 VAL 29 + QG2 VAL 29 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 64 - QG2 VAL 104 far 0 44 0 - 4.7-5.2 QD2 LEU 64 - QG2 VAL 104 far 0 37 0 - 4.7-5.3 QD1 LEU 81 - QG2 VAL 104 far 0 51 0 - 5.7-6.1 QG2 ILE 71 - QG2 VAL 104 far 0 37 0 - 7.6-8.3 QD1 LEU 114 - QG2 VAL 29 far 0 99 0 - 9.1-9.8 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 3.8-3.9 4.0=100 H ILE 18 - QG1 VAL 29 far 0 94 0 - 7.0-7.6 H ILE 5 - QG1 VAL 29 far 0 90 0 - 8.1-8.8 H ASN 59 - QG1 VAL 29 far 0 65 0 - 9.3-10.1 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 2.3-2.5 3.2=100 HA ILE 56 - QG1 VAL 29 far 0 81 0 - 5.1-5.7 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 - 8.5-9.5 HB2 GLU 41 - QG1 VAL 29 far 0 100 0 - 9.0-10.2 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 - 9.1-9.6 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 3 assignments used, quality = 1.00: * HB2 ARG 30 + HA ARG 30 OK 100 100 100 100 2.4-2.7 3.0=100 HG LEU 114 - HA ASP 109 far 0 98 0 - 7.7-8.2 HD2 LYS 115 - HA ASP 109 far 0 99 0 - 9.4-10.9 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 3.0-3.0 3.0=100 HG2 ARG 30 + HA ARG 30 OK 70 70 100 100 2.8-3.9 3.9=100 HB3 LEU 14 - HA ASP 109 far 0 71 0 - 8.9-9.6 HD3 LYS 17 - HA ASP 109 far 0 98 0 - 9.7-10.2 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 2.8-3.9 3.9=100 HB3 ARG 30 + HA ARG 30 OK 70 70 100 100 3.0-3.0 3.0=100 HB3 LEU 14 - HA ASP 109 far 0 99 0 - 8.9-9.6 HD3 LYS 17 - HA ASP 109 far 0 55 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (1.45, 4.74, 53.79 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.2-3.9 3.9=100 HG12 ILE 57 - HA ARG 30 far 0 96 0 - 5.9-7.2 HG3 LYS 44 - HA ARG 30 far 0 81 0 - 8.0-10.1 HB3 LEU 4 - HA ARG 30 far 0 77 0 - 9.2-10.1 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 3.5-3.8 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 2.4-2.7 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 3 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 2.5-3.0 2.8=100 HG LEU 38 - HB2 ARG 30 far 0 97 0 - 8.7-9.9 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 2.5-3.0 2.8=100 HB3 ARG 30 + HB2 ARG 30 OK 70 70 100 100 1.8-1.8 1.8=100 HB3 LEU 45 - HB2 ARG 30 far 0 90 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 3357 from cnoeabs.peaks (1.45, 1.65, 32.39 ppm; 4.00 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.3-3.0 2.8=100 HG12 ILE 57 - HB2 ARG 30 far 0 96 0 - 6.3-7.3 HG3 LYS 44 - HB2 ARG 30 far 0 81 0 - 6.5-8.5 HB3 LEU 4 - HB2 ARG 30 far 0 77 0 - 7.5-8.8 HB3 LEU 38 - HB2 ARG 30 far 0 94 0 - 8.0-9.1 HB2 LEU 4 - HB2 ARG 30 far 0 77 0 - 8.9-10.3 HG LEU 4 - HB2 ARG 30 far 0 100 0 - 9.9-11.3 HG2 LYS 49 - HB2 ARG 30 far 0 98 0 - 10.0-20.2 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 2.2-3.8 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 2.3-3.7 3.6=100 HE2 LYS 44 - HB2 ARG 30 far 0 100 0 - 6.5-12.0 HE3 LYS 44 - HB2 ARG 30 far 0 100 0 - 8.0-11.6 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 2.3-2.8 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 3.0-3.0 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 - 8.1-8.9 HD2 LYS 49 - HB3 ARG 30 far 0 100 0 - 9.4-21.5 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): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.4-3.0 2.8=100 HG12 ILE 57 - HB3 ARG 30 far 0 96 0 - 5.1-6.3 HB3 LEU 4 - HB3 ARG 30 far 0 77 0 - 6.3-7.3 HG3 LYS 44 - HB3 ARG 30 far 0 81 0 - 6.9-9.6 HB2 LEU 4 - HB3 ARG 30 far 0 77 0 - 7.9-8.9 HB3 LEU 38 - HB3 ARG 30 far 0 94 0 - 8.4-9.5 HG LEU 4 - HB3 ARG 30 far 0 100 0 - 8.8-9.9 HG2 LYS 49 - HB3 ARG 30 far 0 98 0 - 9.6-20.2 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 3.4-4.2 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 2.6-4.2 3.6=100 HE2 LYS 44 - HB3 ARG 30 far 0 100 0 - 6.7-12.8 HE3 LYS 44 - HB3 ARG 30 far 0 100 0 - 7.9-12.5 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 2.5-4.2 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 2.8-3.9 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 5 assignments used, quality = 1.00: * HB2 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.5-3.0 2.8=100 HD2 LYS 49 - HG2 ARG 30 far 0 100 0 - 7.3-20.4 HD3 LYS 49 - HG2 ARG 30 far 0 100 0 - 8.5-20.2 HB2 GLU 52 - HG2 ARG 30 far 0 100 0 - 8.6-10.4 HB ILE 5 - HG2 ARG 30 far 0 96 0 - 8.7-10.1 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 9 assignments used, quality = 1.00: * HG3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 44 - HG2 ARG 30 far 0 81 0 - 6.1-9.2 HG12 ILE 57 - HG2 ARG 30 far 0 96 0 - 6.3-8.2 HB3 LEU 4 - HG2 ARG 30 far 0 77 0 - 6.8-8.2 HG2 LYS 49 - HG2 ARG 30 far 0 98 0 - 7.7-19.1 HB2 LEU 4 - HG2 ARG 30 far 0 77 0 - 8.4-9.8 HG LEU 4 - HG2 ARG 30 far 0 100 0 - 8.9-10.3 HG3 LYS 49 - HG2 ARG 30 far 0 98 0 - 9.1-18.5 HB3 LEU 38 - HG2 ARG 30 far 0 94 0 - 9.9-11.4 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 HE2 LYS 44 - HG2 ARG 30 far 0 100 0 - 5.2-12.3 HE3 LYS 44 - HG2 ARG 30 far 0 100 0 - 6.3-12.3 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 2.7-4.5 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 2.2-3.9 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 5 assignments used, quality = 1.00: * HB2 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.3-3.0 2.8=100 HD2 LYS 49 - HG3 ARG 30 far 0 100 0 - 8.1-19.9 HB2 GLU 52 - HG3 ARG 30 far 0 100 0 - 8.6-10.9 HD3 LYS 49 - HG3 ARG 30 far 0 100 0 - 9.2-20.0 HB ILE 5 - HG3 ARG 30 far 0 96 0 - 9.2-11.1 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 2.4-3.0 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 - 9.5-12.3 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 2.4-3.0 2.8=100 HB3 LEU 45 - HG3 ARG 30 far 0 90 0 - 7.5-11.2 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 HE2 LYS 44 - HG3 ARG 30 far 5 100 5 - 4.3-12.3 HE3 LYS 44 - HG3 ARG 30 far 0 100 0 - 5.7-12.2 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 4 assignments used, quality = 1.00: * HB2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.2-3.8 3.6=100 HD2 LYS 49 - HD2 ARG 30 far 0 100 0 - 7.2-21.6 HD3 LYS 49 - HD2 ARG 30 far 0 100 0 - 8.0-21.1 HB2 GLU 52 - HD2 ARG 30 far 0 100 0 - 8.2-12.4 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 = 0.91: * HB3 ARG 30 + HD2 ARG 30 OK 70 100 70 100 3.4-4.2 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 - 9.0-13.0 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 38 70 55 100 3.4-4.2 3.6=100 HB3 LEU 45 - HD2 ARG 30 far 0 90 0 - 7.9-11.6 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 9 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 - 6.0-8.0 HB3 LEU 4 - HD2 ARG 30 far 0 77 0 - 7.6-10.4 HG12 ILE 57 - HD2 ARG 30 far 0 96 0 - 7.8-9.3 HG2 LYS 49 - HD2 ARG 30 far 0 98 0 - 8.0-19.8 HB3 LEU 38 - HD2 ARG 30 far 0 94 0 - 8.7-12.6 HB2 LEU 4 - HD2 ARG 30 far 0 77 0 - 9.2-12.0 HG3 LYS 49 - HD2 ARG 30 far 0 98 0 - 9.3-19.8 HG LEU 4 - HD2 ARG 30 far 0 100 0 - 9.3-12.6 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 - 5.9-10.5 HE3 LYS 44 - HD2 ARG 30 far 0 100 0 - 6.7-10.2 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 5 assignments used, quality = 1.00: * HB2 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.3-3.7 3.6=100 HD2 LYS 49 - HD3 ARG 30 far 0 100 0 - 7.8-20.0 HD3 LYS 49 - HD3 ARG 30 far 0 100 0 - 8.7-19.9 HB ILE 5 - HD3 ARG 30 far 0 96 0 - 9.2-12.5 HB2 GLU 52 - HD3 ARG 30 far 0 100 0 - 9.4-11.6 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 3 assignments used, quality = 1.00: * HB3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.6-4.2 3.6=100 HG2 ARG 30 + HD3 ARG 30 OK 70 70 100 100 2.3-3.0 3.0=100 HG LEU 38 - HD3 ARG 30 far 0 97 0 - 8.7-12.7 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 3 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 52 70 75 100 2.6-4.2 3.6=100 HB3 LEU 45 - HD3 ARG 30 far 0 90 0 - 8.1-12.2 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 9 assignments used, quality = 1.00: * HG3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 44 - HD3 ARG 30 far 0 81 0 - 4.7-9.0 HB3 LEU 4 - HD3 ARG 30 far 0 77 0 - 7.1-10.1 HG12 ILE 57 - HD3 ARG 30 far 0 96 0 - 7.4-10.1 HG2 LYS 49 - HD3 ARG 30 far 0 98 0 - 8.1-19.8 HB3 LEU 38 - HD3 ARG 30 far 0 94 0 - 8.6-12.2 HB2 LEU 4 - HD3 ARG 30 far 0 77 0 - 8.6-11.7 HG LEU 4 - HD3 ARG 30 far 0 100 0 - 9.1-12.1 HG3 LYS 49 - HD3 ARG 30 far 0 98 0 - 9.6-18.6 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 2.5-3.0 3.0=100 HB3 ASP 31 + HA ASP 31 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 41 - HA ASP 31 far 0 96 0 - 5.8-8.9 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 2.3-3.0 3.0=100 HB2 ASP 31 + HA ASP 31 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 41 - HA ASP 31 far 0 94 0 - 5.8-8.9 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 96 100 100 96 2.9-3.8 4.1=81, 1202/1.8=67, 4.6/180=38 H ASP 31 + HB3 ASP 31 OK 87 100 100 87 2.2-3.7 4.1=81, 1201/1.8=19, 4.6/7443=14 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 2.5-3.0 3.0=100 HA ASP 31 + HB3 ASP 31 OK 100 100 100 100 2.3-3.0 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 + HB2 ASP 31 OK 96 100 100 96 2.9-3.8 4.1=81, 1202/1.8=67, 4.6/181=38 * H ASP 31 + HB3 ASP 31 OK 87 100 100 87 2.2-3.7 4.1=81, 1201/1.8=19, 4.6/7444=14 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 2.3-3.0 3.0=100 HA ASP 31 + HB2 ASP 31 OK 100 100 100 100 2.5-3.0 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 1 assignment used, quality = 1.00: * HB VAL 32 + HA VAL 32 OK 100 100 100 100 3.0-3.0 3.0=100 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 2 assignments used, quality = 1.00: * QG1 VAL 32 + HA VAL 32 OK 100 100 100 100 2.3-2.4 3.2=100 HG13 ILE 57 - HA VAL 32 far 0 96 0 - 9.4-10.2 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 4 assignments used, quality = 1.00: * QG2 VAL 32 + HA VAL 32 OK 100 100 100 100 2.2-2.5 3.2=100 QD1 ILE 15 - HA VAL 32 far 0 100 0 - 8.1-9.4 QG2 ILE 54 - HA VAL 32 far 0 70 0 - 8.4-9.0 QD1 LEU 45 - HA VAL 32 far 0 94 0 - 9.8-10.5 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 2.6-2.9 3.9=100 H GLN 62 - HB VAL 32 far 0 97 0 - 9.3-10.1 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 - 8.2-8.9 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 - 8.0-8.8 QG2 THR 9 - HB VAL 32 far 0 99 0 - 8.9-9.5 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 7 assignments used, quality = 1.00: * QG2 VAL 32 + HB VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 54 - HB VAL 32 far 0 70 0 - 7.8-8.4 QD1 ILE 15 - HB VAL 32 far 0 100 0 - 7.8-8.6 QD1 LEU 45 - HB VAL 32 far 0 94 0 - 8.4-9.2 QG2 ILE 7 - HB VAL 32 far 0 61 0 - 9.5-10.2 QD1 LEU 80 - HB VAL 32 far 0 87 0 - 9.6-10.2 QD1 ILE 7 - HB VAL 32 far 0 99 0 - 9.9-10.5 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 3.8-4.0 4.0=100 H GLN 62 - QG1 VAL 32 far 0 97 0 - 7.8-8.4 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 2.3-2.4 3.2=100 HA GLU 41 - QG1 VAL 32 far 0 77 0 - 6.2-7.0 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 - 7.1-7.7 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 7 assignments used, quality = 1.00: * QG2 VAL 32 + QG1 VAL 32 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 45 - QG1 VAL 32 far 0 94 0 - 7.2-7.8 QG2 ILE 54 - QG1 VAL 32 far 0 70 0 - 7.3-7.9 QD1 ILE 15 - QG1 VAL 32 far 0 100 0 - 7.8-8.6 QD1 LEU 80 - QG1 VAL 32 far 0 87 0 - 9.1-9.7 QG2 ILE 7 - QG1 VAL 32 far 0 61 0 - 9.5-10.2 QD1 ILE 7 - QG1 VAL 32 far 0 99 0 - 9.9-10.5 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 2.6-3.2 4.0=99 H GLN 62 - QG2 VAL 32 far 0 97 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (4.25, 0.76, 21.14 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 32 + QG2 VAL 32 OK 100 100 100 100 2.2-2.5 3.2=100 HA GLU 41 - QG2 VAL 32 far 0 77 0 - 4.9-5.5 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 55 - QG2 VAL 32 far 0 77 0 - 7.7-8.3 HB2 LEU 64 - QG2 VAL 32 far 0 84 0 - 7.8-8.3 HB3 GLN 28 - QG2 VAL 32 far 0 97 0 - 8.1-9.2 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 - 6.9-8.1 QG2 THR 9 - QG2 VAL 32 far 0 99 0 - 8.4-9.0 QG2 VAL 22 - QG2 VAL 32 far 0 84 0 - 8.9-9.8 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 2 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 far 0 100 0 - 5.0-5.6 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 1 assignment used, quality = 1.00: * HB3 ASN 33 + HA ASN 33 OK 100 100 100 100 2.7-3.0 3.0=100 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 3.4-3.8 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 1 assignment used, quality = 1.00: * HB3 ASN 33 + HB2 ASN 33 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.1-3.6 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 3.4-4.1 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 2.4-3.5 1211=100, 1210/1.8=78...(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 2.7-3.0 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 2 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 far 0 100 0 - 3.8-4.8 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 2.1-3.2 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 3.4-3.9 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 - 8.7-9.4 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 2.4-3.0 3.0=100 HB2 ASN 33 - HA ASP 34 far 0 100 0 - 4.6-5.8 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 2.5-3.0 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 2.6-3.4 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 2.4-3.0 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 3.0-3.9 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 2.5-3.0 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 - 5.7-7.3 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): 1 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 far 0 96 0 - 5.1-5.4 HA LEU 64 - HA SER 35 far 0 87 0 - 8.6-9.0 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 2.3-2.6 3.0=100 HA MET 67 - HA SER 35 far 0 100 0 - 8.1-8.4 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 2.2-2.8 1220=100, 1221/1.8=81...(5) 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 - 7.3-8.3 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 - 9.5-11.0 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 1 assignment used, quality = 1.00: * H SER 35 + HB3 SER 35 OK 100 100 100 100 2.3-3.6 1221=100, 1220/1.8=92...(4) 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 2.3-2.6 3.0=89, 2.9/1221=34...(5) HA LYS 96 - HA ILE 97 far 0 29 0 - 4.6-4.7 HA GLU 37 - HB3 SER 35 far 0 84 0 - 7.5-8.2 HA GLU 69 - HA ILE 97 far 0 51 0 - 7.9-8.7 HA GLU 92 - HA ILE 97 far 0 41 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3472 from cnoeabs.peaks (3.92, 3.95, 62.76 ppm; 2.40 A): 1 out of 2 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 - 6.9-7.7 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 2.7-2.8 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 3.0-3.0 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 2.5-2.7 3.0=100 HG2 MET 42 - HA ASP 36 far 0 98 0 - 8.2-9.9 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 2.2-2.9 1224=100, 3482/1.8=68...(4) 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 3.0-3.0 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 2.2-3.6 1225=99, 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 2.5-2.7 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): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 GLU 91 + HA GLU 91 OK 30 32 100 93 2.2-2.6 4.2=42, 3.0/5830=37...(11) HG2 GLU 69 - HA GLU 69 far 0 74 0 - 3.3-3.5 HG3 GLU 92 - HA GLU 91 far 0 58 0 - 5.5-6.3 HG2 GLU 89 - HA GLU 91 far 0 56 0 - 7.5-9.8 HG3 GLU 92 - HA LYS 96 far 0 56 0 - 8.1-9.7 HG3 GLU 91 - HA LYS 96 far 0 31 0 - 8.9-10.2 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 7 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 98 - HA LYS 96 far 0 56 0 - 5.6-5.9 HB2 GLU 98 - HA GLU 91 far 0 58 0 - 6.5-7.0 HB2 MET 42 - HA LYS 44 far 0 36 0 - 7.5-8.0 HG3 GLU 66 - HA GLU 69 far 0 60 0 - 9.0-9.5 HB2 MET 42 - HA GLU 37 far 0 73 0 - 9.1-10.0 HB2 MET 42 - HA GLU 69 far 0 48 0 - 9.3-10.4 Violated in 3 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (2.44, 4.06, 59.21 ppm; 3.33 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.2-2.7 3505=97, 1.8/3511=57...(10) HG3 GLU 69 + HA GLU 69 OK 69 73 95 100 2.4-3.8 5022=93, 1.8/5016=66...(14) HG2 GLN 100 - HA GLU 69 far 0 76 0 - 4.4-7.3 HG3 GLU 41 - HA GLU 37 far 0 70 0 - 4.5-6.7 HG2 GLN 100 - HA LYS 96 far 0 57 0 - 5.4-8.4 HG3 GLU 98 - HA GLU 91 far 0 57 0 - 6.9-8.5 HG3 GLU 98 - HA LYS 96 far 0 55 0 - 7.7-8.1 HG3 GLU 41 - HA LYS 44 far 0 34 0 - 7.9-9.5 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 3.1-3.7 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 3.5-3.6 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 2.5-2.7 3.0=100 HA SER 35 - HB2 GLU 37 far 0 84 0 - 6.0-6.6 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 2 assignments used, quality = 1.00: * HB3 GLU 37 + HB2 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 42 - HB2 GLU 37 far 0 73 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3496 from cnoeabs.peaks (2.44, 2.27, 29.72 ppm; 3.78 A): 1 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 far 3 70 5 - 3.8-6.6 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 2.6-3.0 3.0=100 HB2 ASP 60 - HB2 GLU 37 far 0 97 0 - 9.0-10.5 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 2.2-2.5 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): 1 out of 4 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 35 - HB3 GLU 37 far 0 84 0 - 4.8-5.1 HA LYS 96 - HB2 GLU 98 far 0 54 0 - 5.6-5.9 HA GLU 91 - HB2 GLU 98 far 0 40 0 - 6.5-7.0 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 4 assignments used, quality = 1.00: * HB2 GLU 37 + HB3 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 91 - HB2 GLU 98 far 0 31 0 - 6.5-7.7 HG2 GLU 103 - HB2 GLU 98 far 0 42 0 - 8.9-10.9 HG3 GLU 92 - HB2 GLU 98 far 0 56 0 - 9.7-11.2 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 2.3-2.6 3.0=100 HG3 GLU 41 - HB3 GLU 37 far 0 70 0 - 5.4-7.4 HG2 GLN 100 - HB2 GLU 98 far 0 58 0 - 6.8-9.0 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 2.3-2.3 3.0=100 HB2 ASP 60 - HB3 GLU 37 far 0 97 0 - 8.2-9.0 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 2.7-3.9 1230=100, 1231/1.8=82...(10) Violated in 0 structures by 0.00 A. Peak 3505 from cnoeabs.peaks (4.06, 2.44, 36.55 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.98: * HA GLU 37 + HG2 GLU 37 OK 98 100 100 98 2.2-2.7 3.9=63, 3511/1.8=58...(10) HA SER 35 - HG2 GLU 37 far 0 84 0 - 6.6-7.8 HA GLU 91 - HG3 GLU 98 far 0 69 0 - 6.9-8.5 HA LYS 96 - HG3 GLU 98 far 0 88 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 3506 from cnoeabs.peaks (2.27, 2.44, 36.55 ppm; 3.03 A increased from 2.85 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 91 - HG3 GLU 98 far 0 55 0 - 6.6-8.8 HG2 GLU 103 - HG3 GLU 98 far 0 72 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 3507 from cnoeabs.peaks (2.17, 2.44, 36.55 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.97: HB2 GLU 98 + HG3 GLU 98 OK 88 90 100 98 2.3-2.6 3.0=87, ~6224=35...(9) * HB3 GLU 37 + HG2 GLU 37 OK 73 100 75 98 2.6-3.0 3.0=88, 3.0/3505=37...(9) 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; 3.90 A increased from 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HG3 GLU 37 OK 100 100 100 100 2.6-3.7 1231=100, 1230/1.8=79...(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 3.1-3.7 3.9=92, 3505/1.8=85...(11) HA SER 35 - HG3 GLU 37 far 0 84 0 - 6.1-7.2 Violated in 0 structures by 0.00 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 2.6-3.0 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 2.3-2.3 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 0 70 0 - 6.2-9.3 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 2.8-2.8 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 3.0-3.0 2.9=100 HG2 GLU 41 + HA LEU 38 OK 21 61 40 84 2.1-4.3 3.0/8052=44, 4.9/2045=26...(8) 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 3 assignments used, quality = 1.00: * HB3 LEU 38 + HA LEU 38 OK 100 100 100 100 2.3-2.3 2.9=100 HG2 LYS 39 - HA LEU 38 far 0 99 0 - 5.6-7.0 HG3 ARG 30 - HA LEU 38 far 0 94 0 - 7.8-10.0 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 2.9-2.9 3538=83, 3540/2.9=76...(8) HB3 ARG 30 - HA LEU 38 far 0 97 0 - 6.9-8.1 HG2 LYS 43 - HA LEU 38 far 0 96 0 - 7.9-8.8 HG LEU 6 - HA LEU 38 far 0 100 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (0.89, 3.91, 59.13 ppm; 3.85 A increased from 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + HA LEU 38 OK 100 100 100 100 3.7-3.8 3.8=100 QD1 LEU 70 - HA LEU 38 far 0 70 0 - 4.8-5.5 QD2 LEU 70 - HA LEU 38 far 0 81 0 - 6.8-7.6 Violated in 0 structures by 0.00 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 3.5-3.6 3552=87, 2.1/3520=60...(12) HG13 ILE 56 - HA LEU 38 far 0 99 0 - 6.0-6.9 Violated in 3 structures by 0.00 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 2.1-2.2 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + HB2 LEU 38 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 SER 35 - HB2 LEU 38 far 5 96 5 - 4.6-5.4 HA LEU 64 - HB2 LEU 38 far 0 99 0 - 7.5-7.8 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): 1 out of 2 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 far 0 99 0 - 4.0-6.8 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 3 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 - 8.4-9.2 HB3 ARG 30 - HB2 LEU 38 far 0 97 0 - 9.7-10.9 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 1.9-2.0 3.1=100 QD1 LEU 70 - HB2 LEU 38 far 0 70 0 - 4.6-5.3 QD2 LEU 70 - HB2 LEU 38 far 0 81 0 - 6.4-7.4 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 - 8.4-9.2 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 2.9-2.9 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 2.3-2.3 2.9=100 HB2 SER 35 - HB3 LEU 38 far 0 96 0 - 5.7-6.9 HA LEU 64 - HB3 LEU 38 far 0 99 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 3532 from cnoeabs.peaks (2.11, 1.46, 41.07 ppm; 3.71 A): 1 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 far 0 61 0 - 4.4-6.4 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 4 assignments used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.7-2.7 3.0=100 HB3 ARG 30 - HB3 LEU 38 far 0 97 0 - 8.4-9.5 HG LEU 6 - HB3 LEU 38 far 0 100 0 - 8.6-9.6 HG2 LYS 43 - HB3 LEU 38 far 0 96 0 - 9.2-10.0 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 far 0 70 0 - 4.6-5.4 QD2 LEU 70 - HB3 LEU 38 far 0 81 0 - 6.8-7.7 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 1.9-2.2 3.1=100 HG13 ILE 56 - HB3 LEU 38 far 0 99 0 - 6.9-7.9 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 4.4-4.4 1236=100, 1237/2.1=96...(9) 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 2.9-2.9 3520=100, 3522/2.1=83...(8) HA LEU 64 - HG LEU 38 far 0 99 0 - 6.8-7.2 HB2 SER 35 - HG LEU 38 far 0 96 0 - 7.0-7.9 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 far 0 61 0 - 4.1-6.7 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 4 assignments used, quality = 0.96: * HB3 LEU 38 + HG LEU 38 OK 96 100 100 96 2.7-2.7 3.0=86, 2.9/3520=31...(7) HG2 LYS 39 - HG LEU 38 far 0 99 0 - 4.0-6.8 HG3 ARG 30 - HG LEU 38 far 0 94 0 - 9.5-12.3 HG3 LYS 73 - HG LEU 38 far 0 70 0 - 9.6-12.0 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 22 70 100 31 2.5-3.3 11369/9378=15...(3) QD2 LEU 70 - HG LEU 38 far 0 81 0 - 4.6-5.5 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 - 6.4-7.3 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 3.5-3.6 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + QD2 LEU 38 OK 100 100 100 100 3.7-3.8 3.8=100 HB2 SER 35 - QD2 LEU 38 far 0 96 0 - 4.2-4.9 HA LEU 64 - QD2 LEU 38 far 0 99 0 - 6.5-6.8 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 1.9-2.0 3.1=100 HG2 GLU 41 - QD2 LEU 38 far 0 61 0 - 4.9-6.8 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 5 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 58 99 70 83 1.9-4.9 2.9/10457=38...(5) HG3 LYS 73 - QD2 LEU 38 far 0 70 0 - 8.0-9.9 HG3 ARG 30 - QD2 LEU 38 far 0 94 0 - 9.8-12.0 HB2 LEU 74 - QD2 LEU 38 far 0 99 0 - 9.9-11.0 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 6 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 - 5.8-6.7 HG LEU 6 - QD2 LEU 38 far 0 100 0 - 8.3-9.2 HB3 ARG 30 - QD2 LEU 38 far 0 97 0 - 9.2-10.3 HB2 LEU 6 - QD2 LEU 38 far 0 84 0 - 9.6-10.5 HB2 LYS 61 - QD2 LEU 38 far 0 99 0 - 9.9-10.7 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 - 7.4-8.1 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; 3.70 A increased from 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 38 + QD1 LEU 38 OK 100 100 100 100 3.5-3.6 3522=100, 3520/2.1=65...(12) HA LEU 64 - QD1 LEU 38 far 0 99 0 - 4.1-4.3 HB2 SER 35 - QD1 LEU 38 far 0 96 0 - 5.0-6.3 Violated in 0 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 far 0 61 0 - 4.9-7.0 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 8 assignments used, quality = 1.00: * HB3 LEU 38 + QD1 LEU 38 OK 100 100 100 100 1.9-2.2 3.1=100 HG2 LYS 39 - QD1 LEU 38 far 0 99 0 - 4.4-7.3 HB3 LEU 6 - QD1 LEU 38 far 0 100 0 - 8.0-8.6 HG3 LYS 73 - QD1 LEU 38 far 0 70 0 - 8.3-10.2 HG3 ARG 30 - QD1 LEU 38 far 0 94 0 - 9.1-11.0 HB2 LEU 74 - QD1 LEU 38 far 0 99 0 - 9.3-10.7 HG12 ILE 57 - QD1 LEU 38 far 0 100 0 - 9.5-10.2 HG LEU 4 - QD1 LEU 38 far 0 92 0 - 9.9-10.7 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 - 5.9-6.7 HB2 LEU 6 - QD1 LEU 38 far 0 84 0 - 7.3-8.2 HG2 LYS 43 - QD1 LEU 38 far 0 96 0 - 7.7-8.6 HB3 ARG 30 - QD1 LEU 38 far 0 97 0 - 8.0-9.0 HB2 LYS 61 - QD1 LEU 38 far 0 99 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (0.89, 0.96, 25.76 ppm; 2.64 A): 1 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 poor 8 70 35 34 2.3-3.1 9700/9699=14...(4) QD2 LEU 70 - QD1 LEU 38 far 0 81 0 - 4.5-5.3 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 1 assignment used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-2.9 3.0=100 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): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-2.4 3.0=90, 2.9/3562=37...(27) HB3 MET 42 + HA LYS 39 OK 51 73 100 70 2.2-2.8 1.8/8057=26, 3.9/2050=21...(8) HB3 LYS 39 + HA LYS 39 OK 32 81 40 100 2.7-3.0 3.0=90, 3568/3.0=44...(25) HB2 GLU 41 - HA LYS 39 far 0 73 0 - 4.9-6.8 HB2 LEU 70 - HA LYS 39 far 0 96 0 - 5.7-6.5 HB3 LYS 40 - HA LYS 39 far 0 90 0 - 6.1-6.6 HB3 GLU 41 - HA LYS 39 far 0 77 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (1.95, 3.84, 59.87 ppm; 3.03 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LYS 39 + HA LYS 39 OK 81 81 100 100 2.3-2.4 3.0=100 HB3 MET 42 + HA LYS 39 OK 78 100 100 78 2.2-2.8 1.8/8057=29, 3.9/2050=23...(8) HB2 GLU 41 - HA LYS 39 far 0 100 0 - 4.9-6.8 HB2 LEU 70 - HA LYS 39 far 0 98 0 - 5.7-6.5 HB3 LYS 40 - HA LYS 39 far 0 100 0 - 6.1-6.6 HB3 GLU 41 - HA LYS 39 far 0 100 0 - 6.3-7.3 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 2.7-3.6 3.8=79, 3588/3.0=43...(33) HB3 LEU 38 - HA LYS 39 far 0 99 0 - 5.5-5.6 HG3 LYS 44 - HA LYS 39 far 0 61 0 - 8.3-9.2 Violated in 4 structures by 0.01 A. Peak 3563 from cnoeabs.peaks (1.70, 3.84, 59.87 ppm; 3.91 A increased from 3.48 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.2-3.8 3.8=100 HD2 LYS 39 - HA LYS 39 far 0 97 0 - 4.2-5.0 HD3 LYS 39 - HA LYS 39 far 0 98 0 - 4.3-5.5 HD2 LYS 40 - HA LYS 39 far 0 70 0 - 4.9-8.2 HD3 LYS 43 - HA LYS 39 far 0 77 0 - 5.4-7.2 HD3 LYS 40 - HA LYS 39 far 0 65 0 - 6.4-8.6 HG12 ILE 71 - HA LYS 39 far 0 99 0 - 8.1-9.1 HG LEU 74 - HA LYS 39 far 0 99 0 - 9.0-10.0 HD3 LYS 73 - HA LYS 39 far 0 77 0 - 9.6-12.2 HD3 LYS 44 - HA LYS 39 far 0 99 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3564 from cnoeabs.peaks (1.71, 3.84, 59.87 ppm; 3.91 A increased from 3.48 A): 1 out of 6 assignments used, quality = 0.97: HG3 LYS 39 + HA LYS 39 OK 97 97 100 100 3.2-3.8 3.8=100 ! HD2 LYS 39 - HA LYS 39 far 0 100 0 - 4.2-5.0 HD3 LYS 39 - HA LYS 39 far 0 100 0 - 4.3-5.5 HG12 ILE 71 - HA LYS 39 far 0 87 0 - 8.1-9.1 HG LEU 74 - HA LYS 39 far 0 100 0 - 9.0-10.0 HD3 LYS 44 - HA LYS 39 far 0 100 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (1.70, 3.84, 59.87 ppm; 3.91 A increased from 3.48 A): 1 out of 6 assignments used, quality = 0.98: HG3 LYS 39 + HA LYS 39 OK 98 98 100 100 3.2-3.8 3.8=100 HD2 LYS 39 - HA LYS 39 far 0 100 0 - 4.2-5.0 ! HD3 LYS 39 - HA LYS 39 far 0 100 0 - 4.3-5.5 HG12 ILE 71 - HA LYS 39 far 0 90 0 - 8.1-9.1 HG LEU 74 - HA LYS 39 far 0 100 0 - 9.0-10.0 HD3 LYS 44 - HA LYS 39 far 0 100 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3566 from cnoeabs.peaks (2.98, 3.84, 59.87 ppm; 6.20 A): 3 out of 8 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.4-6.3 3.6/3562=98, 6.6=83...(33) HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.1-6.1 3632/3562=100, 6.6=83...(32) HE3 LYS 43 + HA LYS 39 OK 33 99 70 48 4.7-7.8 7.0/2056=47 HE2 LYS 43 - HA LYS 39 poor 14 100 30 48 5.2-8.2 7.0/2056=47 HE2 LYS 40 - HA LYS 39 far 9 90 10 - 5.1-10.0 HE3 LYS 40 - HA LYS 39 far 4 84 5 - 5.8-9.8 HE2 LYS 73 - HA LYS 39 far 0 100 0 - 8.3-13.6 HE3 LYS 73 - HA LYS 39 far 0 100 0 - 8.7-14.2 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (2.98, 3.84, 59.87 ppm; 6.20 A): 3 out of 8 assignments used, quality = 1.00: * HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.1-6.1 3642/3562=100, 6.6=83...(32) HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.4-6.3 3.6/3562=98, 6.6=83...(33) HE3 LYS 43 + HA LYS 39 OK 33 98 70 48 4.7-7.8 7.0/2056=47 HE2 LYS 43 - HA LYS 39 poor 14 100 30 48 5.2-8.2 7.0/2056=47 HE2 LYS 40 - HA LYS 39 far 8 84 10 - 5.1-10.0 HE3 LYS 40 - HA LYS 39 far 4 77 5 - 5.8-9.8 HE2 LYS 73 - HA LYS 39 far 0 100 0 - 8.3-13.6 HE3 LYS 73 - HA LYS 39 far 0 99 0 - 8.7-14.2 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (7.83, 1.93, 32.05 ppm; 3.03 A): 1 out of 8 assignments used, quality = 0.62: H LYS 39 + HB3 LYS 39 OK 62 63 100 99 2.2-2.8 1241=87, 1884/220=57...(12) ! H LYS 39 - HB2 LYS 39 far 0 100 0 - 3.5-3.6 HE21 GLN 62 - HB2 LYS 65 far 0 44 0 - 3.6-6.9 HE21 GLN 62 - HB3 LYS 65 far 0 44 0 - 5.1-8.2 H ILE 97 - HB3 LYS 65 far 0 78 0 - 7.7-8.7 H ILE 97 - HB2 LYS 65 far 0 78 0 - 9.1-9.8 HE21 GLN 62 - HB3 LYS 39 far 0 34 0 - 9.5-13.9 H VAL 78 - HB2 LYS 123 far 0 69 0 - 9.5-10.7 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 2.3-2.4 3.0=100 HA LYS 39 + HB3 LYS 39 OK 63 63 100 100 2.7-3.0 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 14 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-2.5 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 63 63 100 100 3.0-3.0 2.9=100 HB3 LEU 38 - HB3 LYS 39 far 0 61 0 - 5.7-6.8 HB3 LEU 38 - HB2 LYS 39 far 0 99 0 - 6.9-7.2 HG2 LYS 96 - HB3 LYS 65 far 0 47 0 - 7.6-9.4 HB3 LEU 38 - HB2 LYS 65 far 0 77 0 - 8.8-9.4 HG2 LYS 96 - HB2 LYS 65 far 0 48 0 - 8.8-10.7 HG3 LYS 44 - HB3 LYS 39 far 0 31 0 - 9.0-10.6 HG3 LYS 44 - HB2 LYS 39 far 0 61 0 - 9.3-10.5 HB3 LEU 38 - HB3 LYS 65 far 0 77 0 - 9.5-10.7 HG LEU 80 - HB3 LYS 65 far 0 50 0 - 9.7-10.4 HG12 ILE 7 - HB2 LYS 115 far 0 87 0 - 9.9-11.3 HG12 ILE 7 - HB3 LYS 115 far 0 94 0 - 9.9-11.4 HG2 LYS 39 - HB2 LYS 65 far 0 79 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 3573 from cnoeabs.peaks (1.70, 1.93, 32.05 ppm; 2.70 A): 4 out of 18 assignments used, quality = 0.92: HG3 LYS 123 + HB2 LYS 123 OK 61 69 90 99 2.3-3.0 2.9=77, 7114/7129=44...(21) HG3 LYS 39 + HB3 LYS 39 OK 61 63 100 97 2.4-2.5 2.9=80, 1244/3568=31...(20) HD2 LYS 39 + HB2 LYS 39 OK 32 97 35 94 2.3-3.8 3.5=45, 3621/1.8=19...(31) HD3 LYS 39 + HB3 LYS 39 OK 22 59 40 94 2.4-3.8 3.5=45, 1.8/3610=17...(32) HD2 LYS 39 - HB3 LYS 39 poor 17 58 30 - 2.2-3.7 HD3 LYS 39 - HB2 LYS 39 far 5 98 5 - 2.2-3.8 HD2 LYS 40 - HB3 LYS 39 far 0 36 0 - 2.8-8.0 ! HG3 LYS 39 - HB2 LYS 39 far 0 100 0 - 3.0-3.0 HD3 LYS 40 - HB3 LYS 39 far 0 34 0 - 4.0-8.1 HD2 LYS 40 - HB2 LYS 39 far 0 70 0 - 4.1-8.4 HD3 LYS 43 - HB2 LYS 39 far 0 77 0 - 4.6-6.9 HD3 LYS 40 - HB2 LYS 39 far 0 65 0 - 5.3-8.3 HD3 LYS 96 - HB3 LYS 65 far 0 50 0 - 5.3-11.2 HD3 LYS 43 - HB3 LYS 39 far 0 41 0 - 5.9-8.2 HD2 LYS 96 - HB3 LYS 65 far 0 44 0 - 6.2-10.9 HD3 LYS 96 - HB2 LYS 65 far 0 51 0 - 6.7-12.3 HD2 LYS 96 - HB2 LYS 65 far 0 44 0 - 7.8-12.1 HD3 LYS 44 - HB3 LYS 39 far 0 61 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3574 from cnoeabs.peaks (1.71, 1.93, 32.05 ppm; 2.70 A): 4 out of 8 assignments used, quality = 0.90: HG3 LYS 123 + HB2 LYS 123 OK 56 63 90 99 2.3-3.0 2.9=77, 7114/7129=42...(21) HG3 LYS 39 + HB3 LYS 39 OK 56 58 100 97 2.4-2.5 2.9=80, 1245/3568=31...(20) * HD2 LYS 39 + HB2 LYS 39 OK 33 100 35 94 2.3-3.8 3.5=45, 3621/1.8=20...(31) HD3 LYS 39 + HB3 LYS 39 OK 24 63 40 94 2.4-3.8 3.5=45, 1.8/3610=17...(32) HD2 LYS 39 - HB3 LYS 39 poor 19 63 30 - 2.2-3.7 HD3 LYS 39 - HB2 LYS 39 far 5 100 5 - 2.2-3.8 HG3 LYS 39 - HB2 LYS 39 far 0 97 0 - 3.0-3.0 HD3 LYS 44 - HB3 LYS 39 far 0 62 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (1.70, 1.93, 32.05 ppm; 2.70 A): 4 out of 8 assignments used, quality = 0.91: HG3 LYS 123 + HB2 LYS 123 OK 58 65 90 99 2.3-3.0 2.9=77, 7114/7129=42...(21) HG3 LYS 39 + HB3 LYS 39 OK 57 59 100 97 2.4-2.5 2.9=80, 1246/3568=31...(20) HD2 LYS 39 + HB2 LYS 39 OK 33 100 35 94 2.3-3.8 3.5=45, 3621/1.8=20...(31) HD3 LYS 39 + HB3 LYS 39 OK 24 63 40 94 2.4-3.8 3.5=45, 1.8/3610=17...(32) HD2 LYS 39 - HB3 LYS 39 poor 19 63 30 - 2.2-3.7 ! HD3 LYS 39 - HB2 LYS 39 far 5 100 5 - 2.2-3.8 HG3 LYS 39 - HB2 LYS 39 far 0 98 0 - 3.0-3.0 HD3 LYS 44 - HB3 LYS 39 far 0 62 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3576 from cnoeabs.peaks (2.98, 1.93, 32.05 ppm; 3.82 A): 4 out of 17 assignments used, quality = 0.99: HE3 LYS 39 + HB2 LYS 39 OK 90 100 90 100 2.0-4.1 3642/2.9=76, 5.0=44...(38) * HE2 LYS 39 + HB2 LYS 39 OK 65 100 65 100 2.1-4.4 ~3642=45, ~3632=45...(34) HE2 LYS 39 + HB3 LYS 39 OK 50 63 80 100 2.2-4.6 ~3642=45, ~3632=45...(36) HE3 LYS 39 + HB3 LYS 39 OK 47 62 75 100 2.2-4.5 3642/2.9=76, 5.0=44...(41) HD3 ARG 118 - HB3 LYS 115 poor 17 87 25 76 2.6-7.0 10540/3.0=46, ~10539=31...(4) HE3 LYS 43 - HB2 LYS 39 far 15 99 15 - 2.9-7.2 HD3 ARG 118 - HB2 LYS 115 far 8 80 10 - 3.8-6.7 HE2 LYS 40 - HB3 LYS 39 far 5 50 10 - 3.3-9.5 HE2 LYS 43 - HB2 LYS 39 far 5 100 5 - 3.6-7.3 HE3 LYS 43 - HB3 LYS 39 far 3 61 5 - 3.8-8.7 HE3 LYS 40 - HB3 LYS 39 far 0 46 0 - 4.0-9.0 HE2 LYS 40 - HB2 LYS 39 far 0 90 0 - 4.1-10.1 HE3 LYS 40 - HB2 LYS 39 far 0 84 0 - 4.5-9.8 HE2 LYS 43 - HB3 LYS 39 far 0 63 0 - 4.8-8.7 HE2 LYS 73 - HB2 LYS 39 far 0 100 0 - 9.1-14.1 HE3 LYS 73 - HB2 LYS 39 far 0 100 0 - 9.7-14.5 HE2 LYS 39 - HB2 LYS 65 far 0 79 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3577 from cnoeabs.peaks (2.98, 1.93, 32.05 ppm; 3.82 A): 4 out of 17 assignments used, quality = 0.99: * HE3 LYS 39 + HB2 LYS 39 OK 90 100 90 100 2.0-4.1 3642/2.9=76, 5.0=44...(38) HE2 LYS 39 + HB2 LYS 39 OK 65 100 65 100 2.1-4.4 ~3642=45, ~3632=45...(34) HE2 LYS 39 + HB3 LYS 39 OK 50 62 80 100 2.2-4.6 ~3642=45, ~3632=45...(36) HE3 LYS 39 + HB3 LYS 39 OK 47 63 75 100 2.2-4.5 3642/2.9=76, 5.0=44...(41) HD3 ARG 118 - HB3 LYS 115 poor 16 83 25 75 2.6-7.0 10540/3.0=43, ~10539=31...(4) HE3 LYS 43 - HB2 LYS 39 far 15 98 15 - 2.9-7.2 HD3 ARG 118 - HB2 LYS 115 far 8 75 10 - 3.8-6.7 HE2 LYS 43 - HB2 LYS 39 far 5 100 5 - 3.6-7.3 HE2 LYS 40 - HB3 LYS 39 far 5 46 10 - 3.3-9.5 HE3 LYS 43 - HB3 LYS 39 far 3 59 5 - 3.8-8.7 HE3 LYS 40 - HB3 LYS 39 far 0 41 0 - 4.0-9.0 HE2 LYS 40 - HB2 LYS 39 far 0 84 0 - 4.1-10.1 HE3 LYS 40 - HB2 LYS 39 far 0 77 0 - 4.5-9.8 HE2 LYS 43 - HB3 LYS 39 far 0 63 0 - 4.8-8.7 HE2 LYS 73 - HB2 LYS 39 far 0 100 0 - 9.1-14.1 HE3 LYS 73 - HB2 LYS 39 far 0 99 0 - 9.7-14.5 HE2 LYS 39 - HB2 LYS 65 far 0 78 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (7.83, 1.95, 32.05 ppm; 3.11 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-2.8 1242=100, 1884/221=62...(12) H LYS 39 - HB2 LYS 39 far 0 63 0 - 3.5-3.6 HE21 GLN 62 - HB2 LYS 65 far 0 22 0 - 3.6-6.9 H ILE 97 - HB3 LYS 65 far 0 38 0 - 7.7-8.7 H ILE 97 - HB2 LYS 65 far 0 42 0 - 9.1-9.8 HE21 GLN 62 - HB3 LYS 39 far 0 65 0 - 9.5-13.9 H VAL 78 - HB2 LYS 123 far 0 36 0 - 9.5-10.7 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 2.7-3.0 3.0=100 HA LYS 39 + HB2 LYS 39 OK 63 63 100 100 2.3-2.4 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 13 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 63 63 100 100 2.4-2.5 2.9=100 HB3 LEU 38 - HB3 LYS 39 far 0 99 0 - 5.7-6.8 HB3 LEU 38 - HB2 LYS 39 far 0 61 0 - 6.9-7.2 HG2 LYS 96 - HB3 LYS 65 far 0 21 0 - 7.6-9.4 HB3 LEU 38 - HB2 LYS 65 far 0 41 0 - 8.8-9.4 HG2 LYS 96 - HB2 LYS 65 far 0 24 0 - 8.8-10.7 HG3 LYS 44 - HB3 LYS 39 far 0 61 0 - 9.0-10.6 HG3 LYS 44 - HB2 LYS 39 far 0 31 0 - 9.3-10.5 HB3 LEU 38 - HB3 LYS 65 far 0 37 0 - 9.5-10.7 HG LEU 80 - HB3 LYS 65 far 0 23 0 - 9.7-10.4 HG12 ILE 7 - HB3 LYS 115 far 0 54 0 - 9.9-11.4 HG2 LYS 39 - HB2 LYS 65 far 0 42 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (1.70, 1.95, 32.05 ppm; 2.74 A): 5 out of 17 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 98 100 100 98 2.4-2.5 2.9=85, 1244/1242=32...(20) HD3 LYS 39 + HB3 LYS 39 OK 37 98 40 95 2.4-3.8 3.5=47, 1.8/3621=20...(32) HG3 LYS 123 + HB2 LYS 123 OK 32 36 90 99 2.3-3.0 2.9=81, 7114/7129=33...(21) HD2 LYS 39 + HB3 LYS 39 OK 28 97 30 95 2.2-3.7 3.5=47, 1.8/3621=27...(29) HD2 LYS 39 + HB2 LYS 39 OK 24 58 45 95 2.3-3.8 3.5=47, 3621/1.8=20...(31) HD2 LYS 40 - HB3 LYS 39 far 3 70 5 - 2.8-8.0 HD3 LYS 39 - HB2 LYS 39 far 3 59 5 - 2.2-3.8 HG3 LYS 39 - HB2 LYS 39 far 0 63 0 - 3.0-3.0 HD3 LYS 40 - HB3 LYS 39 far 0 65 0 - 4.0-8.1 HD2 LYS 40 - HB2 LYS 39 far 0 36 0 - 4.1-8.4 HD3 LYS 43 - HB2 LYS 39 far 0 41 0 - 4.6-6.9 HD3 LYS 40 - HB2 LYS 39 far 0 34 0 - 5.3-8.3 HD3 LYS 96 - HB3 LYS 65 far 0 23 0 - 5.3-11.2 HD3 LYS 43 - HB3 LYS 39 far 0 77 0 - 5.9-8.2 HD3 LYS 96 - HB2 LYS 65 far 0 25 0 - 6.7-12.3 HD2 LYS 96 - HB2 LYS 65 far 0 22 0 - 7.8-12.1 HD3 LYS 44 - HB3 LYS 39 far 0 99 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3584 from cnoeabs.peaks (1.71, 1.95, 32.05 ppm; 2.74 A): 5 out of 8 assignments used, quality = 0.99: HG3 LYS 39 + HB3 LYS 39 OK 95 97 100 98 2.4-2.5 2.9=85, 1245/1242=32...(20) HD3 LYS 39 + HB3 LYS 39 OK 38 100 40 95 2.4-3.8 3.5=47, 1.8/3621=20...(32) HG3 LYS 123 + HB2 LYS 123 OK 29 33 90 99 2.3-3.0 2.9=81, 7114/7129=32...(21) * HD2 LYS 39 + HB3 LYS 39 OK 28 100 30 95 2.2-3.7 3.5=47, 1.8/3621=27...(29) HD2 LYS 39 + HB2 LYS 39 OK 27 63 45 95 2.3-3.8 3.5=47, 3621/1.8=20...(31) HD3 LYS 39 - HB2 LYS 39 far 3 63 5 - 2.2-3.8 HG3 LYS 39 - HB2 LYS 39 far 0 58 0 - 3.0-3.0 HD3 LYS 44 - HB3 LYS 39 far 0 100 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3585 from cnoeabs.peaks (1.70, 1.95, 32.05 ppm; 2.74 A): 5 out of 8 assignments used, quality = 0.99: HG3 LYS 39 + HB3 LYS 39 OK 96 98 100 98 2.4-2.5 2.9=85, 1246/1242=32...(20) * HD3 LYS 39 + HB3 LYS 39 OK 38 100 40 95 2.4-3.8 3.5=47, 1.8/3621=20...(32) HG3 LYS 123 + HB2 LYS 123 OK 30 33 90 99 2.3-3.0 2.9=81, 7114/7129=33...(21) HD2 LYS 39 + HB3 LYS 39 OK 28 100 30 95 2.2-3.7 3.5=47, 1.8/3621=27...(29) HD2 LYS 39 + HB2 LYS 39 OK 27 63 45 95 2.3-3.8 3.5=47, 3621/1.8=20...(31) HD3 LYS 39 - HB2 LYS 39 far 3 63 5 - 2.2-3.8 HG3 LYS 39 - HB2 LYS 39 far 0 59 0 - 3.0-3.0 HD3 LYS 44 - HB3 LYS 39 far 0 100 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3586 from cnoeabs.peaks (2.98, 1.95, 32.05 ppm; 3.90 A): 4 out of 16 assignments used, quality = 0.99: * HE2 LYS 39 + HB3 LYS 39 OK 80 100 80 100 2.2-4.6 5.0=47, ~3642=47...(36) HE3 LYS 39 + HB3 LYS 39 OK 75 100 75 100 2.2-4.5 3642/2.9=78, 5.0=47...(41) HE3 LYS 39 + HB2 LYS 39 OK 56 62 90 100 2.0-4.1 3642/2.9=78, 5.0=47...(38) HE2 LYS 39 + HB2 LYS 39 OK 44 63 70 100 2.1-4.4 5.0=47, ~3642=47...(34) HD3 ARG 118 - HB3 LYS 115 poor 17 49 35 - 2.6-7.0 HE3 LYS 43 - HB2 LYS 39 far 9 61 15 - 2.9-7.2 HE2 LYS 40 - HB3 LYS 39 far 9 90 10 - 3.3-9.5 HE3 LYS 43 - HB3 LYS 39 far 5 99 5 - 3.8-8.7 HE3 LYS 40 - HB3 LYS 39 far 4 84 5 - 4.0-9.0 HE2 LYS 43 - HB2 LYS 39 far 3 63 5 - 3.6-7.3 HE2 LYS 40 - HB2 LYS 39 far 0 50 0 - 4.1-10.1 HE3 LYS 40 - HB2 LYS 39 far 0 46 0 - 4.5-9.8 HE2 LYS 43 - HB3 LYS 39 far 0 100 0 - 4.8-8.7 HE2 LYS 73 - HB2 LYS 39 far 0 62 0 - 9.1-14.1 HE3 LYS 73 - HB2 LYS 39 far 0 62 0 - 9.7-14.5 HE2 LYS 39 - HB2 LYS 65 far 0 42 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3587 from cnoeabs.peaks (2.98, 1.95, 32.05 ppm; 3.90 A): 4 out of 16 assignments used, quality = 0.99: HE2 LYS 39 + HB3 LYS 39 OK 80 100 80 100 2.2-4.6 5.0=47, ~3642=47...(36) * HE3 LYS 39 + HB3 LYS 39 OK 75 100 75 100 2.2-4.5 3642/2.9=79, 5.0=47...(41) HE3 LYS 39 + HB2 LYS 39 OK 56 63 90 100 2.0-4.1 3642/2.9=79, 5.0=47...(38) HE2 LYS 39 + HB2 LYS 39 OK 44 62 70 100 2.1-4.4 5.0=47, ~3642=47...(34) HD3 ARG 118 - HB3 LYS 115 poor 16 45 35 - 2.6-7.0 HE3 LYS 43 - HB2 LYS 39 far 9 59 15 - 2.9-7.2 HE2 LYS 40 - HB3 LYS 39 far 8 84 10 - 3.3-9.5 HE3 LYS 43 - HB3 LYS 39 far 5 98 5 - 3.8-8.7 HE3 LYS 40 - HB3 LYS 39 far 4 77 5 - 4.0-9.0 HE2 LYS 43 - HB2 LYS 39 far 3 63 5 - 3.6-7.3 HE2 LYS 40 - HB2 LYS 39 far 0 46 0 - 4.1-10.1 HE3 LYS 40 - HB2 LYS 39 far 0 41 0 - 4.5-9.8 HE2 LYS 43 - HB3 LYS 39 far 0 100 0 - 4.8-8.7 HE2 LYS 73 - HB2 LYS 39 far 0 63 0 - 9.1-14.1 HE3 LYS 73 - HB2 LYS 39 far 0 61 0 - 9.7-14.5 HE2 LYS 39 - HB2 LYS 65 far 0 42 0 - 9.9-15.8 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 2.7-4.1 1244/1.8=94, 3568/2.9=85...(14) HE21 GLN 62 - HG2 LYS 39 far 0 65 0 - 8.6-15.0 Violated in 0 structures by 0.00 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 2.7-3.6 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 8 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.4-2.5 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 81 81 100 100 3.0-3.0 2.9=100 HB3 MET 42 - HG2 LYS 39 far 0 73 0 - 4.8-5.6 HB3 LYS 40 - HG2 LYS 39 far 0 90 0 - 5.2-8.3 HB2 LEU 70 - HG2 LYS 39 far 0 96 0 - 6.5-9.7 HB2 GLU 41 - HG2 LYS 39 far 0 73 0 - 7.0-8.8 HB3 GLU 41 - HG2 LYS 39 far 0 77 0 - 8.3-9.7 HB2 LYS 65 - HG2 LYS 39 far 0 100 0 - 9.9-14.4 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 8 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 39 + HG2 LYS 39 OK 81 81 100 100 2.4-2.5 2.9=100 HB3 MET 42 - HG2 LYS 39 far 0 100 0 - 4.8-5.6 HB3 LYS 40 - HG2 LYS 39 far 0 100 0 - 5.2-8.3 HB2 LEU 70 - HG2 LYS 39 far 0 98 0 - 6.5-9.7 HB2 GLU 41 - HG2 LYS 39 far 0 100 0 - 7.0-8.8 HB3 GLU 41 - HG2 LYS 39 far 0 100 0 - 8.3-9.7 HB2 LYS 65 - HG2 LYS 39 far 0 81 0 - 9.9-14.4 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 9 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 39 + HG2 LYS 39 OK 60 97 65 96 2.4-3.0 3.0=69, 3.0/3642=38...(36) HD3 LYS 39 + HG2 LYS 39 OK 56 98 60 95 2.3-3.0 3.0=69, 3.0/3642=38...(35) HD3 LYS 43 - HG2 LYS 39 far 0 77 0 - 4.4-9.1 HD2 LYS 40 - HG2 LYS 39 far 0 70 0 - 5.8-9.6 HD3 LYS 40 - HG2 LYS 39 far 0 65 0 - 5.9-9.9 HD3 LYS 44 - HG2 LYS 39 far 0 99 0 - 8.7-13.6 HG12 ILE 71 - HG2 LYS 39 far 0 99 0 - 9.5-12.3 HD2 LYS 44 - HG2 LYS 39 far 0 100 0 - 9.6-13.8 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 6 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 62 100 65 96 2.4-3.0 3.0=69, 3.0/3642=38...(36) HD3 LYS 39 + HG2 LYS 39 OK 57 100 60 95 2.3-3.0 3.0=69, 3.0/3642=38...(35) HD3 LYS 44 - HG2 LYS 39 far 0 100 0 - 8.7-13.6 HG12 ILE 71 - HG2 LYS 39 far 0 87 0 - 9.5-12.3 HD2 LYS 44 - HG2 LYS 39 far 0 99 0 - 9.6-13.8 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 6 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 62 100 65 96 2.4-3.0 3.0=69, 3.0/3642=38...(36) * HD3 LYS 39 + HG2 LYS 39 OK 57 100 60 95 2.3-3.0 3.0=69, 3.0/3642=38...(35) HD3 LYS 44 - HG2 LYS 39 far 0 100 0 - 8.7-13.6 HG12 ILE 71 - HG2 LYS 39 far 0 90 0 - 9.5-12.3 HD2 LYS 44 - HG2 LYS 39 far 0 99 0 - 9.6-13.8 Violated in 0 structures by 0.00 A. Peak 3596 from cnoeabs.peaks (2.98, 1.46, 25.42 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.7 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 90 100 90 100 2.2-4.2 3.6=100 HE3 LYS 43 - HG2 LYS 39 far 5 99 5 - 3.7-9.2 HE2 LYS 43 - HG2 LYS 39 far 0 100 0 - 4.6-8.7 HE2 LYS 40 - HG2 LYS 39 far 0 90 0 - 5.7-11.5 HE3 LYS 40 - HG2 LYS 39 far 0 84 0 - 6.0-10.9 Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (2.98, 1.46, 25.42 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.7 3.6=100 * HE3 LYS 39 + HG2 LYS 39 OK 90 100 90 100 2.2-4.2 3.6=100 HE3 LYS 43 - HG2 LYS 39 far 5 98 5 - 3.7-9.2 HE2 LYS 43 - HG2 LYS 39 far 0 100 0 - 4.6-8.7 HE2 LYS 40 - HG2 LYS 39 far 0 84 0 - 5.7-11.5 HE3 LYS 40 - HG2 LYS 39 far 0 77 0 - 6.0-10.9 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 1.8-3.0 1244=100, 3568/2.9=78...(14) HE21 GLN 62 - HG3 LYS 39 far 0 65 0 - 8.7-14.1 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 3.2-3.8 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 3.0-3.0 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 81 81 100 100 2.4-2.5 2.9=100 HB2 LYS 123 + HG3 LYS 123 OK 68 68 100 100 2.3-3.0 2.9=100 HB3 LYS 40 - HG3 LYS 39 far 0 90 0 - 4.8-7.4 HB3 MET 42 - HG3 LYS 39 far 0 73 0 - 5.5-6.1 HB2 GLU 41 - HG3 LYS 39 far 0 73 0 - 6.4-8.1 HB2 LEU 70 - HG3 LYS 39 far 0 96 0 - 7.7-10.1 HB3 GLU 41 - HG3 LYS 39 far 0 77 0 - 7.9-9.3 HB2 LEU 127 - HG3 LYS 123 far 0 68 0 - 8.4-9.9 HG2 MET 121 - HG3 LYS 123 far 0 40 0 - 8.7-11.1 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 2.4-2.5 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 81 81 100 100 3.0-3.0 2.9=100 HB2 LYS 123 + HG3 LYS 123 OK 48 48 100 100 2.3-3.0 2.9=100 HB3 LYS 40 - HG3 LYS 39 far 0 100 0 - 4.8-7.4 HB3 MET 42 - HG3 LYS 39 far 0 100 0 - 5.5-6.1 HB2 GLU 41 - HG3 LYS 39 far 0 100 0 - 6.4-8.1 HB2 LEU 70 - HG3 LYS 39 far 0 98 0 - 7.7-10.1 HB3 GLU 41 - HG3 LYS 39 far 0 100 0 - 7.9-9.3 HB2 LEU 127 - HG3 LYS 123 far 0 45 0 - 8.4-9.9 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 - 4.9-6.9 HG3 LYS 44 - HG3 LYS 39 far 0 61 0 - 8.5-11.5 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): 2 out of 6 assignments used, quality = 0.98: HE3 LYS 39 + HG3 LYS 39 OK 90 100 90 100 2.6-4.2 3.6=100 * HE2 LYS 39 + HG3 LYS 39 OK 80 100 80 100 2.3-4.2 3.6=100 HE2 LYS 40 - HG3 LYS 39 far 0 90 0 - 4.4-10.4 HE3 LYS 43 - HG3 LYS 39 far 0 99 0 - 5.4-9.6 HE3 LYS 40 - HG3 LYS 39 far 0 84 0 - 6.0-9.7 HE2 LYS 43 - HG3 LYS 39 far 0 100 0 - 6.3-9.6 Violated in 0 structures by 0.00 A. Peak 3607 from cnoeabs.peaks (2.98, 1.70, 25.42 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.98: * HE3 LYS 39 + HG3 LYS 39 OK 90 100 90 100 2.6-4.2 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 80 100 80 100 2.3-4.2 3.6=100 HE2 LYS 40 - HG3 LYS 39 far 0 84 0 - 4.4-10.4 HE3 LYS 43 - HG3 LYS 39 far 0 98 0 - 5.4-9.6 HE3 LYS 40 - HG3 LYS 39 far 0 77 0 - 6.0-9.7 HE2 LYS 43 - HG3 LYS 39 far 0 100 0 - 6.3-9.6 Violated in 0 structures by 0.00 A. Peak 3608 from cnoeabs.peaks (7.83, 1.71, 29.31 ppm; 4.80 A increased from 4.04 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-4.6 1246/3.0=88, 3568/3.5=86...(15) H LYS 39 + HD3 LYS 39 OK 85 100 85 100 3.8-5.0 1245/3.0=88, 3568/3.5=86...(14) HE21 GLN 62 - HD2 LYS 39 far 0 65 0 - 8.0-12.8 HE21 GLN 62 - HD3 LYS 39 far 0 65 0 - 8.2-14.5 Violated in 0 structures by 0.00 A. Peak 3609 from cnoeabs.peaks (3.84, 1.71, 29.31 ppm; 5.01 A increased from 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.2-5.0 3562/3.0=91, 5.3=85...(41) HA LYS 39 + HD3 LYS 39 OK 70 100 70 100 4.3-5.5 3562/3.0=91, 5.3=85...(41) HA LYS 39 - HD3 LYS 44 far 0 86 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3610 from cnoeabs.peaks (1.93, 1.71, 29.31 ppm; 2.64 A): 3 out of 23 assignments used, quality = 0.63: * HB2 LYS 39 + HD2 LYS 39 OK 32 100 35 91 2.3-3.8 3.5=42, 2.9/3594=12...(34) HB3 LYS 39 + HD3 LYS 39 OK 30 80 40 92 2.4-3.8 3.5=42, 3573/3.0=14...(36) HB3 LYS 39 + HD2 LYS 39 OK 22 81 30 91 2.2-3.7 3.5=42, 3573/3.0=14...(30) HB2 LYS 39 - HD3 LYS 39 far 5 100 5 - 2.2-3.8 HB3 LYS 40 - HD3 LYS 44 far 0 72 0 - 5.2-9.1 HB3 GLU 52 - HD3 LYS 44 far 0 50 0 - 5.7-13.7 HB3 GLU 41 - HD3 LYS 44 far 0 60 0 - 6.0-8.0 HB3 MET 42 - HD2 LYS 39 far 0 73 0 - 6.3-7.6 HB3 LYS 40 - HD3 LYS 39 far 0 89 0 - 6.4-9.5 HB3 LYS 40 - HD2 LYS 44 far 0 68 0 - 6.5-8.9 HB3 GLU 52 - HD2 LYS 44 far 0 47 0 - 6.7-12.5 HB3 MET 42 - HD3 LYS 39 far 0 73 0 - 6.8-7.9 HB3 GLU 41 - HD2 LYS 44 far 0 57 0 - 6.9-8.1 HB2 GLU 41 - HD3 LYS 44 far 0 57 0 - 6.9-8.5 HB3 LYS 40 - HD2 LYS 39 far 0 90 0 - 7.1-9.3 HB2 GLU 41 - HD2 LYS 44 far 0 54 0 - 7.6-8.7 HB2 LEU 70 - HD2 LYS 39 far 0 96 0 - 8.6-10.7 HB2 GLU 41 - HD2 LYS 39 far 0 73 0 - 8.6-10.6 HB2 LEU 70 - HD3 LYS 39 far 0 95 0 - 8.7-11.6 HB2 GLU 41 - HD3 LYS 39 far 0 73 0 - 8.7-10.6 HB3 MET 42 - HD3 LYS 44 far 0 57 0 - 8.7-9.8 HB3 MET 42 - HD2 LYS 44 far 0 54 0 - 9.0-9.7 HB3 LYS 39 - HD3 LYS 44 far 0 63 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3611 from cnoeabs.peaks (1.95, 1.71, 29.31 ppm; 2.67 A): 3 out of 23 assignments used, quality = 0.67: HB3 LYS 39 + HD3 LYS 39 OK 38 100 40 94 2.4-3.8 3.5=43, 3583/3.0=18...(36) * HB3 LYS 39 + HD2 LYS 39 OK 28 100 30 92 2.2-3.7 3.5=43, 3583/3.0=18...(30) HB2 LYS 39 + HD2 LYS 39 OK 26 81 35 92 2.3-3.8 3.5=43, 2.9/3594=13...(34) HB2 LYS 39 - HD3 LYS 39 far 4 80 5 - 2.2-3.8 HB3 LYS 40 - HD3 LYS 44 far 0 85 0 - 5.2-9.1 HB3 GLU 52 - HD3 LYS 44 far 0 84 0 - 5.7-13.7 HB3 GLU 41 - HD3 LYS 44 far 0 86 0 - 6.0-8.0 HB3 MET 42 - HD2 LYS 39 far 0 100 0 - 6.3-7.6 HB3 LYS 40 - HD3 LYS 39 far 0 100 0 - 6.4-9.5 HB3 LYS 40 - HD2 LYS 44 far 0 82 0 - 6.5-8.9 HB3 GLU 52 - HD2 LYS 44 far 0 81 0 - 6.7-12.5 HB3 MET 42 - HD3 LYS 39 far 0 100 0 - 6.8-7.9 HB3 GLU 41 - HD2 LYS 44 far 0 83 0 - 6.9-8.1 HB2 GLU 41 - HD3 LYS 44 far 0 86 0 - 6.9-8.5 HB3 LYS 40 - HD2 LYS 39 far 0 100 0 - 7.1-9.3 HB2 GLU 41 - HD2 LYS 44 far 0 82 0 - 7.6-8.7 HB2 LEU 70 - HD2 LYS 39 far 0 98 0 - 8.6-10.7 HB2 GLU 41 - HD2 LYS 39 far 0 100 0 - 8.6-10.6 HB2 LEU 70 - HD3 LYS 39 far 0 98 0 - 8.7-11.6 HB2 GLU 41 - HD3 LYS 39 far 0 100 0 - 8.7-10.6 HB3 MET 42 - HD3 LYS 44 far 0 86 0 - 8.7-9.8 HB3 MET 42 - HD2 LYS 44 far 0 82 0 - 9.0-9.7 HB3 LYS 39 - HD3 LYS 44 far 0 86 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (1.46, 1.71, 29.31 ppm; 3.14 A increased from 2.79 A): 4 out of 15 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 44 + HD3 LYS 44 OK 47 47 100 100 2.3-3.0 2.9=100 HG3 LYS 44 + HD2 LYS 44 OK 44 44 100 100 2.6-3.0 2.9=100 HG3 LYS 49 - HD2 LYS 44 far 0 83 0 - 3.3-13.2 HG2 LYS 49 - HD2 LYS 44 far 0 83 0 - 4.4-13.7 HG3 LYS 49 - HD3 LYS 44 far 0 86 0 - 4.8-15.0 HG2 LYS 49 - HD3 LYS 44 far 0 86 0 - 5.6-15.5 HG3 ARG 30 - HD3 LYS 44 far 0 83 0 - 5.7-11.2 HB3 LEU 38 - HD2 LYS 39 far 0 99 0 - 6.9-8.3 HG3 ARG 30 - HD2 LYS 44 far 0 80 0 - 6.9-11.7 HB3 LEU 38 - HD3 LYS 39 far 0 99 0 - 7.1-9.0 HG2 LYS 39 - HD3 LYS 44 far 0 86 0 - 8.7-13.6 HG LEU 4 - HD3 LYS 44 far 0 82 0 - 9.0-15.0 HG2 LYS 39 - HD2 LYS 44 far 0 83 0 - 9.6-13.8 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 21 assignments used, quality = 0.97: HE3 LYS 39 + HD2 LYS 39 OK 72 100 80 90 2.3-3.0 3.0=72, 3642/3.0=38...(17) HE2 LYS 39 + HD3 LYS 39 OK 71 100 80 89 2.3-3.0 3.0=72, ~3642=17...(16) HE3 LYS 39 + HD3 LYS 39 OK 36 100 40 90 2.4-3.0 3.0=72, 3642/3.0=38...(17) * HE2 LYS 39 + HD2 LYS 39 OK 36 100 40 90 2.3-3.0 3.0=72, ~3642=17...(16) HE2 LYS 40 - HD3 LYS 44 far 0 72 0 - 4.2-13.2 HE3 LYS 40 - HD3 LYS 44 far 0 66 0 - 4.6-12.8 HE2 LYS 43 - HD2 LYS 39 far 0 100 0 - 4.6-9.6 HE3 LYS 43 - HD3 LYS 39 far 0 99 0 - 5.1-9.2 HE3 LYS 43 - HD2 LYS 39 far 0 99 0 - 5.2-10.2 HE2 LYS 40 - HD3 LYS 39 far 0 89 0 - 5.3-10.7 HE3 LYS 40 - HD3 LYS 39 far 0 84 0 - 5.6-11.2 HE2 LYS 43 - HD3 LYS 39 far 0 100 0 - 5.7-9.8 HE2 LYS 40 - HD2 LYS 44 far 0 68 0 - 5.9-12.6 HE2 LYS 40 - HD2 LYS 39 far 0 90 0 - 6.1-12.2 HE3 LYS 40 - HD2 LYS 44 far 0 63 0 - 6.3-12.3 HE3 LYS 43 - HD3 LYS 44 far 0 84 0 - 6.7-12.1 HE3 LYS 43 - HD2 LYS 44 far 0 81 0 - 6.9-11.4 HE2 LYS 43 - HD3 LYS 44 far 0 86 0 - 6.9-12.0 HE2 LYS 43 - HD2 LYS 44 far 0 83 0 - 7.1-11.5 HE3 LYS 40 - HD2 LYS 39 far 0 84 0 - 7.1-11.7 HE2 LYS 39 - HD3 LYS 44 far 0 86 0 - 9.8-15.7 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 21 assignments used, quality = 0.97: * HE3 LYS 39 + HD2 LYS 39 OK 72 100 80 90 2.3-3.0 3.0=72, 3642/3.0=38...(17) HE2 LYS 39 + HD3 LYS 39 OK 71 100 80 89 2.3-3.0 3.0=72, ~3642=17...(16) HE3 LYS 39 + HD3 LYS 39 OK 36 100 40 90 2.4-3.0 3.0=72, 3642/3.0=38...(17) HE2 LYS 39 + HD2 LYS 39 OK 36 100 40 90 2.3-3.0 3.0=72, ~3642=17...(16) HE2 LYS 40 - HD3 LYS 44 far 0 66 0 - 4.2-13.2 HE3 LYS 40 - HD3 LYS 44 far 0 60 0 - 4.6-12.8 HE2 LYS 43 - HD2 LYS 39 far 0 100 0 - 4.6-9.6 HE3 LYS 43 - HD3 LYS 39 far 0 98 0 - 5.1-9.2 HE3 LYS 43 - HD2 LYS 39 far 0 98 0 - 5.2-10.2 HE2 LYS 40 - HD3 LYS 39 far 0 84 0 - 5.3-10.7 HE3 LYS 40 - HD3 LYS 39 far 0 77 0 - 5.6-11.2 HE2 LYS 43 - HD3 LYS 39 far 0 100 0 - 5.7-9.8 HE2 LYS 40 - HD2 LYS 44 far 0 63 0 - 5.9-12.6 HE2 LYS 40 - HD2 LYS 39 far 0 84 0 - 6.1-12.2 HE3 LYS 40 - HD2 LYS 44 far 0 57 0 - 6.3-12.3 HE3 LYS 43 - HD3 LYS 44 far 0 82 0 - 6.7-12.1 HE3 LYS 43 - HD2 LYS 44 far 0 78 0 - 6.9-11.4 HE2 LYS 43 - HD3 LYS 44 far 0 86 0 - 6.9-12.0 HE2 LYS 43 - HD2 LYS 44 far 0 83 0 - 7.1-11.5 HE3 LYS 40 - HD2 LYS 39 far 0 77 0 - 7.1-11.7 HE2 LYS 39 - HD3 LYS 44 far 0 86 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (7.83, 1.70, 29.31 ppm; 4.80 A increased from 4.04 A): 2 out of 4 assignments used, quality = 1.00: H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-4.6 1246/3.0=88, 3568/3.5=86...(15) * H LYS 39 + HD3 LYS 39 OK 85 100 85 100 3.8-5.0 1245/3.0=88, 3568/3.5=86...(14) HE21 GLN 62 - HD2 LYS 39 far 0 65 0 - 8.0-12.8 HE21 GLN 62 - HD3 LYS 39 far 0 65 0 - 8.2-14.5 Violated in 0 structures by 0.00 A. Peak 3619 from cnoeabs.peaks (3.84, 1.70, 29.31 ppm; 5.01 A increased from 4.22 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.2-5.0 3562/3.0=91, 5.3=85...(41) * HA LYS 39 + HD3 LYS 39 OK 70 100 70 100 4.3-5.5 3562/3.0=91, 5.3=85...(41) HA LYS 39 - HD3 LYS 44 far 0 87 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3620 from cnoeabs.peaks (1.93, 1.70, 29.31 ppm; 2.64 A): 3 out of 23 assignments used, quality = 0.63: HB2 LYS 39 + HD2 LYS 39 OK 32 100 35 91 2.3-3.8 3.5=42, 2.9/3594=12...(34) HB3 LYS 39 + HD3 LYS 39 OK 30 81 40 92 2.4-3.8 3.5=42, 3573/3.0=14...(36) HB3 LYS 39 + HD2 LYS 39 OK 22 80 30 91 2.2-3.7 3.5=42, 3573/3.0=14...(30) ! HB2 LYS 39 - HD3 LYS 39 far 5 100 5 - 2.2-3.8 HB3 LYS 40 - HD3 LYS 44 far 0 73 0 - 5.2-9.1 HB3 GLU 52 - HD3 LYS 44 far 0 51 0 - 5.7-13.7 HB3 GLU 41 - HD3 LYS 44 far 0 61 0 - 6.0-8.0 HB3 MET 42 - HD2 LYS 39 far 0 73 0 - 6.3-7.6 HB3 LYS 40 - HD3 LYS 39 far 0 90 0 - 6.4-9.5 HB3 LYS 40 - HD2 LYS 44 far 0 70 0 - 6.5-8.9 HB3 GLU 52 - HD2 LYS 44 far 0 49 0 - 6.7-12.5 HB3 MET 42 - HD3 LYS 39 far 0 73 0 - 6.8-7.9 HB3 GLU 41 - HD2 LYS 44 far 0 59 0 - 6.9-8.1 HB2 GLU 41 - HD3 LYS 44 far 0 58 0 - 6.9-8.5 HB3 LYS 40 - HD2 LYS 39 far 0 89 0 - 7.1-9.3 HB2 GLU 41 - HD2 LYS 44 far 0 55 0 - 7.6-8.7 HB2 LEU 70 - HD2 LYS 39 far 0 95 0 - 8.6-10.7 HB2 GLU 41 - HD2 LYS 39 far 0 73 0 - 8.6-10.6 HB2 LEU 70 - HD3 LYS 39 far 0 96 0 - 8.7-11.6 HB2 GLU 41 - HD3 LYS 39 far 0 73 0 - 8.7-10.6 HB3 MET 42 - HD3 LYS 44 far 0 58 0 - 8.7-9.8 HB3 MET 42 - HD2 LYS 44 far 0 55 0 - 9.0-9.7 HB3 LYS 39 - HD3 LYS 44 far 0 64 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3621 from cnoeabs.peaks (1.95, 1.70, 29.31 ppm; 2.67 A): 3 out of 23 assignments used, quality = 0.67: * HB3 LYS 39 + HD3 LYS 39 OK 38 100 40 94 2.4-3.8 3.5=43, 3583/3.0=18...(36) HB3 LYS 39 + HD2 LYS 39 OK 28 100 30 92 2.2-3.7 3.5=43, 3583/3.0=18...(30) HB2 LYS 39 + HD2 LYS 39 OK 26 80 35 92 2.3-3.8 3.5=43, 2.9/3594=13...(34) HB2 LYS 39 - HD3 LYS 39 far 4 81 5 - 2.2-3.8 HB3 LYS 40 - HD3 LYS 44 far 0 86 0 - 5.2-9.1 HB3 GLU 52 - HD3 LYS 44 far 0 85 0 - 5.7-13.7 HB3 GLU 41 - HD3 LYS 44 far 0 87 0 - 6.0-8.0 HB3 MET 42 - HD2 LYS 39 far 0 100 0 - 6.3-7.6 HB3 LYS 40 - HD3 LYS 39 far 0 100 0 - 6.4-9.5 HB3 LYS 40 - HD2 LYS 44 far 0 84 0 - 6.5-8.9 HB3 GLU 52 - HD2 LYS 44 far 0 83 0 - 6.7-12.5 HB3 MET 42 - HD3 LYS 39 far 0 100 0 - 6.8-7.9 HB3 GLU 41 - HD2 LYS 44 far 0 85 0 - 6.9-8.1 HB2 GLU 41 - HD3 LYS 44 far 0 87 0 - 6.9-8.5 HB3 LYS 40 - HD2 LYS 39 far 0 100 0 - 7.1-9.3 HB2 GLU 41 - HD2 LYS 44 far 0 84 0 - 7.6-8.7 HB2 LEU 70 - HD2 LYS 39 far 0 98 0 - 8.6-10.7 HB2 GLU 41 - HD2 LYS 39 far 0 100 0 - 8.6-10.6 HB2 LEU 70 - HD3 LYS 39 far 0 98 0 - 8.7-11.6 HB2 GLU 41 - HD3 LYS 39 far 0 100 0 - 8.7-10.6 HB3 MET 42 - HD3 LYS 44 far 0 87 0 - 8.7-9.8 HB3 MET 42 - HD2 LYS 44 far 0 84 0 - 9.0-9.7 HB3 LYS 39 - HD3 LYS 44 far 0 87 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3622 from cnoeabs.peaks (1.46, 1.70, 29.31 ppm; 3.14 A increased from 2.79 A): 4 out of 15 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 44 + HD3 LYS 44 OK 47 47 100 100 2.3-3.0 2.9=100 HG3 LYS 44 + HD2 LYS 44 OK 46 46 100 100 2.6-3.0 2.9=100 HG3 LYS 49 - HD2 LYS 44 far 0 85 0 - 3.3-13.2 HG2 LYS 49 - HD2 LYS 44 far 0 85 0 - 4.4-13.7 HG3 LYS 49 - HD3 LYS 44 far 0 87 0 - 4.8-15.0 HG2 LYS 49 - HD3 LYS 44 far 0 87 0 - 5.6-15.5 HG3 ARG 30 - HD3 LYS 44 far 0 84 0 - 5.7-11.2 HB3 LEU 38 - HD2 LYS 39 far 0 99 0 - 6.9-8.3 HG3 ARG 30 - HD2 LYS 44 far 0 82 0 - 6.9-11.7 HB3 LEU 38 - HD3 LYS 39 far 0 99 0 - 7.1-9.0 HG2 LYS 39 - HD3 LYS 44 far 0 87 0 - 8.7-13.6 HG LEU 4 - HD3 LYS 44 far 0 83 0 - 9.0-15.0 HG2 LYS 39 - HD2 LYS 44 far 0 85 0 - 9.6-13.8 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 21 assignments used, quality = 0.97: HE3 LYS 39 + HD2 LYS 39 OK 72 100 80 90 2.3-3.0 3.0=72, 3642/3.0=38...(17) * HE2 LYS 39 + HD3 LYS 39 OK 71 100 80 89 2.3-3.0 3.0=72, ~3642=17...(16) HE3 LYS 39 + HD3 LYS 39 OK 36 100 40 90 2.4-3.0 3.0=72, 3642/3.0=38...(17) HE2 LYS 39 + HD2 LYS 39 OK 36 100 40 90 2.3-3.0 3.0=72, ~3642=17...(16) HE2 LYS 40 - HD3 LYS 44 far 0 73 0 - 4.2-13.2 HE3 LYS 40 - HD3 LYS 44 far 0 67 0 - 4.6-12.8 HE2 LYS 43 - HD2 LYS 39 far 0 100 0 - 4.6-9.6 HE3 LYS 43 - HD3 LYS 39 far 0 99 0 - 5.1-9.2 HE3 LYS 43 - HD2 LYS 39 far 0 99 0 - 5.2-10.2 HE2 LYS 40 - HD3 LYS 39 far 0 90 0 - 5.3-10.7 HE3 LYS 40 - HD3 LYS 39 far 0 84 0 - 5.6-11.2 HE2 LYS 43 - HD3 LYS 39 far 0 100 0 - 5.7-9.8 HE2 LYS 40 - HD2 LYS 44 far 0 70 0 - 5.9-12.6 HE2 LYS 40 - HD2 LYS 39 far 0 89 0 - 6.1-12.2 HE3 LYS 40 - HD2 LYS 44 far 0 65 0 - 6.3-12.3 HE3 LYS 43 - HD3 LYS 44 far 0 85 0 - 6.7-12.1 HE3 LYS 43 - HD2 LYS 44 far 0 83 0 - 6.9-11.4 HE2 LYS 43 - HD3 LYS 44 far 0 87 0 - 6.9-12.0 HE2 LYS 43 - HD2 LYS 44 far 0 85 0 - 7.1-11.5 HE3 LYS 40 - HD2 LYS 39 far 0 84 0 - 7.1-11.7 HE2 LYS 39 - HD3 LYS 44 far 0 87 0 - 9.8-15.7 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 21 assignments used, quality = 0.97: HE3 LYS 39 + HD2 LYS 39 OK 72 100 80 90 2.3-3.0 3.0=72, 3642/3.0=38...(17) HE2 LYS 39 + HD3 LYS 39 OK 71 100 80 89 2.3-3.0 3.0=72, ~3642=17...(16) * HE3 LYS 39 + HD3 LYS 39 OK 36 100 40 90 2.4-3.0 3.0=72, 3642/3.0=38...(17) HE2 LYS 39 + HD2 LYS 39 OK 36 100 40 90 2.3-3.0 3.0=72, ~3642=17...(16) HE2 LYS 40 - HD3 LYS 44 far 0 67 0 - 4.2-13.2 HE3 LYS 40 - HD3 LYS 44 far 0 61 0 - 4.6-12.8 HE2 LYS 43 - HD2 LYS 39 far 0 100 0 - 4.6-9.6 HE3 LYS 43 - HD3 LYS 39 far 0 98 0 - 5.1-9.2 HE3 LYS 43 - HD2 LYS 39 far 0 98 0 - 5.2-10.2 HE2 LYS 40 - HD3 LYS 39 far 0 84 0 - 5.3-10.7 HE3 LYS 40 - HD3 LYS 39 far 0 77 0 - 5.6-11.2 HE2 LYS 43 - HD3 LYS 39 far 0 100 0 - 5.7-9.8 HE2 LYS 40 - HD2 LYS 44 far 0 65 0 - 5.9-12.6 HE2 LYS 40 - HD2 LYS 39 far 0 84 0 - 6.1-12.2 HE3 LYS 40 - HD2 LYS 44 far 0 59 0 - 6.3-12.3 HE3 LYS 43 - HD3 LYS 44 far 0 83 0 - 6.7-12.1 HE3 LYS 43 - HD2 LYS 44 far 0 80 0 - 6.9-11.4 HE2 LYS 43 - HD3 LYS 44 far 0 87 0 - 6.9-12.0 HE2 LYS 43 - HD2 LYS 44 far 0 85 0 - 7.1-11.5 HE3 LYS 40 - HD2 LYS 39 far 0 77 0 - 7.1-11.7 HE2 LYS 39 - HD3 LYS 44 far 0 87 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (1.93, 2.98, 41.78 ppm; 3.65 A increased from 3.25 A): 5 out of 45 assignments used, quality = 0.99: HB2 LYS 39 + HE3 LYS 39 OK 89 100 90 99 2.0-4.1 2.9/3632=71, 5.0=38...(36) * HB2 LYS 39 + HE2 LYS 39 OK 65 100 65 99 2.1-4.4 ~3642=40, ~3632=40...(32) HB3 LYS 39 + HE2 LYS 39 OK 56 81 70 99 2.2-4.6 ~3642=40, ~3632=40...(34) HB3 LYS 39 + HE3 LYS 39 OK 56 80 70 100 2.2-4.5 2.9/3632=71, 5.0=38...(39) HB3 LYS 40 + HE2 LYS 40 OK 22 64 35 100 2.0-4.3 3711/3.0=57, 5.0=40...(48) HB3 LYS 40 - HE3 LYS 40 poor 14 55 25 - 2.2-4.7 HB2 LYS 39 - HE3 LYS 43 far 10 99 10 - 2.9-7.2 HB3 LYS 39 - HE2 LYS 40 far 6 56 10 - 3.3-9.5 HB2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.6-7.3 HB3 LYS 39 - HE3 LYS 43 far 0 77 0 - 3.8-8.7 HB3 LYS 39 - HE3 LYS 40 far 0 48 0 - 4.0-9.0 HB2 LYS 39 - HE2 LYS 40 far 0 78 0 - 4.1-10.1 HB3 MET 42 - HE3 LYS 43 far 0 70 0 - 4.2-8.1 HB2 LYS 39 - HE3 LYS 40 far 0 68 0 - 4.5-9.8 HB3 LYS 39 - HE2 LYS 43 far 0 80 0 - 4.8-8.7 HB2 LEU 70 - HE2 LYS 73 far 0 94 0 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 73 far 0 95 0 - 5.0-9.6 HB3 MET 42 - HE2 LYS 43 far 0 73 0 - 5.2-8.4 HB2 GLU 41 - HE3 LYS 40 far 0 43 0 - 5.9-9.4 HB3 MET 42 - HE3 LYS 39 far 0 73 0 - 5.9-8.6 HB3 LYS 40 - HE2 LYS 39 far 0 90 0 - 6.0-10.1 HB3 MET 42 - HE2 LYS 40 far 0 50 0 - 6.3-10.4 HB3 MET 42 - HE2 LYS 39 far 0 73 0 - 6.4-8.6 HB3 MET 42 - HE3 LYS 40 far 0 43 0 - 6.8-11.2 HB3 LYS 40 - HE3 LYS 39 far 0 89 0 - 7.0-10.2 HB2 GLU 41 - HE2 LYS 40 far 0 50 0 - 7.0-9.3 HB3 LYS 40 - HE2 LYS 43 far 0 89 0 - 7.1-9.9 HB3 MET 42 - HE2 LYS 73 far 0 71 0 - 7.1-12.6 HB3 GLU 41 - HE3 LYS 40 far 0 45 0 - 7.1-10.1 HB3 LYS 40 - HE3 LYS 43 far 0 86 0 - 7.2-8.9 HB2 LEU 70 - HE3 LYS 43 far 0 93 0 - 7.3-11.9 HB3 MET 42 - HE3 LYS 73 far 0 73 0 - 7.4-13.4 HB3 GLU 41 - HE2 LYS 40 far 0 53 0 - 7.4-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 95 0 - 7.9-11.2 HB2 GLU 41 - HE3 LYS 43 far 0 70 0 - 8.5-11.0 HB2 LEU 70 - HE2 LYS 43 far 0 95 0 - 8.6-12.2 HB2 GLU 41 - HE3 LYS 39 far 0 73 0 - 8.6-11.5 HB2 GLU 41 - HE2 LYS 39 far 0 73 0 - 8.7-11.1 HB3 GLU 41 - HE3 LYS 43 far 0 74 0 - 9.0-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 96 0 - 9.0-11.7 HB2 GLU 41 - HE2 LYS 43 far 0 73 0 - 9.1-11.8 HB2 LYS 39 - HE2 LYS 73 far 0 99 0 - 9.1-14.1 HB3 GLU 41 - HE2 LYS 43 far 0 77 0 - 9.6-12.0 HB2 LYS 39 - HE3 LYS 73 far 0 100 0 - 9.7-14.5 HB2 LYS 65 - HE2 LYS 39 far 0 100 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3631 from cnoeabs.peaks (1.95, 2.98, 41.78 ppm; 3.60 A increased from 3.39 A): 5 out of 45 assignments used, quality = 0.99: HB2 LYS 39 + HE3 LYS 39 OK 71 80 90 99 2.0-4.1 2.9/3632=70, 5.0=37...(36) * HB3 LYS 39 + HE2 LYS 39 OK 70 100 70 99 2.2-4.6 ~3642=39, ~3632=39...(34) HB3 LYS 39 + HE3 LYS 39 OK 70 100 70 100 2.2-4.5 2.9/3632=70, 5.0=37...(39) HB2 LYS 39 + HE2 LYS 39 OK 48 81 60 99 2.1-4.4 ~3642=39, ~3632=39...(32) HB3 LYS 40 + HE2 LYS 40 OK 27 77 35 100 2.0-4.3 3711/3.0=71, 5.0=38...(48) HB3 LYS 40 - HE3 LYS 40 poor 17 67 25 - 2.2-4.7 HB3 LYS 39 - HE2 LYS 40 far 8 78 10 - 3.3-9.5 HB2 LYS 39 - HE3 LYS 43 far 8 77 10 - 2.9-7.2 HB2 LYS 39 - HE2 LYS 43 far 4 80 5 - 3.6-7.3 HB3 LYS 39 - HE3 LYS 43 far 0 99 0 - 3.8-8.7 HB3 LYS 39 - HE3 LYS 40 far 0 68 0 - 4.0-9.0 HB2 LYS 39 - HE2 LYS 40 far 0 56 0 - 4.1-10.1 HB3 MET 42 - HE3 LYS 43 far 0 98 0 - 4.2-8.1 HB2 LYS 39 - HE3 LYS 40 far 0 48 0 - 4.5-9.8 HB3 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.8-8.7 HB2 LEU 70 - HE2 LYS 73 far 0 97 0 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 73 far 0 98 0 - 5.0-9.6 HB3 MET 42 - HE2 LYS 43 far 0 100 0 - 5.2-8.4 HB2 GLU 41 - HE3 LYS 40 far 0 68 0 - 5.9-9.4 HB3 MET 42 - HE3 LYS 39 far 0 100 0 - 5.9-8.6 HB3 LYS 40 - HE2 LYS 39 far 0 100 0 - 6.0-10.1 HB3 MET 42 - HE2 LYS 40 far 0 78 0 - 6.3-10.4 HB3 MET 42 - HE2 LYS 39 far 0 100 0 - 6.4-8.6 HB3 MET 42 - HE3 LYS 40 far 0 68 0 - 6.8-11.2 HB3 LYS 40 - HE3 LYS 39 far 0 99 0 - 7.0-10.2 HB2 GLU 41 - HE2 LYS 40 far 0 78 0 - 7.0-9.3 HB3 LYS 40 - HE2 LYS 43 far 0 100 0 - 7.1-9.9 HB3 MET 42 - HE2 LYS 73 far 0 99 0 - 7.1-12.6 HB3 GLU 41 - HE3 LYS 40 far 0 68 0 - 7.1-10.1 HB3 LYS 40 - HE3 LYS 43 far 0 98 0 - 7.2-8.9 HB2 LEU 70 - HE3 LYS 43 far 0 96 0 - 7.3-11.9 HB3 MET 42 - HE3 LYS 73 far 0 100 0 - 7.4-13.4 HB3 GLU 41 - HE2 LYS 40 far 0 78 0 - 7.4-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 98 0 - 7.9-11.2 HB2 GLU 41 - HE3 LYS 43 far 0 98 0 - 8.5-11.0 HB2 LEU 70 - HE2 LYS 43 far 0 98 0 - 8.6-12.2 HB2 GLU 41 - HE3 LYS 39 far 0 100 0 - 8.6-11.5 HB2 GLU 41 - HE2 LYS 39 far 0 100 0 - 8.7-11.1 HB3 GLU 41 - HE3 LYS 43 far 0 99 0 - 9.0-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 98 0 - 9.0-11.7 HB2 GLU 41 - HE2 LYS 43 far 0 100 0 - 9.1-11.8 HB2 LYS 39 - HE2 LYS 73 far 0 79 0 - 9.1-14.1 HB3 GLU 41 - HE2 LYS 43 far 0 100 0 - 9.6-12.0 HB2 LYS 39 - HE3 LYS 73 far 0 80 0 - 9.7-14.5 HB2 LYS 65 - HE2 LYS 39 far 0 81 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (1.46, 2.98, 41.78 ppm; 2.86 A): 1 out of 20 assignments used, quality = 0.54: HG2 LYS 39 + HE3 LYS 39 OK 54 100 60 91 2.2-4.2 3.6=51, 3.0/3616=16...(29) ! HG2 LYS 39 - HE2 LYS 39 far 15 100 15 - 2.5-3.7 HG2 LYS 39 - HE3 LYS 43 far 0 99 0 - 3.7-9.2 HB2 LEU 74 - HE3 LYS 73 far 0 93 0 - 3.8-9.7 HB2 LEU 74 - HE2 LYS 73 far 0 92 0 - 4.5-9.6 HG2 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.6-8.7 HG3 LYS 44 - HE2 LYS 40 far 0 41 0 - 4.7-10.7 HG3 LYS 44 - HE3 LYS 40 far 0 35 0 - 5.1-10.2 HG2 LYS 39 - HE2 LYS 40 far 0 78 0 - 5.7-11.5 HG2 LYS 39 - HE3 LYS 40 far 0 68 0 - 6.0-10.9 HB3 LEU 38 - HE2 LYS 39 far 0 99 0 - 6.7-10.1 HB3 LEU 38 - HE3 LYS 39 far 0 99 0 - 7.4-10.0 HG3 LYS 44 - HE2 LYS 43 far 0 61 0 - 7.7-10.8 HG3 LYS 44 - HE3 LYS 43 far 0 58 0 - 7.8-10.6 HB3 LEU 38 - HE2 LYS 40 far 0 76 0 - 8.3-11.8 HG2 LYS 49 - HE3 LYS 73 far 0 100 0 - 8.9-23.4 HB2 LEU 74 - HE3 LYS 43 far 0 91 0 - 9.5-14.4 HB2 LEU 74 - HE2 LYS 43 far 0 94 0 - 9.7-14.3 HB3 LEU 38 - HE3 LYS 40 far 0 66 0 - 9.9-11.7 HB3 LEU 38 - HE3 LYS 43 far 0 97 0 - 9.9-13.2 Violated in 9 structures by 0.40 A. Peak 3633 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 13 out of 62 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 71 98 80 90 2.3-3.0 3.0=65, ~3642=15...(17) HD2 LYS 39 + HE3 LYS 39 OK 65 96 75 91 2.3-3.0 3.0=65, 3.0/3632=36...(15) HD3 LYS 43 + HE2 LYS 43 OK 64 77 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 73 + HE3 LYS 73 OK 45 80 60 93 2.3-3.0 2.9=67, 3.0/5198=35...(28) HD2 LYS 73 + HE2 LYS 73 OK 44 79 60 92 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 73 + HE2 LYS 73 OK 39 75 55 93 2.3-3.0 2.9=67, ~5198=15...(31) HD2 LYS 39 + HE2 LYS 39 OK 35 97 40 90 2.3-3.0 3.0=65, 1.8/3626=20...(17) HD3 LYS 73 + HE3 LYS 73 OK 32 76 45 93 2.3-3.0 2.9=67, 3.0/5198=35...(28) HD3 LYS 39 + HE3 LYS 39 OK 31 98 35 91 2.4-3.0 3.0=65, 3.0/3632=36...(15) HD3 LYS 43 + HE3 LYS 43 OK 30 74 45 89 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 40 + HE3 LYS 40 OK 25 40 70 91 2.3-3.0 3.0=63, ~3723=11...(26) * HG3 LYS 39 + HE2 LYS 39 OK 23 100 25 90 2.3-4.2 3.6=36, ~3642=28...(27) HD2 LYS 40 + HE2 LYS 40 OK 21 47 50 90 2.3-3.0 3.0=63, 2.9/3696=15...(25) HD3 LYS 40 - HE2 LYS 40 poor 15 44 35 - 2.4-3.0 HD3 LYS 40 - HE3 LYS 40 poor 13 37 35 - 2.3-3.0 HG LEU 74 - HE3 LYS 73 far 10 98 10 - 1.9-8.5 HG3 LYS 39 - HE3 LYS 39 far 5 100 5 - 2.6-4.2 HG LEU 74 - HE2 LYS 73 far 5 98 5 - 2.4-8.5 HD3 LYS 43 - HE3 LYS 39 far 0 76 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 76 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 65 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 69 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 78 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 45 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 66 0 - 4.6-12.8 HD2 LYS 39 - HE2 LYS 43 far 0 97 0 - 4.6-9.6 HD2 LYS 40 - HE2 LYS 39 far 0 70 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 77 0 - 4.7-10.7 HD3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.1-9.2 HD2 LYS 39 - HE3 LYS 43 far 0 94 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 74 0 - 5.3-10.7 HD3 LYS 40 - HE2 LYS 39 far 0 65 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 53 0 - 5.5-11.1 HD3 LYS 39 - HE3 LYS 40 far 0 64 0 - 5.6-11.2 HD3 LYS 39 - HE2 LYS 43 far 0 98 0 - 5.7-9.8 HD2 LYS 40 - HE3 LYS 43 far 0 66 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 78 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 68 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 72 0 - 6.1-12.2 HD2 LYS 40 - HE2 LYS 43 far 0 69 0 - 6.1-11.0 HG12 ILE 71 - HE3 LYS 73 far 0 98 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 68 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 100 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 65 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 62 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 98 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 97 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 98 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 99 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 100 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 97 0 - 7.1-12.0 HD3 LYS 43 - HE2 LYS 73 far 0 75 0 - 7.1-15.7 HD2 LYS 39 - HE3 LYS 40 far 0 63 0 - 7.1-11.7 HG LEU 74 - HE2 LYS 43 far 0 99 0 - 7.3-12.1 HD3 LYS 43 - HE3 LYS 73 far 0 76 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 77 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 74 0 - 7.8-15.5 HD2 LYS 73 - HE3 LYS 43 far 0 77 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 80 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 97 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 99 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (1.71, 2.98, 41.78 ppm; 3.00 A increased from 2.40 A): 5 out of 34 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 39 + HE2 LYS 39 OK 38 97 40 98 2.3-4.2 3.6=59, ~3642=41...(33) HG3 LYS 39 - HE3 LYS 39 far 14 96 15 - 2.6-4.2 HG LEU 74 - HE3 LYS 73 far 10 100 10 - 1.9-8.5 HG LEU 74 - HE2 LYS 73 far 10 99 10 - 2.4-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 77 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 72 0 - 4.4-10.4 HD3 LYS 44 - HE3 LYS 40 far 0 67 0 - 4.6-12.8 HD2 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.6-9.6 HD3 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.1-9.2 HD2 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 78 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 94 0 - 5.4-9.6 HD3 LYS 39 - HE3 LYS 40 far 0 68 0 - 5.6-11.2 HD3 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.7-9.8 HD2 LYS 44 - HE2 LYS 40 far 0 75 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 63 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 78 0 - 6.1-12.2 HG12 ILE 71 - HE3 LYS 73 far 0 86 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 65 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 97 0 - 6.3-9.6 HG12 ILE 71 - HE2 LYS 73 far 0 85 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 98 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 97 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 98 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 68 0 - 7.1-11.7 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 7.3-12.1 HG12 ILE 71 - HE3 LYS 43 far 0 83 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 100 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 3.00 A increased from 2.40 A): 5 out of 34 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HE2 LYS 39 OK 39 98 40 98 2.3-4.2 3.6=59, ~3642=41...(33) HG3 LYS 39 - HE3 LYS 39 far 15 98 15 - 2.6-4.2 HG LEU 74 - HE3 LYS 73 far 10 100 10 - 1.9-8.5 HG LEU 74 - HE2 LYS 73 far 10 99 10 - 2.4-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 78 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 74 0 - 4.4-10.4 HD3 LYS 44 - HE3 LYS 40 far 0 68 0 - 4.6-12.8 HD2 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.6-9.6 HD3 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.1-9.2 HD2 LYS 39 - HE3 LYS 43 far 0 99 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 78 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.4-9.6 HD3 LYS 39 - HE3 LYS 40 far 0 68 0 - 5.6-11.2 HD3 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.7-9.8 HD2 LYS 44 - HE2 LYS 40 far 0 76 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 64 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 78 0 - 6.1-12.2 HG12 ILE 71 - HE3 LYS 73 far 0 89 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 66 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 98 0 - 6.3-9.6 HG12 ILE 71 - HE2 LYS 73 far 0 88 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 98 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 97 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 99 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 68 0 - 7.1-11.7 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 7.3-12.1 HG12 ILE 71 - HE3 LYS 43 far 0 86 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 100 0 - 9.8-15.7 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): 2 out of 8 assignments used, quality = 1.00: * H LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.8-6.1 1244/3.6=98...(14) H LYS 39 + HE2 LYS 39 OK 95 100 95 100 3.8-6.3 1246/3.6=98, 615/3.6=93...(14) H LYS 39 - HE2 LYS 40 poor 14 68 20 - 5.2-9.2 H LYS 39 - HE3 LYS 43 far 5 96 5 - 6.2-9.8 H LYS 39 - HE3 LYS 40 far 3 57 5 - 6.2-8.8 H LYS 39 - HE2 LYS 43 far 0 100 0 - 7.1-9.9 HE21 GLN 62 - HE2 LYS 39 far 0 65 0 - 9.2-14.0 HE21 GLN 62 - HE3 LYS 39 far 0 65 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (1.93, 2.98, 41.78 ppm; 3.67 A increased from 3.26 A): 5 out of 45 assignments used, quality = 0.99: * HB2 LYS 39 + HE3 LYS 39 OK 90 100 90 99 2.0-4.1 2.9/3642=72, 5.0=39...(36) HB2 LYS 39 + HE2 LYS 39 OK 64 100 65 99 2.1-4.4 ~3642=41, ~3632=41...(32) HB3 LYS 39 + HE3 LYS 39 OK 56 81 70 100 2.2-4.5 2.9/3642=72, 5.0=39...(39) HB3 LYS 39 + HE2 LYS 39 OK 56 80 70 99 2.2-4.6 ~3642=41, ~3632=41...(34) HB3 LYS 40 + HE2 LYS 40 OK 22 55 40 100 2.0-4.3 3711/3.0=58, 5.0=40...(48) HB3 LYS 40 - HE3 LYS 40 poor 11 46 25 - 2.2-4.7 HB2 LYS 39 - HE3 LYS 43 far 10 96 10 - 2.9-7.2 HB2 LYS 39 - HE2 LYS 43 far 5 100 5 - 3.6-7.3 HB3 LYS 39 - HE2 LYS 40 far 5 48 10 - 3.3-9.5 HB3 LYS 39 - HE3 LYS 43 far 4 73 5 - 3.8-8.7 HB3 LYS 39 - HE3 LYS 40 far 0 39 0 - 4.0-9.0 HB2 LYS 39 - HE2 LYS 40 far 0 68 0 - 4.1-10.1 HB3 MET 42 - HE3 LYS 43 far 0 66 0 - 4.2-8.1 HB2 LYS 39 - HE3 LYS 40 far 0 57 0 - 4.5-9.8 HB3 LYS 39 - HE2 LYS 43 far 0 80 0 - 4.8-8.7 HB2 LEU 70 - HE2 LYS 73 far 0 95 0 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 73 far 0 93 0 - 5.0-9.6 HB3 MET 42 - HE2 LYS 43 far 0 73 0 - 5.2-8.4 HB2 GLU 41 - HE3 LYS 40 far 0 35 0 - 5.9-9.4 HB3 MET 42 - HE3 LYS 39 far 0 73 0 - 5.9-8.6 HB3 LYS 40 - HE2 LYS 39 far 0 89 0 - 6.0-10.1 HB3 MET 42 - HE2 LYS 40 far 0 43 0 - 6.3-10.4 HB3 MET 42 - HE2 LYS 39 far 0 73 0 - 6.4-8.6 HB3 MET 42 - HE3 LYS 40 far 0 35 0 - 6.8-11.2 HB3 LYS 40 - HE3 LYS 39 far 0 90 0 - 7.0-10.2 HB2 GLU 41 - HE2 LYS 40 far 0 43 0 - 7.0-9.3 HB3 LYS 40 - HE2 LYS 43 far 0 89 0 - 7.1-9.9 HB3 MET 42 - HE2 LYS 73 far 0 73 0 - 7.1-12.6 HB3 GLU 41 - HE3 LYS 40 far 0 37 0 - 7.1-10.1 HB3 LYS 40 - HE3 LYS 43 far 0 82 0 - 7.2-8.9 HB2 LEU 70 - HE3 LYS 43 far 0 89 0 - 7.3-11.9 HB3 MET 42 - HE3 LYS 73 far 0 70 0 - 7.4-13.4 HB3 GLU 41 - HE2 LYS 40 far 0 45 0 - 7.4-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 96 0 - 7.9-11.2 HB2 GLU 41 - HE3 LYS 43 far 0 66 0 - 8.5-11.0 HB2 LEU 70 - HE2 LYS 43 far 0 95 0 - 8.6-12.2 HB2 GLU 41 - HE3 LYS 39 far 0 73 0 - 8.6-11.5 HB2 GLU 41 - HE2 LYS 39 far 0 73 0 - 8.7-11.1 HB3 GLU 41 - HE3 LYS 43 far 0 70 0 - 9.0-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 95 0 - 9.0-11.7 HB2 GLU 41 - HE2 LYS 43 far 0 73 0 - 9.1-11.8 HB2 LYS 39 - HE2 LYS 73 far 0 100 0 - 9.1-14.1 HB3 GLU 41 - HE2 LYS 43 far 0 77 0 - 9.6-12.0 HB2 LYS 39 - HE3 LYS 73 far 0 99 0 - 9.7-14.5 HB2 LYS 65 - HE2 LYS 39 far 0 100 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3641 from cnoeabs.peaks (1.95, 2.98, 41.78 ppm; 3.69 A increased from 3.28 A): 5 out of 45 assignments used, quality = 0.99: HB2 LYS 39 + HE3 LYS 39 OK 72 81 90 99 2.0-4.1 2.9/3642=73, 5.0=40...(36) * HB3 LYS 39 + HE3 LYS 39 OK 70 100 70 100 2.2-4.5 2.9/3642=73, 5.0=40...(39) HB3 LYS 39 + HE2 LYS 39 OK 70 100 70 100 2.2-4.6 ~3642=41, ~3632=41...(34) HB2 LYS 39 + HE2 LYS 39 OK 51 80 65 99 2.1-4.4 ~3642=41, ~3632=41...(32) HB3 LYS 40 + HE2 LYS 40 OK 27 67 40 100 2.0-4.3 3711/3.0=74, 5.0=41...(48) HB3 LYS 40 - HE3 LYS 40 poor 14 56 25 - 2.2-4.7 HB2 LYS 39 - HE3 LYS 43 far 7 73 10 - 2.9-7.2 HB3 LYS 39 - HE2 LYS 40 far 7 68 10 - 3.3-9.5 HB3 LYS 39 - HE3 LYS 43 far 5 96 5 - 3.8-8.7 HB2 LYS 39 - HE2 LYS 43 far 4 80 5 - 3.6-7.3 HB3 LYS 39 - HE3 LYS 40 far 0 57 0 - 4.0-9.0 HB2 LYS 39 - HE2 LYS 40 far 0 48 0 - 4.1-10.1 HB3 MET 42 - HE3 LYS 43 far 0 95 0 - 4.2-8.1 HB2 LYS 39 - HE3 LYS 40 far 0 39 0 - 4.5-9.8 HB3 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.8-8.7 HB2 LEU 70 - HE2 LYS 73 far 0 98 0 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 73 far 0 96 0 - 5.0-9.6 HB3 MET 42 - HE2 LYS 43 far 0 100 0 - 5.2-8.4 HB2 GLU 41 - HE3 LYS 40 far 0 57 0 - 5.9-9.4 HB3 MET 42 - HE3 LYS 39 far 0 100 0 - 5.9-8.6 HB3 LYS 40 - HE2 LYS 39 far 0 99 0 - 6.0-10.1 HB3 MET 42 - HE2 LYS 40 far 0 68 0 - 6.3-10.4 HB3 MET 42 - HE2 LYS 39 far 0 100 0 - 6.4-8.6 HB3 MET 42 - HE3 LYS 40 far 0 57 0 - 6.8-11.2 HB3 LYS 40 - HE3 LYS 39 far 0 100 0 - 7.0-10.2 HB2 GLU 41 - HE2 LYS 40 far 0 68 0 - 7.0-9.3 HB3 LYS 40 - HE2 LYS 43 far 0 100 0 - 7.1-9.9 HB3 MET 42 - HE2 LYS 73 far 0 100 0 - 7.1-12.6 HB3 GLU 41 - HE3 LYS 40 far 0 57 0 - 7.1-10.1 HB3 LYS 40 - HE3 LYS 43 far 0 95 0 - 7.2-8.9 HB2 LEU 70 - HE3 LYS 43 far 0 92 0 - 7.3-11.9 HB3 MET 42 - HE3 LYS 73 far 0 98 0 - 7.4-13.4 HB3 GLU 41 - HE2 LYS 40 far 0 68 0 - 7.4-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 98 0 - 7.9-11.2 HB2 GLU 41 - HE3 LYS 43 far 0 95 0 - 8.5-11.0 HB2 LEU 70 - HE2 LYS 43 far 0 98 0 - 8.6-12.2 HB2 GLU 41 - HE3 LYS 39 far 0 100 0 - 8.6-11.5 HB2 GLU 41 - HE2 LYS 39 far 0 100 0 - 8.7-11.1 HB3 GLU 41 - HE3 LYS 43 far 0 96 0 - 9.0-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 98 0 - 9.0-11.7 HB2 GLU 41 - HE2 LYS 43 far 0 100 0 - 9.1-11.8 HB2 LYS 39 - HE2 LYS 73 far 0 80 0 - 9.1-14.1 HB3 GLU 41 - HE2 LYS 43 far 0 100 0 - 9.6-12.0 HB2 LYS 39 - HE3 LYS 73 far 0 77 0 - 9.7-14.5 HB2 LYS 65 - HE2 LYS 39 far 0 80 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3642 from cnoeabs.peaks (1.46, 2.98, 41.78 ppm; 2.85 A): 1 out of 20 assignments used, quality = 0.54: * HG2 LYS 39 + HE3 LYS 39 OK 54 100 60 90 2.2-4.2 3.6=51, 3.0/3617=16...(27) HG2 LYS 39 - HE2 LYS 39 far 15 100 15 - 2.5-3.7 HG2 LYS 39 - HE3 LYS 43 far 0 96 0 - 3.7-9.2 HB2 LEU 74 - HE3 LYS 73 far 0 91 0 - 3.8-9.7 HB2 LEU 74 - HE2 LYS 73 far 0 94 0 - 4.5-9.6 HG2 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.6-8.7 HG3 LYS 44 - HE2 LYS 40 far 0 35 0 - 4.7-10.7 HG3 LYS 44 - HE3 LYS 40 far 0 28 0 - 5.1-10.2 HG2 LYS 39 - HE2 LYS 40 far 0 68 0 - 5.7-11.5 HG2 LYS 39 - HE3 LYS 40 far 0 57 0 - 6.0-10.9 HB3 LEU 38 - HE2 LYS 39 far 0 99 0 - 6.7-10.1 HB3 LEU 38 - HE3 LYS 39 far 0 99 0 - 7.4-10.0 HG3 LYS 44 - HE2 LYS 43 far 0 61 0 - 7.7-10.8 HG3 LYS 44 - HE3 LYS 43 far 0 55 0 - 7.8-10.6 HB3 LEU 38 - HE2 LYS 40 far 0 66 0 - 8.3-11.8 HG2 LYS 49 - HE3 LYS 73 far 0 99 0 - 8.9-23.4 HB2 LEU 74 - HE3 LYS 43 far 0 87 0 - 9.5-14.4 HB2 LEU 74 - HE2 LYS 43 far 0 94 0 - 9.7-14.3 HB3 LEU 38 - HE3 LYS 40 far 0 56 0 - 9.9-11.7 HB3 LEU 38 - HE3 LYS 43 far 0 94 0 - 9.9-13.2 Violated in 9 structures by 0.41 A. Peak 3643 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 12 out of 62 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 70 98 80 90 2.3-3.0 3.0=65, ~3642=15...(17) HD2 LYS 39 + HE3 LYS 39 OK 66 97 75 91 2.3-3.0 3.0=65, 3.0/3642=36...(15) HD3 LYS 43 + HE2 LYS 43 OK 64 77 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 73 + HE2 LYS 73 OK 44 80 60 92 2.3-3.0 2.9=67, ~5198=15...(31) HD2 LYS 73 + HE3 LYS 73 OK 43 77 60 93 2.3-3.0 2.9=67, 3.0/5198=36...(28) HD3 LYS 73 + HE2 LYS 73 OK 39 77 55 93 2.3-3.0 2.9=67, ~5198=15...(31) HD2 LYS 39 + HE2 LYS 39 OK 35 96 40 90 2.3-3.0 3.0=65, 1.8/3627=20...(17) HD3 LYS 39 + HE3 LYS 39 OK 31 98 35 91 2.4-3.0 3.0=65, 3.0/3642=36...(15) HD3 LYS 73 + HE3 LYS 73 OK 31 74 45 94 2.3-3.0 2.9=67, 3.0/5198=36...(28) HD3 LYS 43 + HE3 LYS 43 OK 28 70 45 89 2.5-3.0 3.0=63, 2.9/3884=12...(37) HG3 LYS 39 + HE2 LYS 39 OK 22 100 25 90 2.3-4.2 3.6=36, ~3642=28...(27) HD2 LYS 40 + HE3 LYS 40 OK 21 33 70 91 2.3-3.0 3.0=63, ~3723=11...(26) HD2 LYS 40 - HE2 LYS 40 poor 20 40 50 - 2.3-3.0 HD3 LYS 40 - HE2 LYS 40 poor 13 37 35 - 2.4-3.0 HD3 LYS 40 - HE3 LYS 40 poor 11 31 35 - 2.3-3.0 HG LEU 74 - HE3 LYS 73 far 10 97 10 - 1.9-8.5 ! HG3 LYS 39 - HE3 LYS 39 far 5 100 5 - 2.6-4.2 HG LEU 74 - HE2 LYS 73 far 5 99 5 - 2.4-8.5 HD3 LYS 43 - HE3 LYS 39 far 0 77 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 66 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 65 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 70 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 68 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 37 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 56 0 - 4.6-12.8 HD2 LYS 39 - HE2 LYS 43 far 0 97 0 - 4.6-9.6 HD2 LYS 40 - HE2 LYS 39 far 0 69 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 76 0 - 4.7-10.7 HD3 LYS 39 - HE3 LYS 43 far 0 92 0 - 5.1-9.2 HD2 LYS 39 - HE3 LYS 43 far 0 90 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 64 0 - 5.3-10.7 HD3 LYS 40 - HE2 LYS 39 far 0 65 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 45 0 - 5.5-11.1 HD3 LYS 39 - HE3 LYS 40 far 0 54 0 - 5.6-11.2 HD3 LYS 39 - HE2 LYS 43 far 0 98 0 - 5.7-9.8 HD2 LYS 40 - HE3 LYS 43 far 0 62 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 68 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 57 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 63 0 - 6.1-12.2 HD2 LYS 40 - HE2 LYS 43 far 0 69 0 - 6.1-11.0 HG12 ILE 71 - HE3 LYS 73 far 0 97 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 57 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 100 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 65 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 58 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 99 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 94 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 95 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 99 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 100 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 93 0 - 7.1-12.0 HD3 LYS 43 - HE2 LYS 73 far 0 77 0 - 7.1-15.7 HD2 LYS 39 - HE3 LYS 40 far 0 52 0 - 7.1-11.7 HG LEU 74 - HE2 LYS 43 far 0 99 0 - 7.3-12.1 HD3 LYS 43 - HE3 LYS 73 far 0 74 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 77 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 70 0 - 7.8-15.5 HD2 LYS 73 - HE3 LYS 43 far 0 73 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 80 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 93 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 99 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 3644 from cnoeabs.peaks (1.71, 2.98, 41.78 ppm; 3.00 A increased from 2.40 A): 5 out of 34 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HE2 LYS 39 OK 38 96 40 98 2.3-4.2 3.6=59, ~3642=41...(33) HG3 LYS 39 - HE3 LYS 39 far 15 97 15 - 2.6-4.2 HG LEU 74 - HE2 LYS 73 far 10 100 10 - 2.4-8.5 HG LEU 74 - HE3 LYS 73 far 10 98 10 - 1.9-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 67 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 63 0 - 4.4-10.4 HD3 LYS 44 - HE3 LYS 40 far 0 56 0 - 4.6-12.8 HD2 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.6-9.6 HD3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.1-9.2 HD2 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 68 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 90 0 - 5.4-9.6 HD3 LYS 39 - HE3 LYS 40 far 0 57 0 - 5.6-11.2 HD3 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.7-9.8 HD2 LYS 44 - HE2 LYS 40 far 0 65 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 52 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 68 0 - 6.1-12.2 HG12 ILE 71 - HE3 LYS 73 far 0 83 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 55 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 97 0 - 6.3-9.6 HG12 ILE 71 - HE2 LYS 73 far 0 87 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 95 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 93 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 95 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 57 0 - 7.1-11.7 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 7.3-12.1 HG12 ILE 71 - HE3 LYS 43 far 0 79 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 99 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 3.00 A increased from 2.40 A): 5 out of 34 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HE2 LYS 39 OK 38 98 40 98 2.3-4.2 3.6=59, ~3642=41...(33) HG3 LYS 39 - HE3 LYS 39 far 15 98 15 - 2.6-4.2 HG LEU 74 - HE2 LYS 73 far 10 100 10 - 2.4-8.5 HG LEU 74 - HE3 LYS 73 far 10 99 10 - 1.9-8.5 HD3 LYS 44 - HE2 LYS 40 far 0 68 0 - 4.2-13.2 HG3 LYS 39 - HE2 LYS 40 far 0 64 0 - 4.4-10.4 HD3 LYS 44 - HE3 LYS 40 far 0 57 0 - 4.6-12.8 HD2 LYS 39 - HE2 LYS 43 far 0 100 0 - 4.6-9.6 HD3 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.1-9.2 HD2 LYS 39 - HE3 LYS 43 far 0 96 0 - 5.2-10.2 HD3 LYS 39 - HE2 LYS 40 far 0 68 0 - 5.3-10.7 HG3 LYS 39 - HE3 LYS 43 far 0 92 0 - 5.4-9.6 HD3 LYS 39 - HE3 LYS 40 far 0 57 0 - 5.6-11.2 HD3 LYS 39 - HE2 LYS 43 far 0 100 0 - 5.7-9.8 HD2 LYS 44 - HE2 LYS 40 far 0 66 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 54 0 - 6.0-9.7 HD2 LYS 39 - HE2 LYS 40 far 0 68 0 - 6.1-12.2 HG12 ILE 71 - HE3 LYS 73 far 0 86 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 56 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 98 0 - 6.3-9.6 HG12 ILE 71 - HE2 LYS 73 far 0 89 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 95 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 94 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 100 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 99 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 96 0 - 7.1-12.0 HD2 LYS 39 - HE3 LYS 40 far 0 57 0 - 7.1-11.7 HG LEU 74 - HE2 LYS 43 far 0 100 0 - 7.3-12.1 HG12 ILE 71 - HE3 LYS 43 far 0 82 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 100 0 - 9.8-15.7 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 2.7-2.9 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; 3.04 A increased from 2.86 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HA LYS 40 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3651 from cnoeabs.peaks (1.95, 4.02, 59.59 ppm; 2.81 A): 1 out of 9 assignments used, quality = 0.99: * HB3 LYS 40 + HA LYS 40 OK 99 100 100 99 2.3-2.7 3.0=81, 3711/3655=40...(17) HB3 LYS 39 - HA LYS 40 far 0 100 0 - 4.0-5.4 HB2 LYS 39 - HA LYS 40 far 0 90 0 - 4.6-5.0 HB3 MET 42 - HA LYS 40 far 0 99 0 - 5.2-5.8 HB2 LYS 123 - HA GLU 119 far 0 82 0 - 5.4-8.0 HB2 GLU 41 - HA LYS 40 far 0 99 0 - 5.7-5.8 HB3 LYS 115 - HA GLU 119 far 0 82 0 - 6.5-8.7 HB3 GLU 41 - HA LYS 40 far 0 99 0 - 6.6-6.6 HB2 LYS 115 - HA GLU 119 far 0 63 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 3652 from cnoeabs.peaks (1.38, 4.02, 59.59 ppm; 3.57 A increased from 3.36 A): 2 out of 2 assignments used, quality = 0.99: * HG2 LYS 40 + HA LYS 40 OK 95 100 95 100 2.3-4.0 1.8/3653=78, 2.7/3651=74...(22) HG3 LYS 43 + HA LYS 40 OK 73 94 90 87 2.5-5.0 3.0/8065=62, 3679=43...(5) Violated in 0 structures by 0.00 A. Peak 3653 from cnoeabs.peaks (1.62, 4.02, 59.59 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.95: * HG3 LYS 40 + HA LYS 40 OK 95 100 95 100 2.1-3.6 3689=75, 2.7/3651=68...(22) HB ILE 116 - HA GLU 119 far 0 85 0 - 8.0-8.4 Violated in 2 structures by 0.01 A. Peak 3654 from cnoeabs.peaks (1.68, 4.02, 59.59 ppm; 3.30 A): 1 out of 7 assignments used, quality = 0.25: * HD2 LYS 40 + HA LYS 40 OK 25 100 25 99 1.7-4.5 3701/3651=65...(24) HD3 LYS 40 - HA LYS 40 far 5 100 5 - 3.3-4.6 HD2 LYS 43 - HA LYS 40 far 5 100 5 - 3.3-6.0 HG3 LYS 39 - HA LYS 40 far 0 70 0 - 3.5-6.2 HD3 LYS 43 - HA LYS 40 far 0 100 0 - 3.6-6.3 HG3 LYS 123 - HA GLU 119 far 0 63 0 - 4.2-7.2 HD2 LYS 44 - HA LYS 40 far 0 61 0 - 6.6-8.9 Violated in 16 structures by 0.61 A. Peak 3655 from cnoeabs.peaks (1.68, 4.02, 59.59 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.25: HD2 LYS 40 + HA LYS 40 OK 25 100 25 99 1.7-4.5 3711/3651=65...(24) ! HD3 LYS 40 - HA LYS 40 far 5 100 5 - 3.3-4.6 HD2 LYS 43 - HA LYS 40 far 5 100 5 - 3.3-6.0 HG3 LYS 39 - HA LYS 40 far 0 65 0 - 3.5-6.2 HD3 LYS 43 - HA LYS 40 far 0 100 0 - 3.6-6.3 HG3 LYS 123 - HA GLU 119 far 0 59 0 - 4.2-7.2 Violated in 16 structures by 0.61 A. Peak 3657 from cnoeabs.peaks (2.97, 4.02, 59.59 ppm; 6.20 A): 6 out of 7 assignments used, quality = 1.00: * HE3 LYS 40 + HA LYS 40 OK 100 100 100 100 2.2-5.9 3.0/3654=100...(31) HE2 LYS 40 + HA LYS 40 OK 100 100 100 100 1.8-5.5 3.0/3654=100...(27) HE3 LYS 43 + HA LYS 40 OK 87 94 95 98 4.6-6.4 4.7/8065=92, 7.0/2055=56 HE2 LYS 43 + HA LYS 40 OK 43 81 55 98 4.7-7.2 4.7/8065=92, 7.0/2055=56 HD3 ARG 118 + HA GLU 119 OK 26 93 30 91 5.3-7.9 ~751=62, ~752=55, ~11198=49 HE3 LYS 39 + HA LYS 40 OK 20 77 55 48 4.9-8.4 1257/3.0=16, 3.6/7108=15...(4) HE2 LYS 39 - HA LYS 40 poor 19 84 50 46 4.3-8.6 1257/3.0=18, 3.6/7108=15...(4) 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 2.1-2.3 1251=100, 3668/1.8=61...(16) 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 6 assignments used, quality = 1.00: * HB3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 41 - HB2 LYS 40 far 0 99 0 - 4.2-5.1 HB3 LYS 39 - HB2 LYS 40 far 0 100 0 - 4.4-5.6 HB3 GLU 41 - HB2 LYS 40 far 0 99 0 - 5.7-6.2 HB2 LYS 39 - HB2 LYS 40 far 0 90 0 - 5.8-6.2 HB3 MET 42 - HB2 LYS 40 far 0 99 0 - 6.3-7.1 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 2.2-3.0 2.7=100 HG3 LYS 43 - HB2 LYS 40 far 0 94 0 - 5.2-7.8 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): 1 out of 6 assignments used, quality = 0.80: * HD2 LYS 40 + HB2 LYS 40 OK 80 100 80 100 2.6-3.6 3701/1.8=81, 3700=79...(49) HG3 LYS 39 - HB2 LYS 40 far 0 70 0 - 3.5-6.0 HD3 LYS 40 - HB2 LYS 40 far 0 100 0 - 3.6-4.2 HD2 LYS 43 - HB2 LYS 40 far 0 100 0 - 6.0-8.8 HD3 LYS 43 - HB2 LYS 40 far 0 100 0 - 6.5-9.0 HD2 LYS 44 - HB2 LYS 40 far 0 61 0 - 8.2-10.1 Violated in 4 structures by 0.06 A. Peak 3665 from cnoeabs.peaks (1.68, 1.99, 32.40 ppm; 3.12 A): 1 out of 5 assignments used, quality = 0.80: HD2 LYS 40 + HB2 LYS 40 OK 80 100 80 100 2.6-3.6 3711/1.8=81, 3710=79...(49) HG3 LYS 39 - HB2 LYS 40 far 0 65 0 - 3.5-6.0 ! HD3 LYS 40 - HB2 LYS 40 far 0 100 0 - 3.6-4.2 HD2 LYS 43 - HB2 LYS 40 far 0 100 0 - 6.0-8.8 HD3 LYS 43 - HB2 LYS 40 far 0 100 0 - 6.5-9.0 Violated in 4 structures by 0.06 A. Peak 3666 from cnoeabs.peaks (2.97, 1.99, 32.40 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.97: * HE2 LYS 40 + HB2 LYS 40 OK 90 100 90 100 2.5-5.0 3.0/3665=86, 5.0=72...(49) HE3 LYS 40 + HB2 LYS 40 OK 75 100 75 100 3.6-4.8 3.0/3664=86, 5.0=72...(53) HE2 LYS 39 - HB2 LYS 40 far 0 90 0 - 5.4-8.6 HE3 LYS 39 - HB2 LYS 40 far 0 84 0 - 5.8-8.9 HE3 LYS 43 - HB2 LYS 40 far 0 97 0 - 6.9-9.1 HE2 LYS 43 - HB2 LYS 40 far 0 87 0 - 7.5-9.9 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 = 0.97: HE2 LYS 40 + HB2 LYS 40 OK 90 100 90 100 2.5-5.0 3.0/3665=86, 5.0=72...(49) * HE3 LYS 40 + HB2 LYS 40 OK 75 100 75 100 3.6-4.8 3.0/3664=86, 5.0=72...(53) HE2 LYS 39 - HB2 LYS 40 far 0 84 0 - 5.4-8.6 HE3 LYS 39 - HB2 LYS 40 far 0 77 0 - 5.8-8.9 HE3 LYS 43 - HB2 LYS 40 far 0 94 0 - 6.9-9.1 HE2 LYS 43 - HB2 LYS 40 far 0 81 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (7.78, 1.95, 32.40 ppm; 3.66 A increased from 3.25 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.1-3.6 1251/1.8=95, 4.0=74...(15) H LYS 96 - HB3 LYS 65 far 0 59 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3669 from cnoeabs.peaks (4.02, 1.95, 32.40 ppm; 3.02 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 123 + HB2 LYS 123 OK 73 73 100 100 2.5-3.0 2.9=100 HA PHE 120 - HB2 LYS 123 far 7 74 10 - 2.7-4.5 HA GLU 66 - HB2 LYS 65 far 0 67 0 - 3.8-4.1 HA GLU 66 - HB3 LYS 65 far 0 62 0 - 4.4-5.4 HB2 SER 126 - HB2 LYS 123 far 0 73 0 - 4.5-6.7 HA GLU 119 - HB2 LYS 123 far 0 71 0 - 5.4-8.0 HB3 SER 126 - HB2 LYS 123 far 0 66 0 - 5.6-7.2 HA GLU 119 - HB3 LYS 115 far 0 51 0 - 6.5-8.7 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 7 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 - 7.0-8.5 HB VAL 22 - HB VAL 29 far 0 83 0 - 7.5-8.4 HB3 GLU 103 - HB2 LYS 123 far 0 73 0 - 7.6-8.9 HB3 LYS 96 - HB2 LYS 65 far 0 35 0 - 8.3-9.7 HB3 GLU 21 - HB3 LYS 115 far 0 31 0 - 8.8-9.8 HB2 LYS 17 - HB3 LYS 115 far 0 53 0 - 9.9-11.5 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 6 assignments used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-3.0 2.7=100 HG3 LYS 43 - HB3 LYS 40 far 0 94 0 - 5.2-7.5 HB3 LEU 114 - HB3 LYS 115 far 0 28 0 - 5.8-6.8 HB3 LEU 68 - HB3 LYS 65 far 0 64 0 - 5.9-7.5 HB3 LEU 68 - HB2 LYS 65 far 0 68 0 - 6.9-7.4 HG LEU 14 - HB3 LYS 115 far 0 54 0 - 9.5-11.8 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 9 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 0 56 0 - 4.2-5.9 HB3 LEU 64 - HB2 LYS 65 far 0 60 0 - 5.0-5.5 HB ILE 116 - HB3 LYS 115 far 0 45 0 - 5.1-6.7 HD3 LYS 77 - HB2 LYS 123 far 0 73 0 - 6.0-8.8 HD2 LYS 77 - HB2 LYS 123 far 0 72 0 - 6.5-8.7 HB3 LEU 127 - HB2 LYS 123 far 0 68 0 - 6.9-8.6 HG LEU 63 - HB2 LYS 65 far 0 69 0 - 7.7-8.2 HG LEU 63 - HB3 LYS 65 far 0 64 0 - 8.0-9.8 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 14 assignments used, quality = 0.97: * HD2 LYS 40 + HB3 LYS 40 OK 90 100 90 100 2.0-3.5 3701=100, 3664/1.8=61...(42) HD3 LYS 40 + HB3 LYS 40 OK 45 100 45 100 2.9-4.2 1.8/3711=73, 3694/2.7=54...(43) HG3 LYS 123 + HB2 LYS 123 OK 44 44 100 100 2.3-3.0 2.9=98, 2.9/7129=38...(21) HG3 LYS 39 - HB3 LYS 40 far 0 70 0 - 4.8-7.4 HD3 LYS 96 - HB3 LYS 65 far 0 64 0 - 5.3-11.2 HD2 LYS 43 - HB3 LYS 40 far 0 100 0 - 5.8-8.5 HD3 LYS 43 - HB3 LYS 40 far 0 100 0 - 5.9-8.8 HD2 LYS 96 - HB3 LYS 65 far 0 64 0 - 6.2-10.9 HD2 LYS 44 - HB3 LYS 40 far 0 61 0 - 6.5-8.9 HD3 LYS 96 - HB2 LYS 65 far 0 69 0 - 6.7-12.3 HD2 LYS 20 - HB VAL 29 far 0 83 0 - 7.1-11.9 HD3 LYS 20 - HB VAL 29 far 0 85 0 - 7.3-10.7 HD2 LYS 96 - HB2 LYS 65 far 0 69 0 - 7.8-12.1 HB ILE 54 - HB VAL 29 far 0 88 0 - 9.6-10.1 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 13 assignments used, quality = 0.97: HD2 LYS 40 + HB3 LYS 40 OK 90 100 90 100 2.0-3.5 3711=100, 3665/1.8=61...(42) * HD3 LYS 40 + HB3 LYS 40 OK 45 100 45 100 2.9-4.2 1.8/3711=73, 3695/2.7=54...(43) HG3 LYS 123 + HB2 LYS 123 OK 41 41 100 100 2.3-3.0 2.9=98, 2.9/7129=38...(21) HG3 LYS 39 - HB3 LYS 40 far 0 65 0 - 4.8-7.4 HD3 LYS 96 - HB3 LYS 65 far 0 64 0 - 5.3-11.2 HD2 LYS 43 - HB3 LYS 40 far 0 100 0 - 5.8-8.5 HD3 LYS 43 - HB3 LYS 40 far 0 100 0 - 5.9-8.8 HD2 LYS 96 - HB3 LYS 65 far 0 64 0 - 6.2-10.9 HD3 LYS 96 - HB2 LYS 65 far 0 68 0 - 6.7-12.3 HD2 LYS 20 - HB VAL 29 far 0 82 0 - 7.1-11.9 HD3 LYS 20 - HB VAL 29 far 0 83 0 - 7.3-10.7 HD2 LYS 96 - HB2 LYS 65 far 0 69 0 - 7.8-12.1 HB ILE 54 - HB VAL 29 far 0 88 0 - 9.6-10.1 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 10 assignments used, quality = 1.00: * HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.0-4.3 3.0/3701=93, 5.0=74...(48) HE3 LYS 40 + HB3 LYS 40 OK 85 100 85 100 2.2-4.7 3.0/3711=93, 5.0=74...(48) HD3 ARG 118 + HB3 LYS 115 OK 22 53 45 91 2.6-7.0 10540/3.0=66, ~10539=44...(4) HE2 LYS 39 - HB3 LYS 40 far 0 90 0 - 6.0-10.1 HE3 LYS 39 - HB3 LYS 40 far 0 84 0 - 7.0-10.2 HE2 LYS 43 - HB3 LYS 40 far 0 87 0 - 7.1-9.9 HE3 LYS 43 - HB3 LYS 40 far 0 97 0 - 7.2-8.9 HE2 LYS 20 - HB VAL 29 far 0 86 0 - 8.0-11.8 HE3 LYS 20 - HB VAL 29 far 0 86 0 - 8.3-12.9 HE2 LYS 39 - HB2 LYS 65 far 0 56 0 - 9.9-15.8 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 10 assignments used, quality = 1.00: HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.0-4.3 3.0/3701=93, 5.0=74...(48) * HE3 LYS 40 + HB3 LYS 40 OK 85 100 85 100 2.2-4.7 3.0/3711=93, 5.0=74...(48) HD3 ARG 118 + HB3 LYS 115 OK 21 51 45 91 2.6-7.0 10540/3.0=65, ~10539=44...(4) HE2 LYS 39 - HB3 LYS 40 far 0 84 0 - 6.0-10.1 HE3 LYS 39 - HB3 LYS 40 far 0 77 0 - 7.0-10.2 HE2 LYS 43 - HB3 LYS 40 far 0 81 0 - 7.1-9.9 HE3 LYS 43 - HB3 LYS 40 far 0 94 0 - 7.2-8.9 HE2 LYS 20 - HB VAL 29 far 0 87 0 - 8.0-11.8 HE3 LYS 20 - HB VAL 29 far 0 87 0 - 8.3-12.9 HE2 LYS 39 - HB2 LYS 65 far 0 51 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (7.78, 1.38, 24.98 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.9-4.2 1253=100, 1251/2.7=91...(19) H LYS 40 - HG3 LYS 43 far 4 84 5 - 4.0-6.7 H LYS 96 - HG2 LYS 94 far 0 44 0 - 4.8-6.9 Violated in 2 structures by 0.01 A. Peak 3679 from cnoeabs.peaks (4.02, 1.38, 24.98 ppm; 3.47 A): 2 out of 4 assignments used, quality = 0.95: * HA LYS 40 + HG2 LYS 40 OK 85 100 85 100 2.3-4.0 3653/1.8=74, 3651/2.7=71...(22) HA LYS 40 + HG3 LYS 43 OK 64 84 90 84 2.5-5.0 8065/3.0=59, 3652=40...(5) HA GLU 92 - HG2 LYS 94 far 0 40 0 - 6.2-8.3 HA GLU 87 - HG2 LYS 94 far 0 35 0 - 7.3-9.1 Violated in 0 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 2.2-3.0 2.7=100 HB2 LYS 40 - HG3 LYS 43 far 0 84 0 - 5.2-7.8 HB3 LYS 96 - HG2 LYS 94 far 0 23 0 - 6.6-8.6 HB3 GLU 103 - HG2 LYS 94 far 0 47 0 - 8.6-10.9 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 14 assignments used, quality = 1.00: * HB3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-3.0 2.7=100 HB VAL 104 - HG2 LYS 94 far 7 48 15 - 2.7-4.5 HB2 LYS 39 - HG3 LYS 43 far 0 70 0 - 3.5-5.2 HB3 LYS 39 - HG3 LYS 43 far 0 83 0 - 3.9-6.5 HB3 MET 42 - HG3 LYS 43 far 0 81 0 - 4.0-5.5 HB2 GLU 41 - HG2 LYS 40 far 0 99 0 - 4.2-7.4 HB3 LYS 39 - HG2 LYS 40 far 0 100 0 - 4.5-6.8 HB3 LYS 40 - HG3 LYS 43 far 0 84 0 - 5.2-7.5 HB3 GLU 41 - HG2 LYS 40 far 0 99 0 - 5.6-8.3 HB2 LYS 39 - HG2 LYS 40 far 0 90 0 - 5.8-8.1 HB2 GLU 41 - HG3 LYS 43 far 0 81 0 - 6.5-8.4 HB3 GLU 41 - HG3 LYS 43 far 0 82 0 - 7.3-8.9 HB3 MET 42 - HG2 LYS 40 far 0 99 0 - 7.5-8.5 HB2 LEU 70 - HG3 LYS 43 far 0 83 0 - 8.6-10.4 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 HG3 LYS 40 - HG3 LYS 43 far 0 84 0 - 3.9-7.0 HG LEU 90 - HG2 LYS 94 far 0 23 0 - 4.2-6.2 HB2 LEU 82 - HG2 LYS 94 far 0 48 0 - 4.7-7.4 Violated in 0 structures by 0.00 A. Peak 3684 from cnoeabs.peaks (1.68, 1.38, 24.98 ppm; 2.74 A increased from 2.58 A): 4 out of 16 assignments used, quality = 0.99: * HD2 LYS 40 + HG2 LYS 40 OK 90 100 90 100 2.5-3.0 2.9=82, 3701/2.7=49...(32) HD2 LYS 43 + HG3 LYS 43 OK 66 83 80 99 2.3-3.0 2.9=83, 3826/3.0=14...(82) HD3 LYS 40 + HG2 LYS 40 OK 50 100 50 100 2.3-2.9 2.9=82, 3694/1.8=66...(38) HD3 LYS 43 + HG3 LYS 43 OK 33 84 40 99 2.4-3.0 2.9=83, 3864/1.8=18...(79) HG3 ARG 95 - HG2 LYS 94 far 0 45 0 - 2.9-7.8 HG3 LYS 39 - HG2 LYS 40 far 0 70 0 - 3.0-7.9 HD2 LYS 40 - HG3 LYS 43 far 0 84 0 - 3.6-8.7 HD3 LYS 43 - HG2 LYS 40 far 0 100 0 - 4.4-10.1 HG3 LYS 39 - HG3 LYS 43 far 0 52 0 - 4.5-8.1 HD3 LYS 40 - HG3 LYS 43 far 0 84 0 - 4.9-8.6 HD2 LYS 43 - HG2 LYS 40 far 0 100 0 - 5.0-9.7 HD2 LYS 96 - HG2 LYS 94 far 0 48 0 - 6.8-10.7 HD2 LYS 44 - HG3 LYS 43 far 0 45 0 - 7.3-9.4 HD2 LYS 44 - HG2 LYS 40 far 0 61 0 - 7.5-11.6 HD3 LYS 96 - HG2 LYS 94 far 0 48 0 - 7.8-10.9 HD3 LYS 73 - HG3 LYS 43 far 0 84 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (1.68, 1.38, 24.98 ppm; 2.74 A increased from 2.58 A): 4 out of 14 assignments used, quality = 0.99: HD2 LYS 40 + HG2 LYS 40 OK 90 100 90 100 2.5-3.0 2.9=82, 3711/2.7=49...(32) HD2 LYS 43 + HG3 LYS 43 OK 66 84 80 99 2.3-3.0 2.9=83, 3826/3.0=14...(82) * HD3 LYS 40 + HG2 LYS 40 OK 50 100 50 100 2.3-2.9 2.9=82, 3695/1.8=66...(38) HD3 LYS 43 + HG3 LYS 43 OK 33 83 40 99 2.4-3.0 2.9=83, 3864/1.8=18...(79) HG3 ARG 95 - HG2 LYS 94 far 0 46 0 - 2.9-7.8 HG3 LYS 39 - HG2 LYS 40 far 0 65 0 - 3.0-7.9 HD2 LYS 40 - HG3 LYS 43 far 0 84 0 - 3.6-8.7 HD3 LYS 43 - HG2 LYS 40 far 0 100 0 - 4.4-10.1 HG3 LYS 39 - HG3 LYS 43 far 0 48 0 - 4.5-8.1 HD3 LYS 40 - HG3 LYS 43 far 0 84 0 - 4.9-8.6 HD2 LYS 43 - HG2 LYS 40 far 0 100 0 - 5.0-9.7 HD2 LYS 96 - HG2 LYS 94 far 0 48 0 - 6.8-10.7 HD3 LYS 96 - HG2 LYS 94 far 0 48 0 - 7.8-10.9 HD3 LYS 73 - HG3 LYS 43 far 0 83 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 3686 from cnoeabs.peaks (2.97, 1.38, 24.98 ppm; 3.59 A increased from 3.38 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 40 + HG2 LYS 40 OK 85 100 85 100 2.1-4.2 3.9=76, 3723/1.8=61...(48) HE3 LYS 40 + HG2 LYS 40 OK 85 100 85 100 2.1-4.2 3.9=76, 3733/1.8=51...(53) HE3 LYS 43 + HG3 LYS 43 OK 74 78 95 100 2.2-3.8 3.9=77, 3849/1.8=31...(94) HE2 LYS 43 + HG3 LYS 43 OK 40 67 60 100 2.3-4.0 3.9=77, 3849/1.8=31...(92) HE2 LYS 40 - HG3 LYS 43 far 13 84 15 - 3.1-9.3 HE3 LYS 40 - HG3 LYS 43 far 4 84 5 - 2.7-10.4 HE3 LYS 106 - HG2 LYS 94 far 2 31 5 - 3.6-7.4 HE3 LYS 39 - HG3 LYS 43 far 0 64 0 - 3.7-8.5 HE2 LYS 106 - HG2 LYS 94 far 0 29 0 - 3.9-7.7 HE2 LYS 39 - HG2 LYS 40 far 0 90 0 - 4.0-9.4 HE2 LYS 39 - HG3 LYS 43 far 0 70 0 - 4.4-9.4 HE3 LYS 39 - HG2 LYS 40 far 0 84 0 - 5.0-10.2 HE3 LYS 43 - HG2 LYS 40 far 0 97 0 - 6.3-9.5 HE2 LYS 43 - HG2 LYS 40 far 0 87 0 - 6.6-11.0 HE2 LYS 73 - HG3 LYS 43 far 0 61 0 - 9.2-15.5 HE3 LYS 73 - HG3 LYS 43 far 0 74 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 3687 from cnoeabs.peaks (2.97, 1.38, 24.98 ppm; 3.59 A increased from 3.38 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HG2 LYS 40 OK 85 100 85 100 2.1-4.2 3.9=76, 3733/1.8=51...(53) HE2 LYS 40 + HG2 LYS 40 OK 85 100 85 100 2.1-4.2 3.9=76, 3723/1.8=61...(48) HE3 LYS 43 + HG3 LYS 43 OK 71 74 95 100 2.2-3.8 3.9=77, 3849/1.8=29...(94) HE2 LYS 43 + HG3 LYS 43 OK 37 61 60 100 2.3-4.0 3.9=77, 3849/1.8=29...(92) HE2 LYS 40 - HG3 LYS 43 far 13 84 15 - 3.1-9.3 HE3 LYS 40 - HG3 LYS 43 far 4 84 5 - 2.7-10.4 HE3 LYS 106 - HG2 LYS 94 far 2 35 5 - 3.6-7.4 HE3 LYS 39 - HG3 LYS 43 far 0 58 0 - 3.7-8.5 HE2 LYS 106 - HG2 LYS 94 far 0 33 0 - 3.9-7.7 HE2 LYS 39 - HG2 LYS 40 far 0 84 0 - 4.0-9.4 HE2 LYS 39 - HG3 LYS 43 far 0 64 0 - 4.4-9.4 HE3 LYS 39 - HG2 LYS 40 far 0 77 0 - 5.0-10.2 HE3 LYS 43 - HG2 LYS 40 far 0 94 0 - 6.3-9.5 HE2 LYS 43 - HG2 LYS 40 far 0 81 0 - 6.6-11.0 HE2 LYS 73 - HG3 LYS 43 far 0 55 0 - 9.2-15.5 HE3 LYS 73 - HG3 LYS 43 far 0 70 0 - 9.8-16.2 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 = 0.95: * H LYS 40 + HG3 LYS 40 OK 95 100 95 100 2.7-4.0 1254=100, 1251/2.7=84...(18) Violated in 1 structures by 0.01 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 2.1-3.6 3653=100, 3651/2.7=78...(22) Violated in 0 structures by 0.00 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): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.6-3.0 2.7=100 HB2 GLU 41 - HG3 LYS 40 far 0 99 0 - 3.7-7.3 HB3 LYS 39 - HG3 LYS 40 far 0 100 0 - 3.7-6.6 HB3 GLU 41 - HG3 LYS 40 far 0 99 0 - 4.7-8.3 HB2 LYS 39 - HG3 LYS 40 far 0 90 0 - 5.3-7.6 HB3 MET 42 - HG3 LYS 40 far 0 99 0 - 6.6-8.3 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 - 3.9-7.0 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; 2.70 A increased from 2.40 A): 1 out of 6 assignments used, quality = 1.00: HD3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.3-2.7 2.9=78, 3.0/3723=28...(44) ! HD2 LYS 40 - HG3 LYS 40 far 10 100 10 - 2.6-3.0 HG3 LYS 39 - HG3 LYS 40 far 0 70 0 - 2.9-7.9 HD2 LYS 43 - HG3 LYS 40 far 0 100 0 - 3.9-9.2 HD3 LYS 43 - HG3 LYS 40 far 0 100 0 - 5.5-9.0 HD2 LYS 44 - HG3 LYS 40 far 0 61 0 - 6.1-10.6 Violated in 0 structures by 0.00 A. Peak 3695 from cnoeabs.peaks (1.68, 1.62, 24.98 ppm; 2.70 A increased from 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.3-2.7 2.9=78, 3.0/3723=28...(44) HD2 LYS 40 - HG3 LYS 40 far 10 100 10 - 2.6-3.0 HG3 LYS 39 - HG3 LYS 40 far 0 65 0 - 2.9-7.9 HD2 LYS 43 - HG3 LYS 40 far 0 100 0 - 3.9-9.2 HD3 LYS 43 - HG3 LYS 40 far 0 100 0 - 5.5-9.0 Violated in 0 structures by 0.00 A. Peak 3696 from cnoeabs.peaks (2.97, 1.62, 24.98 ppm; 3.52 A): 2 out of 6 assignments used, quality = 0.92: * HE2 LYS 40 + HG3 LYS 40 OK 85 100 85 100 2.3-4.0 3.9=72, 3.0/3695=69...(54) HE3 LYS 40 + HG3 LYS 40 OK 45 100 45 100 2.2-4.2 3.9=72, 3.0/3695=69...(59) HE2 LYS 39 - HG3 LYS 40 far 4 90 5 - 3.4-9.1 HE3 LYS 39 - HG3 LYS 40 far 0 84 0 - 4.9-9.8 HE3 LYS 43 - HG3 LYS 40 far 0 97 0 - 5.3-8.5 HE2 LYS 43 - HG3 LYS 40 far 0 87 0 - 5.5-9.9 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 = 0.92: HE2 LYS 40 + HG3 LYS 40 OK 85 100 85 100 2.3-4.0 3.9=72, 3.0/3695=69...(54) * HE3 LYS 40 + HG3 LYS 40 OK 45 100 45 100 2.2-4.2 3.9=72, 3.0/3695=69...(59) HE2 LYS 39 - HG3 LYS 40 far 4 84 5 - 3.4-9.1 HE3 LYS 39 - HG3 LYS 40 far 0 77 0 - 4.9-9.8 HE3 LYS 43 - HG3 LYS 40 far 0 94 0 - 5.3-8.5 HE2 LYS 43 - HG3 LYS 40 far 0 81 0 - 5.5-9.9 Violated in 0 structures by 0.00 A. Peak 3699 from cnoeabs.peaks (4.02, 1.68, 29.33 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.75: HA GLU 13 + HD3 LYS 16 OK 67 87 90 86 1.9-3.7 11425/2.9=41...(8) * HA LYS 40 + HD2 LYS 40 OK 25 100 25 100 1.7-4.5 3654=100, 3651/3701=67...(24) HA LYS 40 - HD3 LYS 40 far 5 100 5 - 3.3-4.6 HA GLU 13 - HD2 LYS 16 far 5 93 5 - 2.7-4.9 Violated in 1 structures by 0.01 A. Peak 3700 from cnoeabs.peaks (1.99, 1.68, 29.33 ppm; 3.37 A increased from 2.84 A): 1 out of 6 assignments used, quality = 0.90: * HB2 LYS 40 + HD2 LYS 40 OK 90 100 90 100 2.6-3.6 3664=100, 1.8/3701=88...(49) HB2 LYS 40 - HD3 LYS 40 far 0 100 0 - 3.6-4.2 HB2 LYS 17 - HD3 LYS 16 far 0 88 0 - 4.4-7.9 HB2 LYS 17 - HD2 LYS 16 far 0 94 0 - 4.9-7.6 HB3 GLU 21 - HD2 LYS 16 far 0 62 0 - 8.1-11.7 HB3 GLU 21 - HD3 LYS 16 far 0 55 0 - 8.7-12.5 Violated in 2 structures by 0.02 A. Peak 3701 from cnoeabs.peaks (1.95, 1.68, 29.33 ppm; 2.69 A): 1 out of 12 assignments used, quality = 0.89: * HB3 LYS 40 + HD2 LYS 40 OK 89 100 90 99 2.0-3.5 1.8/3664=52, 3.6=42...(43) HB3 LYS 39 - HD2 LYS 40 far 0 100 0 - 2.8-8.0 HB3 LYS 40 - HD3 LYS 40 far 0 100 0 - 2.9-4.2 HB3 LYS 39 - HD3 LYS 40 far 0 100 0 - 4.0-8.1 HB2 LYS 39 - HD2 LYS 40 far 0 90 0 - 4.1-8.4 HB2 LYS 39 - HD3 LYS 40 far 0 89 0 - 5.3-8.3 HB2 GLU 41 - HD3 LYS 40 far 0 99 0 - 5.9-8.7 HB3 MET 42 - HD2 LYS 40 far 0 99 0 - 6.0-9.6 HB2 GLU 41 - HD2 LYS 40 far 0 99 0 - 6.1-7.4 HB3 GLU 41 - HD3 LYS 40 far 0 99 0 - 6.7-9.7 HB3 GLU 41 - HD2 LYS 40 far 0 99 0 - 7.4-8.4 HB3 MET 42 - HD3 LYS 40 far 0 99 0 - 7.7-10.1 Violated in 2 structures by 0.07 A. Peak 3702 from cnoeabs.peaks (1.38, 1.68, 29.33 ppm; 2.61 A): 3 out of 10 assignments used, quality = 0.86: HG2 LYS 40 + HD3 LYS 40 OK 50 100 50 100 2.3-2.9 2.9=70, 1.8/3694=60...(36) HG3 LYS 16 + HD3 LYS 16 OK 49 55 90 98 2.3-3.0 2.9=70, 1.8/2774=14...(45) * HG2 LYS 40 + HD2 LYS 40 OK 45 100 45 99 2.5-3.0 2.9=70, 2.7/3701=44...(30) HG3 LYS 16 - HD2 LYS 16 poor 18 62 30 - 2.4-3.0 HG3 LYS 43 - HD2 LYS 40 far 0 94 0 - 3.6-8.7 HG3 LYS 43 - HD3 LYS 40 far 0 94 0 - 4.9-8.6 HG LEU 14 - HD3 LYS 16 far 0 88 0 - 9.1-10.8 HB3 LEU 114 - HD3 LYS 16 far 0 52 0 - 9.1-12.6 HB3 LEU 114 - HD2 LYS 16 far 0 58 0 - 9.3-12.0 HG LEU 14 - HD2 LYS 16 far 0 95 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3703 from cnoeabs.peaks (1.62, 1.68, 29.33 ppm; 2.70 A increased from 2.40 A): 3 out of 4 assignments used, quality = 1.00: HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-2.7 3694=100, 3723/3.0=28...(42) HG2 LYS 16 + HD2 LYS 16 OK 44 90 50 99 2.6-3.0 2.9=78, ~2785=27...(31) HG2 LYS 16 + HD3 LYS 16 OK 41 83 50 99 2.3-3.0 2.9=78, 1.8/2785=42...(41) ! HG3 LYS 40 - HD2 LYS 40 far 10 100 10 - 2.6-3.0 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; 3.13 A increased from 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 - HD3 LYS 40 far 0 84 0 - 4.3-11.0 HE3 LYS 39 - HD2 LYS 40 far 0 84 0 - 4.3-11.3 HE2 LYS 39 - HD2 LYS 40 far 0 90 0 - 4.7-11.1 HE3 LYS 20 - HD2 LYS 16 far 0 93 0 - 4.9-10.8 HE2 LYS 20 - HD2 LYS 16 far 0 93 0 - 5.2-10.6 HE2 LYS 39 - HD3 LYS 40 far 0 89 0 - 5.3-10.9 HE3 LYS 43 - HD2 LYS 40 far 0 97 0 - 5.9-10.5 HE2 LYS 20 - HD3 LYS 16 far 0 87 0 - 5.9-11.2 HE2 LYS 43 - HD2 LYS 40 far 0 87 0 - 6.1-11.0 HE3 LYS 20 - HD3 LYS 16 far 0 87 0 - 6.1-10.9 HE2 LYS 43 - HD3 LYS 40 far 0 87 0 - 6.5-10.7 HE3 LYS 43 - HD3 LYS 40 far 0 97 0 - 6.6-10.3 Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 3.13 A increased from 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 - HD3 LYS 40 far 0 77 0 - 4.3-11.0 HE3 LYS 39 - HD2 LYS 40 far 0 77 0 - 4.3-11.3 HE2 LYS 39 - HD2 LYS 40 far 0 84 0 - 4.7-11.1 HE3 LYS 20 - HD2 LYS 16 far 0 95 0 - 4.9-10.8 HE2 LYS 20 - HD2 LYS 16 far 0 95 0 - 5.2-10.6 HE2 LYS 39 - HD3 LYS 40 far 0 84 0 - 5.3-10.9 HE3 LYS 43 - HD2 LYS 40 far 0 94 0 - 5.9-10.5 HE2 LYS 20 - HD3 LYS 16 far 0 88 0 - 5.9-11.2 HE2 LYS 43 - HD2 LYS 40 far 0 81 0 - 6.1-11.0 HE3 LYS 20 - HD3 LYS 16 far 0 88 0 - 6.1-10.9 HE2 LYS 43 - HD3 LYS 40 far 0 80 0 - 6.5-10.7 HE3 LYS 43 - HD3 LYS 40 far 0 94 0 - 6.6-10.3 Violated in 0 structures by 0.00 A. Peak 3709 from cnoeabs.peaks (4.02, 1.68, 29.33 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.73: HA GLU 13 + HD3 LYS 16 OK 65 84 90 86 1.9-3.7 11425/2.9=41...(8) HA LYS 40 + HD2 LYS 40 OK 25 100 25 100 1.7-4.5 3655=100, 3651/3711=67...(24) ! HA LYS 40 - HD3 LYS 40 far 5 100 5 - 3.3-4.6 HA GLU 13 - HD2 LYS 16 far 5 92 5 - 2.7-4.9 Violated in 1 structures by 0.01 A. Peak 3710 from cnoeabs.peaks (1.99, 1.68, 29.33 ppm; 3.37 A increased from 2.84 A): 1 out of 6 assignments used, quality = 0.90: HB2 LYS 40 + HD2 LYS 40 OK 90 100 90 100 2.6-3.6 3665=100, 1.8/3711=88...(49) ! HB2 LYS 40 - HD3 LYS 40 far 0 100 0 - 3.6-4.2 HB2 LYS 17 - HD3 LYS 16 far 0 84 0 - 4.4-7.9 HB2 LYS 17 - HD2 LYS 16 far 0 92 0 - 4.9-7.6 HB3 GLU 21 - HD2 LYS 16 far 0 60 0 - 8.1-11.7 HB3 GLU 21 - HD3 LYS 16 far 0 53 0 - 8.7-12.5 Violated in 2 structures by 0.02 A. Peak 3711 from cnoeabs.peaks (1.95, 1.68, 29.33 ppm; 2.69 A): 1 out of 12 assignments used, quality = 0.89: HB3 LYS 40 + HD2 LYS 40 OK 89 100 90 99 2.0-3.5 1.8/3665=52, 3.6=42...(43) HB3 LYS 39 - HD2 LYS 40 far 0 100 0 - 2.8-8.0 ! HB3 LYS 40 - HD3 LYS 40 far 0 100 0 - 2.9-4.2 HB3 LYS 39 - HD3 LYS 40 far 0 100 0 - 4.0-8.1 HB2 LYS 39 - HD2 LYS 40 far 0 89 0 - 4.1-8.4 HB2 LYS 39 - HD3 LYS 40 far 0 90 0 - 5.3-8.3 HB2 GLU 41 - HD3 LYS 40 far 0 99 0 - 5.9-8.7 HB3 MET 42 - HD2 LYS 40 far 0 99 0 - 6.0-9.6 HB2 GLU 41 - HD2 LYS 40 far 0 99 0 - 6.1-7.4 HB3 GLU 41 - HD3 LYS 40 far 0 99 0 - 6.7-9.7 HB3 GLU 41 - HD2 LYS 40 far 0 99 0 - 7.4-8.4 HB3 MET 42 - HD3 LYS 40 far 0 99 0 - 7.7-10.1 Violated in 2 structures by 0.07 A. Peak 3712 from cnoeabs.peaks (1.38, 1.68, 29.33 ppm; 2.61 A): 3 out of 10 assignments used, quality = 0.85: * HG2 LYS 40 + HD3 LYS 40 OK 50 100 50 100 2.3-2.9 2.9=70, 1.8/3695=60...(36) HG3 LYS 16 + HD3 LYS 16 OK 46 53 90 98 2.3-3.0 2.9=70, 1.8/2774=14...(45) HG2 LYS 40 + HD2 LYS 40 OK 45 100 45 99 2.5-3.0 2.9=70, 2.7/3711=44...(30) HG3 LYS 16 - HD2 LYS 16 poor 18 60 30 - 2.4-3.0 HG3 LYS 43 - HD2 LYS 40 far 0 94 0 - 3.6-8.7 HG3 LYS 43 - HD3 LYS 40 far 0 94 0 - 4.9-8.6 HG LEU 14 - HD3 LYS 16 far 0 85 0 - 9.1-10.8 HB3 LEU 114 - HD3 LYS 16 far 0 49 0 - 9.1-12.6 HB3 LEU 114 - HD2 LYS 16 far 0 56 0 - 9.3-12.0 HG LEU 14 - HD2 LYS 16 far 0 93 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (1.62, 1.68, 29.33 ppm; 2.70 A increased from 2.40 A): 3 out of 4 assignments used, quality = 1.00: * HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-2.7 3695=100, 3723/3.0=28...(42) HG2 LYS 16 + HD2 LYS 16 OK 44 88 50 99 2.6-3.0 2.9=78, ~2785=27...(31) HG2 LYS 16 + HD3 LYS 16 OK 39 80 50 99 2.3-3.0 2.9=78, 1.8/2785=38...(41) HG3 LYS 40 - HD2 LYS 40 far 10 100 10 - 2.6-3.0 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; 3.13 A increased from 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 - HD3 LYS 40 far 0 84 0 - 4.3-11.0 HE3 LYS 39 - HD2 LYS 40 far 0 84 0 - 4.3-11.3 HE2 LYS 39 - HD2 LYS 40 far 0 89 0 - 4.7-11.1 HE3 LYS 20 - HD2 LYS 16 far 0 92 0 - 4.9-10.8 HE2 LYS 20 - HD2 LYS 16 far 0 92 0 - 5.2-10.6 HE2 LYS 39 - HD3 LYS 40 far 0 90 0 - 5.3-10.9 HE3 LYS 43 - HD2 LYS 40 far 0 97 0 - 5.9-10.5 HE2 LYS 20 - HD3 LYS 16 far 0 84 0 - 5.9-11.2 HE2 LYS 43 - HD2 LYS 40 far 0 87 0 - 6.1-11.0 HE3 LYS 20 - HD3 LYS 16 far 0 84 0 - 6.1-10.9 HE2 LYS 43 - HD3 LYS 40 far 0 87 0 - 6.5-10.7 HE3 LYS 43 - HD3 LYS 40 far 0 97 0 - 6.6-10.3 Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 3.13 A increased from 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 - HD3 LYS 40 far 0 77 0 - 4.3-11.0 HE3 LYS 39 - HD2 LYS 40 far 0 77 0 - 4.3-11.3 HE2 LYS 39 - HD2 LYS 40 far 0 84 0 - 4.7-11.1 HE3 LYS 20 - HD2 LYS 16 far 0 93 0 - 4.9-10.8 HE2 LYS 20 - HD2 LYS 16 far 0 93 0 - 5.2-10.6 HE2 LYS 39 - HD3 LYS 40 far 0 84 0 - 5.3-10.9 HE3 LYS 43 - HD2 LYS 40 far 0 94 0 - 5.9-10.5 HE2 LYS 20 - HD3 LYS 16 far 0 85 0 - 5.9-11.2 HE2 LYS 43 - HD2 LYS 40 far 0 80 0 - 6.1-11.0 HE3 LYS 20 - HD3 LYS 16 far 0 85 0 - 6.1-10.9 HE2 LYS 43 - HD3 LYS 40 far 0 81 0 - 6.5-10.7 HE3 LYS 43 - HD3 LYS 40 far 0 94 0 - 6.6-10.3 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (7.78, 2.97, 41.78 ppm; 6.20 A): 4 out of 6 assignments used, quality = 1.00: H LYS 40 + HE3 LYS 40 OK 95 100 95 100 4.1-6.4 1254/3.9=94, 1251/5.0=93...(15) * H LYS 40 + HE2 LYS 40 OK 90 100 90 100 3.2-6.9 1254/3.9=94, 1251/5.0=93...(15) H LYS 40 + HE2 LYS 39 OK 74 78 95 100 4.4-6.7 1256/3.6=94, 1252/5.0=93...(11) H LYS 40 + HE3 LYS 39 OK 58 68 85 100 4.2-6.9 1256/3.6=94, 1252/5.0=93...(11) H LYS 40 - HE3 LYS 43 far 14 93 15 - 5.2-8.3 H LYS 40 - HE2 LYS 43 far 0 73 0 - 6.3-8.4 Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (1.99, 2.97, 41.78 ppm; 4.36 A increased from 3.67 A): 2 out of 12 assignments used, quality = 0.96: * HB2 LYS 40 + HE2 LYS 40 OK 85 100 85 100 2.5-5.0 3664/3.0=84, 5.0=68...(49) HB2 LYS 40 + HE3 LYS 40 OK 75 100 75 100 3.6-4.8 3665/3.0=84, 5.0=68...(53) HB2 LYS 40 - HE2 LYS 39 far 0 78 0 - 5.4-8.6 HB2 LYS 40 - HE3 LYS 39 far 0 68 0 - 5.8-8.9 HB2 LYS 17 - HE3 LYS 20 far 0 98 0 - 6.4-9.8 HB3 GLU 21 - HE3 LYS 20 far 0 66 0 - 6.7-9.0 HB2 LYS 17 - HE2 LYS 20 far 0 98 0 - 6.9-9.1 HB2 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.9-9.1 HB3 GLU 21 - HE2 LYS 20 far 0 66 0 - 7.2-9.2 HB2 LYS 40 - HE2 LYS 43 far 0 73 0 - 7.5-9.9 HB VAL 22 - HE3 LYS 20 far 0 96 0 - 9.0-11.3 HB VAL 22 - HE2 LYS 20 far 0 96 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (1.95, 2.97, 41.78 ppm; 3.60 A increased from 3.39 A): 6 out of 47 assignments used, quality = 0.96: HB3 LYS 39 + HE2 LYS 39 OK 54 77 70 99 2.2-4.6 ~3642=39, ~3632=39...(34) HB2 LYS 39 + HE3 LYS 39 OK 49 55 90 98 2.0-4.1 2.9/3632=41, 5.0=37...(36) HB3 LYS 39 + HE3 LYS 39 OK 47 67 70 99 2.2-4.5 2.9/3632=41, 5.0=37...(39) HB2 LYS 39 + HE2 LYS 39 OK 38 64 60 99 2.1-4.4 ~3642=39, ~3632=39...(32) * HB3 LYS 40 + HE2 LYS 40 OK 35 100 35 100 2.0-4.3 3711/3.0=72, 2.7/3723=50...(48) HB3 LYS 40 + HE3 LYS 40 OK 25 100 25 100 2.2-4.7 3711/3.0=72, 2.7/3733=42...(48) HB3 LYS 39 - HE2 LYS 40 far 10 100 10 - 3.3-9.5 HB2 LYS 39 - HE3 LYS 43 far 8 79 10 - 2.9-7.2 HB2 LYS 39 - HE2 LYS 43 far 3 60 5 - 3.6-7.3 HB3 LYS 39 - HE3 LYS 43 far 0 92 0 - 3.8-8.7 HB3 LYS 39 - HE3 LYS 40 far 0 99 0 - 4.0-9.0 HB2 LYS 39 - HE2 LYS 40 far 0 90 0 - 4.1-10.1 HB3 MET 42 - HE3 LYS 43 far 0 91 0 - 4.2-8.1 HB2 LYS 39 - HE3 LYS 40 far 0 89 0 - 4.5-9.8 HB3 LYS 39 - HE2 LYS 43 far 0 72 0 - 4.8-8.7 HB2 LEU 70 - HE2 LYS 73 far 0 62 0 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 73 far 0 86 0 - 5.0-9.6 HB3 MET 42 - HE2 LYS 43 far 0 70 0 - 5.2-8.4 HB2 GLU 41 - HE3 LYS 40 far 0 98 0 - 5.9-9.4 HB3 MET 42 - HE3 LYS 39 far 0 65 0 - 5.9-8.6 HB3 LYS 40 - HE2 LYS 39 far 0 78 0 - 6.0-10.1 HB3 MET 42 - HE2 LYS 40 far 0 99 0 - 6.3-10.4 HB3 MET 42 - HE2 LYS 39 far 0 75 0 - 6.4-8.6 HB3 MET 42 - HE3 LYS 40 far 0 98 0 - 6.8-11.2 HB3 LYS 40 - HE3 LYS 39 far 0 68 0 - 7.0-10.2 HB2 GLU 41 - HE2 LYS 40 far 0 99 0 - 7.0-9.3 HB3 LYS 40 - HE2 LYS 43 far 0 73 0 - 7.1-9.9 HB3 MET 42 - HE2 LYS 73 far 0 60 0 - 7.1-12.6 HB3 GLU 41 - HE3 LYS 40 far 0 99 0 - 7.1-10.1 HB3 LYS 40 - HE3 LYS 43 far 0 93 0 - 7.2-8.9 HB2 LEU 70 - HE3 LYS 43 far 0 92 0 - 7.3-11.9 HB3 MET 42 - HE3 LYS 73 far 0 84 0 - 7.4-13.4 HB3 GLU 41 - HE2 LYS 40 far 0 99 0 - 7.4-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 67 0 - 7.9-11.2 HB VAL 29 - HE2 LYS 20 far 0 93 0 - 8.0-11.8 HB VAL 29 - HE3 LYS 20 far 0 93 0 - 8.3-12.9 HB2 GLU 41 - HE3 LYS 43 far 0 91 0 - 8.5-11.0 HB2 LEU 70 - HE2 LYS 43 far 0 72 0 - 8.6-12.2 HB2 GLU 41 - HE3 LYS 39 far 0 65 0 - 8.6-11.5 HB2 GLU 41 - HE2 LYS 39 far 0 75 0 - 8.7-11.1 HB3 GLU 41 - HE3 LYS 43 far 0 92 0 - 9.0-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 77 0 - 9.0-11.7 HB2 GLU 41 - HE2 LYS 43 far 0 70 0 - 9.1-11.8 HB2 LYS 39 - HE2 LYS 73 far 0 50 0 - 9.1-14.1 HB3 GLU 41 - HE2 LYS 43 far 0 71 0 - 9.6-12.0 HB2 LYS 39 - HE3 LYS 73 far 0 72 0 - 9.7-14.5 HB2 LYS 65 - HE2 LYS 39 far 0 64 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (1.38, 2.97, 41.78 ppm; 3.53 A increased from 2.97 A): 4 out of 20 assignments used, quality = 0.99: * HG2 LYS 40 + HE2 LYS 40 OK 80 100 80 100 2.1-4.2 3.9=72, 1.8/3723=61...(48) HG2 LYS 40 + HE3 LYS 40 OK 80 100 80 100 2.1-4.2 3.9=72, 1.8/3733=50...(53) HG3 LYS 43 + HE3 LYS 43 OK 76 84 90 100 2.2-3.8 3.9=73, 1.8/3849=31...(94) HG3 LYS 43 + HE2 LYS 43 OK 38 64 60 100 2.3-4.0 3.9=73, 1.8/3849=30...(92) HG3 LYS 43 - HE2 LYS 40 far 14 94 15 - 3.1-9.3 HG3 LYS 43 - HE3 LYS 40 far 5 93 5 - 2.7-10.4 HG3 LYS 43 - HE3 LYS 39 far 0 59 0 - 3.7-8.5 HG2 LYS 40 - HE2 LYS 39 far 0 78 0 - 4.0-9.4 HG3 LYS 43 - HE2 LYS 39 far 0 69 0 - 4.4-9.4 HG2 LYS 40 - HE3 LYS 39 far 0 68 0 - 5.0-10.2 HG3 LYS 16 - HE2 LYS 20 far 0 66 0 - 5.4-10.3 HG3 LYS 16 - HE3 LYS 20 far 0 66 0 - 5.5-10.2 HG2 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.3-9.5 HG2 LYS 40 - HE2 LYS 43 far 0 73 0 - 6.6-11.0 HB3 LEU 114 - HE3 LYS 20 far 0 62 0 - 8.2-12.0 HB3 LEU 68 - HE2 LYS 73 far 0 62 0 - 8.7-13.5 HB3 LEU 68 - HE3 LYS 73 far 0 86 0 - 8.8-12.5 HG3 LYS 43 - HE2 LYS 73 far 0 54 0 - 9.2-15.5 HB3 LEU 114 - HE2 LYS 20 far 0 62 0 - 9.3-11.9 HG3 LYS 43 - HE3 LYS 73 far 0 77 0 - 9.8-16.2 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 = 0.71: * HG3 LYS 40 + HE2 LYS 40 OK 59 100 60 99 2.3-4.0 3694/3.0=44, 3.9=34...(49) HG3 LYS 40 + HE3 LYS 40 OK 30 100 30 99 2.2-4.2 3694/3.0=44, 3.9=34...(54) HG3 LYS 40 - HE2 LYS 39 far 0 78 0 - 3.4-9.1 HG3 LYS 40 - HE3 LYS 39 far 0 68 0 - 4.9-9.8 HG2 LYS 16 - HE3 LYS 20 far 0 94 0 - 5.1-11.0 HG3 LYS 40 - HE3 LYS 43 far 0 93 0 - 5.3-8.5 HG3 LYS 40 - HE2 LYS 43 far 0 73 0 - 5.5-9.9 HG2 LYS 16 - HE2 LYS 20 far 0 94 0 - 5.7-11.3 HG LEU 63 - HE2 LYS 39 far 0 78 0 - 8.2-12.7 HG LEU 63 - HE3 LYS 39 far 0 68 0 - 9.5-13.0 Violated in 12 structures by 0.09 A. Peak 3724 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.55 A increased from 2.40 A): 16 out of 59 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 71 96 80 93 2.3-3.0 3.0=63, 3.0/3080=12...(39) HD3 LYS 20 + HE2 LYS 20 OK 68 97 75 94 2.3-3.0 3.0=63, 3069/3.9=15...(45) HD2 LYS 40 + HE3 LYS 40 OK 65 100 70 93 2.3-3.0 3.0=63, 2.9/3733=21...(28) HD3 LYS 43 + HE2 LYS 43 OK 60 73 90 92 2.3-3.0 3.0=63, 2.9/3849=11...(40) HD2 LYS 43 + HE3 LYS 43 OK 55 92 65 92 2.3-3.0 3.0=63, 2.9/3849=12...(37) HD2 LYS 73 + HE3 LYS 73 OK 47 86 60 91 2.3-3.0 2.9=67, 3.0/5198=13...(28) * HD2 LYS 40 + HE2 LYS 40 OK 46 100 50 92 2.3-3.0 3.0=63, 2.9/3723=25...(27) HD3 LYS 20 + HE3 LYS 20 OK 40 97 45 93 2.4-3.0 3.0=63, 3069/3.9=15...(39) HD2 LYS 20 + HE2 LYS 20 OK 40 96 45 92 2.4-3.0 3.0=63, 3.0/3080=15...(45) HD3 LYS 43 + HE3 LYS 43 OK 38 93 45 90 2.5-3.0 3.0=63, 2.9/3849=12...(37) HD3 LYS 73 + HE3 LYS 73 OK 35 86 45 91 2.3-3.0 2.9=67, 5170/3.8=18...(27) HD2 LYS 73 + HE2 LYS 73 OK 34 62 60 92 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 40 + HE3 LYS 40 OK 32 100 35 93 2.3-3.0 3.0=63, 3694/3.9=24...(28) HD3 LYS 40 + HE2 LYS 40 OK 32 100 35 92 2.4-3.0 3.0=63, 3694/3723=27...(27) HD3 LYS 73 + HE2 LYS 73 OK 32 62 55 93 2.3-3.0 2.9=67, 5170/3.8=18...(30) HD2 LYS 43 + HE2 LYS 43 OK 30 72 45 92 2.5-3.0 3.0=63, 2.9/3849=11...(40) HG3 LYS 39 - HE2 LYS 39 poor 12 47 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 2 40 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 67 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 77 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 68 0 - 4.0-9.5 HD3 LYS 40 - HE3 LYS 39 far 0 68 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 68 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 70 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 100 0 - 4.6-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 78 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 78 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 97 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 100 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 97 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 78 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 60 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 100 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 99 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 93 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 61 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 94 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 69 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 73 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 94 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 70 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 61 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 44 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 73 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 48 0 - 6.6-10.4 HD2 LYS 44 - HE3 LYS 43 far 0 52 0 - 6.9-11.4 HD2 LYS 44 - HE2 LYS 43 far 0 38 0 - 7.1-11.5 HD2 LYS 43 - HE2 LYS 73 far 0 62 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 62 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 86 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 73 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 86 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 99 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 99 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 92 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 72 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 76 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3725 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.55 A increased from 2.40 A): 16 out of 55 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 70 94 80 93 2.3-3.0 3.0=63, 3.0/3081=12...(39) HD3 LYS 20 + HE2 LYS 20 OK 67 96 75 94 2.3-3.0 3.0=63, 3069/3.9=15...(45) HD2 LYS 40 + HE3 LYS 40 OK 65 100 70 93 2.3-3.0 3.0=63, 2.9/3733=21...(28) HD3 LYS 43 + HE2 LYS 43 OK 60 72 90 92 2.3-3.0 3.0=63, 2.9/3849=11...(40) HD2 LYS 43 + HE3 LYS 43 OK 55 93 65 92 2.3-3.0 3.0=63, 2.9/3849=12...(37) HD2 LYS 73 + HE3 LYS 73 OK 46 85 60 91 2.3-3.0 2.9=67, 3.0/5198=13...(28) HD2 LYS 40 + HE2 LYS 40 OK 46 100 50 92 2.3-3.0 3.0=63, 2.9/3723=25...(27) HD3 LYS 20 + HE3 LYS 20 OK 40 96 45 93 2.4-3.0 3.0=63, 3069/3.9=15...(39) HD2 LYS 20 + HE2 LYS 20 OK 39 94 45 92 2.4-3.0 3.0=63, 3.0/3080=15...(45) HD3 LYS 43 + HE3 LYS 43 OK 37 92 45 90 2.5-3.0 3.0=63, 2.9/3849=12...(37) HD3 LYS 73 + HE3 LYS 73 OK 35 86 45 91 2.3-3.0 2.9=67, 5170/3.8=18...(27) HD2 LYS 73 + HE2 LYS 73 OK 34 61 60 92 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 40 + HE3 LYS 40 OK 32 100 35 93 2.3-3.0 3.0=63, 3695/3.9=24...(28) * HD3 LYS 40 + HE2 LYS 40 OK 32 100 35 92 2.4-3.0 3.0=63, 3695/3723=27...(27) HD3 LYS 73 + HE2 LYS 73 OK 32 62 55 93 2.3-3.0 2.9=67, 5170/3.8=18...(30) HD2 LYS 43 + HE2 LYS 43 OK 30 73 45 92 2.5-3.0 3.0=63, 2.9/3849=11...(40) HG3 LYS 39 - HE2 LYS 39 poor 11 44 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 2 37 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 68 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 78 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 67 0 - 4.0-9.5 HD3 LYS 40 - HE3 LYS 39 far 0 68 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 68 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 65 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 99 0 - 4.6-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 78 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 77 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 97 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 100 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 97 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 78 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 56 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 100 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 100 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 93 0 - 5.9-10.5 HD3 LYS 16 - HE2 LYS 20 far 0 93 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 65 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 73 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 93 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 67 0 - 6.3-10.7 HG3 LYS 39 - HE2 LYS 43 far 0 41 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 73 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 93 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 46 0 - 6.6-10.4 HD2 LYS 43 - HE2 LYS 73 far 0 62 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 62 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 86 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 72 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 92 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 86 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 99 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 99 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 92 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 71 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 73 0 - 9.7-14.2 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; 4.56 A increased from 4.29 A): 2 out of 12 assignments used, quality = 0.98: HB2 LYS 40 + HE2 LYS 40 OK 90 100 90 100 2.5-5.0 3664/3.0=88, 5.0=77...(49) * HB2 LYS 40 + HE3 LYS 40 OK 80 100 80 100 3.6-4.8 3665/3.0=88, 5.0=77...(53) HB2 LYS 40 - HE2 LYS 39 far 0 68 0 - 5.4-8.6 HB2 LYS 40 - HE3 LYS 39 far 0 57 0 - 5.8-8.9 HB2 LYS 17 - HE3 LYS 20 far 0 99 0 - 6.4-9.8 HB3 GLU 21 - HE3 LYS 20 far 0 69 0 - 6.7-9.0 HB2 LYS 17 - HE2 LYS 20 far 0 99 0 - 6.9-9.1 HB2 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.9-9.1 HB3 GLU 21 - HE2 LYS 20 far 0 69 0 - 7.2-9.2 HB2 LYS 40 - HE2 LYS 43 far 0 63 0 - 7.5-9.9 HB VAL 22 - HE3 LYS 20 far 0 98 0 - 9.0-11.3 HB VAL 22 - HE2 LYS 20 far 0 98 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (1.95, 2.97, 41.78 ppm; 3.71 A): 6 out of 46 assignments used, quality = 0.96: HB3 LYS 40 + HE2 LYS 40 OK 50 100 50 100 2.0-4.3 3711/3.0=75, 2.7/3723=52...(48) HB3 LYS 39 + HE2 LYS 39 OK 47 67 70 100 2.2-4.6 ~3642=42, ~3632=42...(34) HB3 LYS 39 + HE3 LYS 39 OK 42 56 75 99 2.2-4.5 5.0=41, 2.9/3632=33...(39) HB2 LYS 39 + HE3 LYS 39 OK 40 46 90 98 2.0-4.1 5.0=41, 2.9/3632=33...(36) HB2 LYS 39 + HE2 LYS 39 OK 36 55 65 99 2.1-4.4 ~3642=42, ~3632=42...(32) * HB3 LYS 40 + HE3 LYS 40 OK 30 100 30 100 2.2-4.7 3711/3.0=75, 2.7/3733=44...(48) HB3 LYS 39 - HE2 LYS 40 far 10 99 10 - 3.3-9.5 HB2 LYS 39 - HE3 LYS 43 far 7 72 10 - 2.9-7.2 HB3 LYS 39 - HE3 LYS 43 far 4 86 5 - 3.8-8.7 HB2 LYS 39 - HE2 LYS 43 far 3 50 5 - 3.6-7.3 HB3 LYS 39 - HE3 LYS 40 far 0 100 0 - 4.0-9.0 HB2 LYS 39 - HE2 LYS 40 far 0 89 0 - 4.1-10.1 HB3 MET 42 - HE3 LYS 43 far 0 84 0 - 4.2-8.1 HB2 LYS 39 - HE3 LYS 40 far 0 90 0 - 4.5-9.8 HB3 LYS 39 - HE2 LYS 43 far 0 62 0 - 4.8-8.7 HB2 LEU 70 - HE3 LYS 73 far 0 77 0 - 5.0-9.6 HB3 MET 42 - HE2 LYS 43 far 0 60 0 - 5.2-8.4 HB2 GLU 41 - HE3 LYS 40 far 0 99 0 - 5.9-9.4 HB3 MET 42 - HE3 LYS 39 far 0 55 0 - 5.9-8.6 HB3 LYS 40 - HE2 LYS 39 far 0 68 0 - 6.0-10.1 HB3 MET 42 - HE2 LYS 40 far 0 98 0 - 6.3-10.4 HB3 MET 42 - HE2 LYS 39 far 0 65 0 - 6.4-8.6 HB VAL 104 - HE2 LYS 106 far 0 63 0 - 6.4-9.3 HB VAL 104 - HE3 LYS 106 far 0 68 0 - 6.5-9.5 HB3 MET 42 - HE3 LYS 40 far 0 99 0 - 6.8-11.2 HB3 LYS 40 - HE3 LYS 39 far 0 57 0 - 7.0-10.2 HB2 GLU 41 - HE2 LYS 40 far 0 98 0 - 7.0-9.3 HB3 LYS 40 - HE2 LYS 43 far 0 63 0 - 7.1-9.9 HB3 GLU 41 - HE3 LYS 40 far 0 99 0 - 7.1-10.1 HB3 LYS 40 - HE3 LYS 43 far 0 87 0 - 7.2-8.9 HB2 LEU 70 - HE3 LYS 43 far 0 86 0 - 7.3-11.9 HB3 MET 42 - HE3 LYS 73 far 0 75 0 - 7.4-13.4 HB3 GLU 41 - HE2 LYS 40 far 0 99 0 - 7.4-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 56 0 - 7.9-11.2 HB VAL 29 - HE2 LYS 20 far 0 95 0 - 8.0-11.8 HB VAL 29 - HE3 LYS 20 far 0 95 0 - 8.3-12.9 HB2 GLU 41 - HE3 LYS 43 far 0 84 0 - 8.5-11.0 HB2 LEU 70 - HE2 LYS 43 far 0 62 0 - 8.6-12.2 HB2 GLU 41 - HE3 LYS 39 far 0 55 0 - 8.6-11.5 HB2 GLU 41 - HE2 LYS 39 far 0 65 0 - 8.7-11.1 HB3 GLU 41 - HE3 LYS 43 far 0 85 0 - 9.0-11.5 HB2 LEU 70 - HE2 LYS 39 far 0 67 0 - 9.0-11.7 HB2 GLU 41 - HE2 LYS 43 far 0 60 0 - 9.1-11.8 HB3 GLU 41 - HE2 LYS 43 far 0 61 0 - 9.6-12.0 HB2 LYS 39 - HE3 LYS 73 far 0 64 0 - 9.7-14.5 HB2 LYS 65 - HE2 LYS 39 far 0 55 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (1.38, 2.97, 41.78 ppm; 3.61 A increased from 3.04 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 40 + HE3 LYS 40 OK 85 100 85 100 2.1-4.2 3.9=78, 1.8/3733=51...(53) HG2 LYS 40 + HE2 LYS 40 OK 85 100 85 100 2.1-4.2 3.9=78, 1.8/3723=61...(48) HG3 LYS 43 + HE3 LYS 43 OK 73 77 95 100 2.2-3.8 3.9=78, 1.8/3849=31...(94) HG3 LYS 43 + HE2 LYS 43 OK 33 54 60 100 2.3-4.0 3.9=78, 1.8/3849=30...(92) HG3 LYS 43 - HE2 LYS 40 far 14 93 15 - 3.1-9.3 HG3 LYS 43 - HE3 LYS 40 far 5 94 5 - 2.7-10.4 HG2 LYS 94 - HE3 LYS 106 far 3 57 5 - 3.6-7.4 HG3 LYS 43 - HE3 LYS 39 far 2 49 5 - 3.7-8.5 HG2 LYS 94 - HE2 LYS 106 far 0 52 0 - 3.9-7.7 HG2 LYS 40 - HE2 LYS 39 far 0 68 0 - 4.0-9.4 HG3 LYS 43 - HE2 LYS 39 far 0 59 0 - 4.4-9.4 HG2 LYS 40 - HE3 LYS 39 far 0 57 0 - 5.0-10.2 HG3 LYS 16 - HE2 LYS 20 far 0 69 0 - 5.4-10.3 HG3 LYS 16 - HE3 LYS 20 far 0 69 0 - 5.5-10.2 HG2 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.3-9.5 HG2 LYS 40 - HE2 LYS 43 far 0 63 0 - 6.6-11.0 HB3 LEU 114 - HE3 LYS 20 far 0 65 0 - 8.2-12.0 HB3 LEU 68 - HE3 LYS 73 far 0 78 0 - 8.8-12.5 HB3 LEU 114 - HE2 LYS 20 far 0 65 0 - 9.3-11.9 HG3 LYS 43 - HE3 LYS 73 far 0 69 0 - 9.8-16.2 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 14 assignments used, quality = 0.47: * HG3 LYS 40 + HE3 LYS 40 OK 30 100 30 99 2.2-4.2 3694/3.0=43, 3.9=33...(52) HG3 LYS 40 + HE2 LYS 40 OK 24 100 25 98 2.3-4.0 3694/3.0=43, 3.9=33...(49) HG LEU 90 - HE3 LYS 106 far 3 35 10 - 2.0-4.5 HG LEU 90 - HE2 LYS 106 far 0 31 0 - 2.8-4.9 HG3 LYS 40 - HE2 LYS 39 far 0 68 0 - 3.4-9.1 HG3 LYS 40 - HE3 LYS 39 far 0 57 0 - 4.9-9.8 HG2 LYS 16 - HE3 LYS 20 far 0 96 0 - 5.1-11.0 HG3 LYS 40 - HE3 LYS 43 far 0 87 0 - 5.3-8.5 HG3 LYS 40 - HE2 LYS 43 far 0 63 0 - 5.5-9.9 HG2 LYS 16 - HE2 LYS 20 far 0 96 0 - 5.7-11.3 HB2 LEU 82 - HE3 LYS 106 far 0 68 0 - 6.4-8.3 HB2 LEU 82 - HE2 LYS 106 far 0 63 0 - 6.5-7.5 HG LEU 63 - HE2 LYS 39 far 0 68 0 - 8.2-12.7 HG LEU 63 - HE3 LYS 39 far 0 57 0 - 9.5-13.0 Violated in 12 structures by 0.12 A. Peak 3734 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.55 A increased from 2.40 A): 14 out of 56 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 73 98 80 93 2.3-3.0 3.0=63, 3.0/3081=12...(39) HD3 LYS 20 + HE2 LYS 20 OK 69 98 75 94 2.3-3.0 3.0=63, 3069/3.9=15...(45) * HD2 LYS 40 + HE3 LYS 40 OK 65 100 70 93 2.3-3.0 3.0=63, 2.9/3733=21...(28) HD3 LYS 43 + HE2 LYS 43 OK 52 62 90 92 2.3-3.0 3.0=63, 2.9/3849=11...(40) HD2 LYS 43 + HE3 LYS 43 OK 51 86 65 91 2.3-3.0 3.0=63, 2.9/3849=11...(36) HD2 LYS 40 + HE2 LYS 40 OK 46 100 50 92 2.3-3.0 3.0=63, 2.9/3723=25...(27) HD2 LYS 73 + HE3 LYS 73 OK 42 77 60 90 2.3-3.0 2.9=67, 3.0/5162=12...(28) HD3 LYS 20 + HE3 LYS 20 OK 41 98 45 93 2.4-3.0 3.0=63, 3069/3.9=15...(39) HD2 LYS 20 + HE2 LYS 20 OK 41 98 45 92 2.4-3.0 3.0=63, 3.0/3080=15...(45) HD3 LYS 43 + HE3 LYS 43 OK 35 86 45 90 2.5-3.0 3.0=63, 2.9/3849=11...(37) HD3 LYS 40 + HE3 LYS 40 OK 32 100 35 93 2.3-3.0 3.0=63, 3694/3.9=24...(28) HD3 LYS 40 + HE2 LYS 40 OK 32 100 35 92 2.4-3.0 3.0=63, 3694/3723=27...(27) HD3 LYS 73 + HE3 LYS 73 OK 32 78 45 91 2.3-3.0 2.9=67, 5170/3.8=18...(27) HD2 LYS 43 + HE2 LYS 43 OK 25 62 45 91 2.5-3.0 3.0=63, 2.9/3849=11...(39) HG3 LYS 39 - HE2 LYS 39 poor 10 40 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 2 33 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 56 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 67 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 57 0 - 4.0-9.5 HD3 LYS 40 - HE3 LYS 39 far 0 57 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 57 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 69 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 100 0 - 4.6-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 68 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 68 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 99 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 99 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 99 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 68 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 54 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 100 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 100 0 - 5.5-10.6 HG3 ARG 95 - HE3 LYS 106 far 0 64 0 - 5.6-10.9 HD2 LYS 40 - HE3 LYS 43 far 0 87 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 61 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 96 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 70 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 63 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 96 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 62 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 61 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 36 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 63 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.6-10.3 HD2 LYS 44 - HE3 LYS 43 far 0 47 0 - 6.9-11.4 HD2 LYS 44 - HE2 LYS 43 far 0 31 0 - 7.1-11.5 HG3 ARG 95 - HE2 LYS 106 far 0 59 0 - 7.3-11.8 HD3 LYS 43 - HE3 LYS 73 far 0 78 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 62 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 86 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 77 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 100 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 100 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 86 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 62 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 70 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3735 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.55 A increased from 2.40 A): 14 out of 52 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 72 96 80 93 2.3-3.0 3.0=63, 3.0/3081=12...(39) HD3 LYS 20 + HE2 LYS 20 OK 68 98 75 94 2.3-3.0 3.0=63, 3069/3.9=15...(45) HD2 LYS 40 + HE3 LYS 40 OK 65 100 70 93 2.3-3.0 3.0=63, 2.9/3733=21...(28) HD2 LYS 43 + HE3 LYS 43 OK 51 86 65 91 2.3-3.0 3.0=63, 2.9/3849=11...(36) HD3 LYS 43 + HE2 LYS 43 OK 51 62 90 92 2.3-3.0 3.0=63, 2.9/3849=11...(40) HD2 LYS 40 + HE2 LYS 40 OK 46 100 50 92 2.3-3.0 3.0=63, 2.9/3723=25...(27) HD2 LYS 73 + HE3 LYS 73 OK 41 76 60 90 2.3-3.0 2.9=67, 3.0/5162=12...(28) HD3 LYS 20 + HE3 LYS 20 OK 41 98 45 93 2.4-3.0 3.0=63, 3069/3.9=15...(39) HD2 LYS 20 + HE2 LYS 20 OK 40 96 45 92 2.4-3.0 3.0=63, 3.0/3081=15...(45) HD3 LYS 43 + HE3 LYS 43 OK 35 86 45 90 2.5-3.0 3.0=63, 2.9/3849=11...(37) * HD3 LYS 40 + HE3 LYS 40 OK 32 100 35 93 2.3-3.0 3.0=63, 3695/3.9=24...(28) HD3 LYS 40 + HE2 LYS 40 OK 32 100 35 92 2.4-3.0 3.0=63, 3695/3723=27...(27) HD3 LYS 73 + HE3 LYS 73 OK 32 77 45 91 2.3-3.0 2.9=67, 5170/3.8=18...(27) HD2 LYS 43 + HE2 LYS 43 OK 26 62 45 91 2.5-3.0 3.0=63, 2.9/3849=11...(39) HG3 LYS 39 - HE2 LYS 39 poor 9 37 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 2 31 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 57 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 68 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 56 0 - 4.0-9.5 HD3 LYS 40 - HE3 LYS 39 far 0 57 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 57 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 65 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 100 0 - 4.6-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 68 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 67 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 98 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 100 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 98 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 68 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 50 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 99 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 100 0 - 5.5-10.6 HG3 ARG 95 - HE3 LYS 106 far 0 65 0 - 5.6-10.9 HD2 LYS 40 - HE3 LYS 43 far 0 87 0 - 5.9-10.5 HD3 LYS 16 - HE2 LYS 20 far 0 95 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 65 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 63 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 95 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 59 0 - 6.3-10.7 HG3 LYS 39 - HE2 LYS 43 far 0 34 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 63 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 87 0 - 6.6-10.3 HG3 ARG 95 - HE2 LYS 106 far 0 60 0 - 7.3-11.8 HD3 LYS 43 - HE3 LYS 73 far 0 77 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 62 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 86 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 78 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 100 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 100 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 85 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 61 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 67 0 - 9.7-14.2 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 2.8-2.9 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): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 41 + HA GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 41 + HA GLU 41 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LYS 40 - HA GLU 41 far 0 99 0 - 3.9-5.5 HB3 MET 42 - HA GLU 41 far 0 100 0 - 5.6-5.9 HB3 LYS 39 - HA GLU 41 far 0 100 0 - 7.3-8.3 HB2 LYS 39 - HA GLU 41 far 0 73 0 - 7.7-8.3 HB2 LEU 70 - HA GLU 41 far 0 96 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (1.95, 4.26, 58.07 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 41 + HA GLU 41 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 GLU 41 + HA GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 40 - HA GLU 41 far 0 99 0 - 3.9-5.5 HB3 MET 42 - HA GLU 41 far 0 100 0 - 5.6-5.9 HB3 LYS 39 - HA GLU 41 far 0 100 0 - 7.3-8.3 HB2 LYS 39 - HA GLU 41 far 0 77 0 - 7.7-8.3 HB2 LEU 70 - HA GLU 41 far 0 97 0 - 9.6-10.4 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 2.8-4.2 4.2=100 HB2 LEU 38 - HA GLU 41 far 0 61 0 - 8.2-8.5 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 4 assignments used, quality = 1.00: * HG3 GLU 41 + HA GLU 41 OK 100 100 100 100 2.4-3.7 4.2=100 HG2 GLU 37 - HA GLU 41 far 0 70 0 - 6.8-8.2 HB3 ASP 31 - HA GLU 41 far 0 94 0 - 9.9-11.7 HB2 ASP 31 - HA GLU 41 far 0 96 0 - 9.9-11.6 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 2.2-2.5 4.0=100 H GLU 41 + HB3 GLU 41 OK 100 100 100 100 3.5-3.6 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 2.5-3.0 3.0=100 HA GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.3-2.6 3.0=100 HA VAL 32 - HB2 GLU 41 far 0 77 0 - 5.7-6.7 HA VAL 32 - HB3 GLU 41 far 0 77 0 - 6.8-7.5 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): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 38 - HB2 GLU 41 far 0 61 0 - 5.6-7.0 HB2 LEU 38 - HB3 GLU 41 far 0 61 0 - 7.3-8.1 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 2.4-3.0 3.0=100 HG3 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 37 - HB2 GLU 41 far 0 70 0 - 5.2-7.7 HG2 GLU 37 - HB3 GLU 41 far 0 69 0 - 6.9-8.7 HB2 ASP 31 - HB2 GLU 41 far 0 96 0 - 7.8-9.9 HB3 ASP 31 - HB2 GLU 41 far 0 94 0 - 8.2-10.3 HB2 ASP 31 - HB3 GLU 41 far 0 95 0 - 8.3-10.2 HB3 ASP 31 - HB3 GLU 41 far 0 94 0 - 8.6-10.3 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 3.5-3.6 4.0=100 H GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.2-2.5 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 2.3-2.6 3.0=100 HA GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 32 - HB2 GLU 41 far 0 77 0 - 5.7-6.7 HA VAL 32 - HB3 GLU 41 far 0 77 0 - 6.8-7.5 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): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 41 + HB3 GLU 41 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 LEU 38 - HB2 GLU 41 far 0 61 0 - 5.6-7.0 HB2 LEU 38 - HB3 GLU 41 far 0 61 0 - 7.3-8.1 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 2.4-3.0 3.0=100 HG3 GLU 41 + HB2 GLU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 37 - HB2 GLU 41 far 0 69 0 - 5.2-7.7 HG2 GLU 37 - HB3 GLU 41 far 0 70 0 - 6.9-8.7 HB2 ASP 31 - HB2 GLU 41 far 0 95 0 - 7.8-9.9 HB3 ASP 31 - HB2 GLU 41 far 0 94 0 - 8.2-10.3 HB2 ASP 31 - HB3 GLU 41 far 0 96 0 - 8.3-10.2 HB3 ASP 31 - HB3 GLU 41 far 0 94 0 - 8.6-10.3 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 2.3-3.7 1263=100, 1262/3.0=92...(6) Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (4.26, 2.13, 34.90 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.8-4.2 4.2=100 HA VAL 32 - HG2 GLU 41 far 0 77 0 - 5.0-6.3 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 7 assignments used, quality = 1.00: * HB2 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 40 - HG2 GLU 41 far 0 99 0 - 4.0-6.5 HB3 MET 42 - HG2 GLU 41 far 0 100 0 - 4.1-7.3 HB3 LYS 39 - HG2 GLU 41 far 0 100 0 - 6.2-8.5 HB2 LYS 39 - HG2 GLU 41 far 0 73 0 - 6.6-9.0 HB2 LEU 70 - HG2 GLU 41 far 0 96 0 - 7.8-10.9 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 7 assignments used, quality = 1.00: * HB3 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 41 + HG2 GLU 41 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 LYS 40 - HG2 GLU 41 far 0 99 0 - 4.0-6.5 HB3 MET 42 - HG2 GLU 41 far 0 100 0 - 4.1-7.3 HB3 LYS 39 - HG2 GLU 41 far 0 100 0 - 6.2-8.5 HB2 LYS 39 - HG2 GLU 41 far 0 77 0 - 6.6-9.0 HB2 LEU 70 - HG2 GLU 41 far 0 97 0 - 7.8-10.9 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 0 70 0 - 4.8-7.2 HB3 ASP 31 - HG2 GLU 41 far 0 94 0 - 7.7-10.2 HB2 ASP 31 - HG2 GLU 41 far 0 96 0 - 7.7-9.8 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 2.5-3.8 1264=100, 1263/1.8=97...(6) 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 2.4-3.7 4.2=100 HA VAL 32 + HG3 GLU 41 OK 22 77 30 96 4.6-7.6 ~9399=59, ~9302=58...(6) 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 8 assignments used, quality = 1.00: * HB2 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 MET 42 - HG3 GLU 41 far 15 100 15 - 3.5-7.5 HB3 LYS 40 - HG3 GLU 41 far 0 99 0 - 4.1-7.3 HB3 LYS 39 - HG3 GLU 41 far 0 100 0 - 6.2-8.9 HB2 LYS 39 - HG3 GLU 41 far 0 73 0 - 6.5-9.5 HB2 LEU 70 - HG3 GLU 41 far 0 96 0 - 7.2-10.7 HB VAL 29 - HG3 GLU 41 far 0 100 0 - 9.7-13.1 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 8 assignments used, quality = 1.00: * HB3 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 41 + HG3 GLU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 MET 42 - HG3 GLU 41 far 15 100 15 - 3.5-7.5 HB3 LYS 40 - HG3 GLU 41 far 0 99 0 - 4.1-7.3 HB3 LYS 39 - HG3 GLU 41 far 0 100 0 - 6.2-8.9 HB2 LYS 39 - HG3 GLU 41 far 0 77 0 - 6.5-9.5 HB2 LEU 70 - HG3 GLU 41 far 0 97 0 - 7.2-10.7 HB VAL 29 - HG3 GLU 41 far 0 99 0 - 9.7-13.1 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 far 0 61 0 - 5.3-7.3 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 1 assignment used, quality = 1.00: * H MET 42 + HA MET 42 OK 100 100 100 100 2.8-2.9 3.0=100 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 2.4-2.7 3.0=100 HB2 MET 67 - HA MET 42 far 0 87 0 - 7.4-8.3 HG2 GLU 48 - HA MET 42 far 0 90 0 - 7.9-12.6 HG3 GLN 28 - HA MET 42 far 0 90 0 - 9.9-13.1 HB3 GLU 37 - HA MET 42 far 0 73 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (1.95, 4.38, 57.05 ppm; 4.15 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 42 + HA MET 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 GLU 41 + HA MET 42 OK 37 100 45 81 4.1-4.9 ~242=25, ~7493=20...(11) HB2 GLU 41 - HA MET 42 far 5 100 5 - 4.2-5.6 HB2 LEU 70 - HA MET 42 far 0 96 0 - 5.6-6.1 HB2 LYS 39 - HA MET 42 far 0 73 0 - 7.0-7.5 HB3 LYS 40 - HA MET 42 far 0 99 0 - 7.6-8.4 HB3 LYS 39 - HA MET 42 far 0 100 0 - 7.7-8.1 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 2.4-3.6 3.9=100 HB2 TYR 76 - HA MET 42 far 0 96 0 - 8.3-9.0 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 2.4-3.7 3.9=100 HE2 LYS 2 - HA MET 42 far 0 100 0 - 6.0-8.2 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 2.9-3.6 3804=100, 9431/9435=44...(8) HG LEU 45 + HA MET 42 OK 73 73 100 99 2.0-2.3 2.1/9435=55, 3.0/8078=54...(12) QE MET 67 - HA MET 42 far 0 81 0 - 5.2-6.9 HG LEU 70 - HA MET 42 far 0 65 0 - 7.4-7.8 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 1 assignment used, quality = 1.00: * H MET 42 + HB2 MET 42 OK 100 100 100 100 3.5-3.6 3.9=100 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 2.4-2.7 3.0=100 HA SER 72 - HB2 MET 42 far 0 65 0 - 10.0-11.4 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): 1 out of 7 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 far 10 96 10 - 3.6-4.9 HB2 LYS 39 - HB2 MET 42 far 0 73 0 - 5.3-6.2 HB2 GLU 41 - HB2 MET 42 far 0 100 0 - 5.7-7.3 HB3 GLU 41 - HB2 MET 42 far 0 100 0 - 6.0-7.0 HB3 LYS 39 - HB2 MET 42 far 0 100 0 - 6.3-7.2 HB3 LYS 40 - HB2 MET 42 far 0 99 0 - 8.2-8.9 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 2.6-3.0 3.0=100 HB2 TYR 76 - HB2 MET 42 far 0 96 0 - 8.4-9.8 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 - 7.0-10.1 Violated in 0 structures by 0.00 A. Peak 3781 from cnoeabs.peaks (1.87, 2.19, 31.25 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * QE MET 42 + HB2 MET 42 OK 100 100 100 100 2.6-4.1 4.2=100 HG LEU 45 + HB2 MET 42 OK 72 73 100 98 4.0-4.5 2.1/9418=47, ~9435=41...(11) HG LEU 70 - HB2 MET 42 far 0 65 0 - 5.2-5.9 QE MET 67 - HB2 MET 42 far 0 81 0 - 5.4-7.2 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 2.2-2.6 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 1 assignment used, quality = 1.00: * HA MET 42 + HB3 MET 42 OK 100 100 100 100 3.0-3.0 3.0=100 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 5 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 far 0 87 0 - 6.7-8.1 HB2 GLU 69 - HB3 MET 42 far 0 92 0 - 8.4-10.0 HG3 GLU 66 - HB3 MET 42 far 0 99 0 - 8.5-9.3 HB3 GLU 37 - HB3 MET 42 far 0 73 0 - 8.6-9.9 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 2.3-2.6 3.0=100 HB3 ASP 36 - HB3 MET 42 far 0 98 0 - 9.6-10.6 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 2.3-2.7 3.0=100 HE2 LYS 2 - HB3 MET 42 far 0 100 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (1.87, 1.95, 31.25 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * QE MET 42 + HB3 MET 42 OK 100 100 100 100 3.8-4.2 4.2=100 HG LEU 45 - HB3 MET 42 far 0 73 0 - 4.7-5.1 QE MET 67 - HB3 MET 42 far 0 81 0 - 5.1-7.0 HG LEU 70 - HB3 MET 42 far 0 65 0 - 5.3-6.1 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 1 assignment used, quality = 1.00: * H MET 42 + HG2 MET 42 OK 100 100 100 100 2.2-3.6 1269=100, 1270/1.8=94...(14) 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 1 assignment used, quality = 1.00: * HA MET 42 + HG2 MET 42 OK 100 100 100 100 2.4-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (2.19, 2.66, 32.47 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 42 + HG2 MET 42 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 MET 67 - HG2 MET 42 far 0 87 0 - 4.8-6.0 HB2 GLU 69 - HG2 MET 42 far 0 92 0 - 7.6-9.5 HG3 GLU 66 - HG2 MET 42 far 0 99 0 - 7.8-9.4 HB3 GLU 37 - HG2 MET 42 far 0 73 0 - 8.0-9.3 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 7 assignments used, quality = 1.00: * HB3 MET 42 + HG2 MET 42 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 LEU 70 + HG2 MET 42 OK 76 96 80 99 3.7-5.0 3.1/11368=77, ~11369=50...(14) HB2 GLU 41 + HG2 MET 42 OK 39 100 65 60 3.6-6.7 4.7/1269=56, 3806/3.3=5, ~3806=5 HB3 GLU 41 + HG2 MET 42 OK 27 100 40 67 4.3-6.5 4.7/1269=56, 3771/3.9=16...(4) HB2 LYS 39 - HG2 MET 42 far 0 73 0 - 4.7-6.9 HB3 LYS 39 - HG2 MET 42 far 0 100 0 - 5.3-7.4 HB3 LYS 40 - HG2 MET 42 far 0 99 0 - 7.3-8.7 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 - 8.0-11.1 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 2.0-3.3 3.3=100 QE MET 67 + HG2 MET 42 OK 41 81 75 68 3.1-5.1 9723/10992=37, ~9427=28...(5) HG LEU 45 + HG2 MET 42 OK 36 73 55 89 4.3-5.6 ~9431=46, ~9418=32...(7) HG LEU 70 - HG2 MET 42 far 0 65 0 - 4.8-6.2 HB2 LEU 63 - HG2 MET 42 far 0 99 0 - 9.0-10.3 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 1 assignment used, quality = 1.00: * H MET 42 + HG3 MET 42 OK 100 100 100 100 2.9-3.9 1270=100, 1269/1.8=99...(11) 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 2.4-3.7 3.9=100 HA SER 72 - HG3 MET 42 far 0 65 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3798 from cnoeabs.peaks (2.19, 2.76, 32.47 ppm; 4.47 A): 1 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 far 0 87 0 - 4.6-5.8 HB2 GLU 69 - HG3 MET 42 far 0 92 0 - 7.0-9.1 HG3 GLU 66 - HG3 MET 42 far 0 99 0 - 7.6-9.4 HB3 GLU 37 - HG3 MET 42 far 0 73 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (1.95, 2.76, 32.47 ppm; 4.26 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 42 + HG3 MET 42 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LEU 70 + HG3 MET 42 OK 90 96 95 99 2.6-4.7 3.1/11369=57, ~11368=45...(15) HB3 GLU 41 - HG3 MET 42 far 0 100 0 - 5.0-6.8 HB2 GLU 41 - HG3 MET 42 far 0 100 0 - 5.2-7.0 HB2 LYS 39 - HG3 MET 42 far 0 73 0 - 5.5-6.8 HB3 LYS 39 - HG3 MET 42 far 0 100 0 - 5.9-7.3 HB3 LYS 40 - HG3 MET 42 far 0 99 0 - 8.2-9.3 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 - 8.7-10.0 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): 2 out of 5 assignments used, quality = 1.00: * QE MET 42 + HG3 MET 42 OK 100 100 100 100 2.1-3.1 3.3=100 HG LEU 70 + HG3 MET 42 OK 39 65 60 100 4.2-6.3 2.1/11369=73, ~11368=63...(17) QE MET 67 - HG3 MET 42 poor 14 81 25 70 3.6-5.4 9723/10993=38, ~9427=26...(5) HG LEU 45 - HG3 MET 42 far 4 73 5 - 4.3-5.8 HB2 LEU 63 - HG3 MET 42 far 0 99 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (8.78, 1.87, 17.86 ppm; 4.86 A increased from 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H MET 42 + QE MET 42 OK 100 100 100 100 3.9-4.9 3.0/3804=88, 1269/3.3=83...(11) H ILE 5 - QE MET 42 far 0 81 0 - 6.7-7.4 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 3 assignments used, quality = 0.94: * HA MET 42 + QE MET 42 OK 94 100 100 94 2.9-3.6 3774=49, 3.0/3805=38...(8) HA SER 72 - QE MET 42 far 0 65 0 - 6.8-7.8 HA GLU 48 - QE MET 42 far 0 92 0 - 9.8-11.8 Violated in 1 structures by 0.00 A. Peak 3805 from cnoeabs.peaks (2.19, 1.87, 17.86 ppm; 4.14 A increased from 3.90 A): 1 out of 9 assignments used, quality = 1.00: * HB2 MET 42 + QE MET 42 OK 100 100 100 100 2.6-4.1 4.2=94, 3.0/3804=70...(6) HB2 MET 67 - QE MET 42 poor 19 87 25 89 4.0-4.6 3.0/9427=58, 3.0/9424=50...(6) HB2 GLU 69 - QE MET 42 far 0 92 0 - 6.3-7.4 HG3 GLU 66 - QE MET 42 far 0 99 0 - 8.1-8.7 HG3 GLN 28 - QE MET 42 far 0 90 0 - 8.4-11.5 HG2 GLU 48 - QE MET 42 far 0 90 0 - 8.6-12.6 HB3 GLU 37 - QE MET 42 far 0 73 0 - 8.7-10.0 HB3 MET 1 - QE MET 42 far 0 97 0 - 9.2-12.6 HB2 GLN 100 - QE MET 42 far 0 61 0 - 9.7-11.3 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 10 assignments used, quality = 1.00: * HB3 MET 42 + QE MET 42 OK 100 100 100 100 3.8-4.2 4.2=100 HB2 LEU 70 + QE MET 42 OK 96 96 100 100 2.4-3.4 3.1/9430=89...(14) HB3 GLU 41 + QE MET 42 OK 30 100 40 76 4.3-5.9 4.7/3803=53...(6) HB2 GLU 41 + QE MET 42 OK 23 100 35 65 4.2-6.3 4.7/3803=53, 3792/3.3=12...(4) HB2 LYS 39 - QE MET 42 far 0 73 0 - 6.9-7.9 HB3 LYS 39 - QE MET 42 far 0 100 0 - 7.7-8.5 HB3 LYS 40 - QE MET 42 far 0 99 0 - 8.6-9.4 HB2 LYS 65 - QE MET 42 far 0 73 0 - 8.9-9.6 HB3 LYS 65 - QE MET 42 far 0 70 0 - 9.3-9.9 HB3 GLU 52 - QE MET 42 far 0 100 0 - 9.3-11.3 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 2 assignments used, quality = 1.00: * HG2 MET 42 + QE MET 42 OK 100 100 100 100 2.0-3.3 3.3=100 HB2 TYR 76 - QE MET 42 far 0 96 0 - 5.1-5.9 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 2.1-3.1 3.3=100 HE2 LYS 2 - QE MET 42 far 0 100 0 - 4.8-7.8 HB3 TYR 102 - QE MET 42 far 0 92 0 - 8.6-9.5 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 2.8-2.8 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): 1 out of 10 assignments used, quality = 0.98: HB3 LYS 43 + HA LYS 43 OK 98 98 100 100 2.4-2.7 3821=100, 3.0/3814=41...(19) ! HB2 LYS 43 - HA LYS 43 poor 20 100 20 100 3.0-3.0 3.0=90, 1.8/3821=73...(18) HB2 ARG 95 - HA GLU 91 far 0 26 0 - 4.0-5.9 HB2 LEU 45 - HA LYS 43 far 0 100 0 - 4.8-5.1 HB2 LYS 44 - HA LYS 43 far 0 99 0 - 5.6-5.8 HB3 LYS 44 - HA LYS 43 far 0 100 0 - 6.6-6.6 HB2 LYS 96 - HA GLU 91 far 0 30 0 - 7.2-9.4 HB2 LYS 49 - HA LYS 43 far 0 96 0 - 8.2-13.4 HB2 LYS 73 - HA LYS 43 far 0 87 0 - 8.6-11.8 HB3 LYS 73 - HA LYS 43 far 0 84 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3813 from cnoeabs.peaks (1.90, 4.09, 59.39 ppm; 2.91 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LYS 43 + HA LYS 43 OK 100 100 100 100 2.4-2.7 3821=97, 3.0/3814=41...(19) HB2 LYS 43 - HA LYS 43 poor 20 98 20 - 3.0-3.0 HB2 ARG 95 - HA GLU 91 far 0 31 0 - 4.0-5.9 HG LEU 45 - HA LYS 43 far 0 61 0 - 4.8-5.3 HB2 LEU 45 - HA LYS 43 far 0 100 0 - 4.8-5.1 HB2 LYS 44 - HA LYS 43 far 0 92 0 - 5.6-5.8 HB3 LYS 44 - HA LYS 43 far 0 99 0 - 6.6-6.6 HB2 LYS 96 - HA GLU 91 far 0 32 0 - 7.2-9.4 HB2 LYS 49 - HA LYS 43 far 0 100 0 - 8.2-13.4 HB2 LYS 73 - HA LYS 43 far 0 98 0 - 8.6-11.8 HB3 LYS 73 - HA LYS 43 far 0 97 0 - 9.6-11.6 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 = 1.00: * HG2 LYS 43 + HA LYS 43 OK 100 100 100 100 2.5-3.2 3841=64, 3.0/3821=60...(48) HG LEU 38 - HA LYS 43 far 0 96 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (1.37, 4.09, 59.39 ppm; 3.86 A increased from 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 43 + HA LYS 43 OK 100 100 100 100 2.2-3.8 3.9=94, 1.8/3814=90...(54) HG2 LYS 94 - HA GLU 91 poor 18 32 65 87 3.6-4.6 3.0/8194=35, 3.0/8196=30...(7) HG2 LYS 40 - HA LYS 43 far 0 94 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 3816 from cnoeabs.peaks (1.68, 4.09, 59.39 ppm; 3.83 A increased from 3.41 A): 2 out of 10 assignments used, quality = 0.97: HD3 LYS 43 + HA LYS 43 OK 94 99 95 100 2.1-4.3 2.9/3814=70, 3.8/3821=62...(64) * HD2 LYS 43 + HA LYS 43 OK 55 100 55 100 2.4-4.7 2.9/3814=70, 3.8/3821=62...(69) HG3 ARG 95 - HA GLU 91 far 0 31 0 - 4.0-6.3 HD2 LYS 96 - HA GLU 91 far 0 32 0 - 6.6-10.9 HD2 LYS 40 - HA LYS 43 far 0 100 0 - 6.7-10.0 HD3 LYS 73 - HA LYS 43 far 0 99 0 - 7.2-13.2 HD3 LYS 96 - HA GLU 91 far 0 31 0 - 7.6-10.7 HD3 LYS 40 - HA LYS 43 far 0 100 0 - 7.8-10.2 HD2 LYS 73 - HA LYS 43 far 0 98 0 - 8.8-13.4 HG12 ILE 71 - HA LYS 43 far 0 77 0 - 9.6-10.3 Violated in 1 structures by 0.01 A. Peak 3817 from cnoeabs.peaks (1.68, 4.09, 59.39 ppm; 3.83 A increased from 3.41 A): 2 out of 13 assignments used, quality = 0.98: * HD3 LYS 43 + HA LYS 43 OK 95 100 95 100 2.1-4.3 2.9/3814=70, 3.8/3821=62...(64) HD2 LYS 43 + HA LYS 43 OK 54 99 55 100 2.4-4.7 2.9/3814=70, 3.8/3821=62...(69) HG3 ARG 95 - HA GLU 91 far 0 28 0 - 4.0-6.3 HD3 LYS 44 - HA LYS 43 far 0 61 0 - 6.5-8.2 HD2 LYS 96 - HA GLU 91 far 0 31 0 - 6.6-10.9 HD2 LYS 44 - HA LYS 43 far 0 70 0 - 6.6-7.6 HD2 LYS 40 - HA LYS 43 far 0 100 0 - 6.7-10.0 HD3 LYS 73 - HA LYS 43 far 0 100 0 - 7.2-13.2 HG3 LYS 39 - HA LYS 43 far 0 77 0 - 7.4-9.5 HD3 LYS 96 - HA GLU 91 far 0 32 0 - 7.6-10.7 HD3 LYS 40 - HA LYS 43 far 0 100 0 - 7.8-10.2 HD2 LYS 73 - HA LYS 43 far 0 100 0 - 8.8-13.4 HG12 ILE 71 - HA LYS 43 far 0 92 0 - 9.6-10.3 Violated in 1 structures by 0.01 A. Peak 3820 from cnoeabs.peaks (7.50, 1.91, 31.96 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 43 + HB2 LYS 43 OK 100 100 100 100 2.2-2.6 1274=100, 1276/3.0=41...(19) H LYS 43 - HB3 LYS 43 far 0 96 0 - 3.5-3.6 H LYS 43 - HB2 LYS 44 far 0 94 0 - 4.6-5.0 H LYS 43 - HB3 LYS 44 far 0 97 0 - 6.1-6.3 H LYS 43 - HB2 LYS 73 far 0 57 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 3821 from cnoeabs.peaks (4.09, 1.91, 31.96 ppm; 2.68 A): 1 out of 8 assignments used, quality = 0.93: HA LYS 43 + HB3 LYS 43 OK 93 96 100 98 2.4-2.7 3813=77, 3814/3.0=35...(18) ! HA LYS 43 - HB2 LYS 43 far 0 100 0 - 3.0-3.0 HA LYS 43 - HB2 LYS 44 far 0 94 0 - 5.6-5.8 HA LYS 43 - HB3 LYS 44 far 0 97 0 - 6.6-6.6 HA GLU 91 - HB2 LYS 96 far 0 64 0 - 7.2-9.4 HA LYS 43 - HB2 LYS 73 far 0 57 0 - 8.6-11.8 HA LYS 43 - HB3 LYS 73 far 0 52 0 - 9.6-11.6 HA GLN 62 - HB2 LYS 96 far 0 57 0 - 9.7-11.6 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 13 assignments used, quality = 1.00: * HG2 LYS 43 + HB2 LYS 43 OK 100 100 100 100 2.3-3.0 3.0=97, 3814/3.0=41...(62) HG2 LYS 43 + HB3 LYS 43 OK 95 96 100 100 2.7-3.0 3.0=97, 3814/3821=45...(29) HG2 ARG 30 - HB2 LYS 44 far 0 64 0 - 6.1-8.7 HG2 LYS 43 - HB2 LYS 44 far 0 94 0 - 6.6-7.4 HG2 ARG 30 - HB3 LYS 44 far 0 67 0 - 7.2-9.5 HB3 ARG 30 - HB2 LYS 44 far 0 94 0 - 7.5-9.1 HG2 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.9-8.3 HB2 LYS 61 - HB2 LYS 96 far 0 88 0 - 8.0-9.7 HG LEU 38 - HB2 LYS 43 far 0 96 0 - 8.0-8.8 HB3 ARG 30 - HB3 LYS 44 far 0 97 0 - 8.6-10.2 HG2 LYS 43 - HB2 LYS 73 far 0 57 0 - 9.2-12.4 HG LEU 38 - HB3 LYS 43 far 0 89 0 - 9.5-10.2 HG LEU 38 - HB2 LYS 44 far 0 87 0 - 9.5-10.1 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 12 assignments used, quality = 1.00: * HG3 LYS 43 + HB2 LYS 43 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 43 + HB3 LYS 43 OK 96 96 100 100 2.5-3.0 3.0=100 HG2 LYS 40 - HB2 LYS 43 far 0 94 0 - 4.4-6.6 HG2 LYS 40 - HB3 LYS 43 far 0 87 0 - 5.4-8.2 HG3 LYS 43 - HB2 LYS 44 far 0 94 0 - 6.6-7.5 HG2 LYS 94 - HB2 LYS 96 far 0 90 0 - 6.8-9.5 HG2 LYS 40 - HB2 LYS 44 far 0 85 0 - 7.1-9.8 HG3 LYS 43 - HB3 LYS 44 far 0 97 0 - 7.7-8.3 HG2 LYS 40 - HB3 LYS 44 far 0 88 0 - 7.9-10.7 HB3 LEU 68 - HB2 LYS 96 far 0 76 0 - 8.6-11.5 HB3 LEU 68 - HB2 LYS 73 far 0 45 0 - 9.4-10.5 HG3 LYS 43 - HB2 LYS 73 far 0 57 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3826 from cnoeabs.peaks (1.68, 1.91, 31.96 ppm; 3.05 A increased from 2.57 A): 3 out of 31 assignments used, quality = 0.97: HD3 LYS 43 + HB3 LYS 43 OK 78 93 85 99 2.1-3.6 3.8=50, 2.9/3824=25...(48) HD2 LYS 43 + HB3 LYS 43 OK 71 96 75 99 2.1-3.5 3.8=50, 2.9/3824=25...(48) HD2 LYS 73 + HB3 LYS 73 OK 48 49 100 99 2.1-3.1 3.8=50, 5184/3.0=36...(46) HD3 LYS 73 - HB3 LYS 73 poor 15 50 30 - 2.6-3.8 ! HD2 LYS 43 - HB2 LYS 43 far 10 100 10 - 2.8-4.1 HD3 LYS 43 - HB2 LYS 43 far 10 99 10 - 2.8-4.2 HD3 LYS 73 - HB2 LYS 73 far 8 54 15 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 89 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 53 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 88 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 90 0 - 3.6-3.8 HD2 LYS 40 - HB2 LYS 43 far 0 100 0 - 4.2-7.2 HD3 LYS 40 - HB2 LYS 43 far 0 100 0 - 4.9-7.3 HD2 LYS 40 - HB3 LYS 43 far 0 95 0 - 5.2-8.8 HD3 LYS 40 - HB2 LYS 44 far 0 94 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 43 far 0 95 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 96 0 - 6.5-11.0 HD2 LYS 40 - HB2 LYS 44 far 0 93 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 93 0 - 6.6-8.8 HG12 ILE 71 - HB2 LYS 73 far 0 37 0 - 6.8-8.3 HB ILE 54 - HB3 LYS 44 far 0 96 0 - 7.2-9.2 HD2 LYS 43 - HB2 LYS 44 far 0 94 0 - 7.3-9.0 HD2 LYS 40 - HB3 LYS 44 far 0 96 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 91 0 - 7.6-9.0 HD2 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 94 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 34 0 - 8.5-9.2 HD3 LYS 43 - HB2 LYS 73 far 0 54 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 93 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 57 0 - 9.8-13.9 HG12 ILE 71 - HB2 LYS 44 far 0 68 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (1.68, 1.91, 31.96 ppm; 2.57 A): 4 out of 42 assignments used, quality = 0.93: HD2 LYS 44 + HB3 LYS 44 OK 61 63 100 96 2.1-2.6 3953=56, ~3954=16...(51) HD3 LYS 43 + HB3 LYS 43 OK 49 96 55 93 2.1-3.6 3.8=30, 2.9/3824=18...(48) HD2 LYS 43 + HB3 LYS 43 OK 48 93 55 93 2.1-3.5 3.8=30, 2.9/3824=18...(48) HD2 LYS 73 + HB3 LYS 73 OK 33 52 70 91 2.1-3.1 3.8=30, 5184/3.0=24...(31) HD3 LYS 73 - HB3 LYS 73 far 3 52 5 - 2.6-3.8 ! HD3 LYS 43 - HB2 LYS 43 far 0 100 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 56 0 - 2.8-3.7 HD2 LYS 43 - HB2 LYS 43 far 0 99 0 - 2.8-4.1 HD3 LYS 73 - HB2 LYS 73 far 0 57 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 83 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 56 0 - 3.3-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 60 0 - 3.4-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 90 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 89 0 - 3.6-3.8 HD3 LYS 44 - HB2 LYS 44 far 0 53 0 - 3.7-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 100 0 - 4.2-7.2 HD3 LYS 44 - HB2 LYS 43 far 0 61 0 - 4.6-7.8 HD3 LYS 40 - HB2 LYS 43 far 0 100 0 - 4.9-7.3 HD3 LYS 44 - HB3 LYS 43 far 0 55 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 70 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 95 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 62 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 77 0 - 5.4-8.4 HD3 LYS 40 - HB2 LYS 44 far 0 93 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 43 far 0 95 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 96 0 - 6.5-11.0 HD2 LYS 40 - HB2 LYS 44 far 0 94 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 94 0 - 6.6-8.8 HG3 LYS 39 - HB3 LYS 43 far 0 70 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 47 0 - 6.8-8.3 HB ILE 54 - HB3 LYS 44 far 0 96 0 - 7.2-9.2 HD2 LYS 43 - HB2 LYS 44 far 0 91 0 - 7.3-9.0 HD2 LYS 40 - HB3 LYS 44 far 0 96 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 94 0 - 7.6-9.0 HD2 LYS 43 - HB3 LYS 44 far 0 94 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 43 0 - 8.5-9.2 HG3 LYS 39 - HB2 LYS 44 far 0 68 0 - 9.3-11.4 HD3 LYS 43 - HB2 LYS 73 far 0 57 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 96 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 54 0 - 9.8-13.9 HG12 ILE 71 - HB2 LYS 44 far 0 83 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3828 from cnoeabs.peaks (2.98, 1.91, 31.96 ppm; 4.53 A increased from 3.81 A): 8 out of 32 assignments used, quality = 1.00: HE2 LYS 43 + HB3 LYS 43 OK 96 96 100 100 2.2-4.6 4.7=91, 3884/3.0=39...(37) HE3 LYS 43 + HB3 LYS 43 OK 93 93 100 100 2.0-4.6 4.7=91, 3884/3.0=38...(35) HE3 LYS 43 + HB2 LYS 43 OK 69 99 70 100 3.2-4.9 4.7=91, 3.9/3824=38...(78) HE3 LYS 73 + HB3 LYS 73 OK 51 51 100 100 2.1-4.6 5198/2.9=93, 4.9=79...(29) HE2 LYS 73 + HB3 LYS 73 OK 44 52 85 100 2.0-4.7 4.9=79, ~5198=64...(33) * HE2 LYS 43 + HB2 LYS 43 OK 40 100 40 100 3.4-5.5 4.7=91, 3884/3.0=39...(77) HE3 LYS 73 + HB2 LYS 73 OK 33 56 60 100 3.4-5.3 5198/2.9=93, 4.9=79...(68) HE2 LYS 73 + HB2 LYS 73 OK 25 56 45 100 3.5-5.5 4.9=79, ~5198=64...(72) HE2 LYS 40 - HB2 LYS 43 far 13 87 15 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 8 81 10 - 3.9-8.4 HE2 LYS 40 - HB3 LYS 43 far 4 79 5 - 4.6-9.0 HE3 LYS 40 - HB3 LYS 43 far 0 73 0 - 5.0-9.7 HE3 LYS 39 - HB2 LYS 43 far 0 100 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 100 0 - 5.8-10.6 HE3 LYS 39 - HB3 LYS 43 far 0 96 0 - 6.2-10.7 HE2 LYS 39 - HB3 LYS 43 far 0 96 0 - 6.6-11.7 HE2 LYS 40 - HB2 LYS 44 far 0 77 0 - 6.7-11.1 HE2 LYS 40 - HB3 LYS 44 far 0 80 0 - 7.1-11.7 HE3 LYS 40 - HB2 LYS 44 far 0 71 0 - 7.1-10.9 HE3 LYS 40 - HB3 LYS 44 far 0 74 0 - 7.5-11.6 HE2 LYS 43 - HB2 LYS 44 far 0 94 0 - 7.6-10.2 HE3 LYS 43 - HB2 LYS 73 far 0 54 0 - 7.7-13.4 HE3 LYS 43 - HB2 LYS 44 far 0 91 0 - 7.9-10.0 HE3 LYS 43 - HB3 LYS 44 far 0 94 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 57 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 50 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 95 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 52 0 - 9.0-13.7 HE2 LYS 73 - HB2 LYS 43 far 0 100 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 95 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 100 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (2.98, 1.91, 31.96 ppm; 4.53 A increased from 3.81 A): 8 out of 32 assignments used, quality = 1.00: HE3 LYS 43 + HB3 LYS 43 OK 96 96 100 100 2.0-4.6 4.7=91, 3849/3.0=38...(35) HE2 LYS 43 + HB3 LYS 43 OK 93 93 100 100 2.2-4.6 4.7=91, 3884/3.0=39...(37) * HE3 LYS 43 + HB2 LYS 43 OK 70 100 70 100 3.2-4.9 4.7=91, 3.9/3824=38...(78) HE3 LYS 73 + HB3 LYS 73 OK 52 52 100 100 2.1-4.6 5198/2.9=89, 4.9=79...(29) HE2 LYS 73 + HB3 LYS 73 OK 40 48 85 100 2.0-4.7 4.9=79, ~5198=64...(33) HE2 LYS 43 + HB2 LYS 43 OK 40 99 40 100 3.4-5.5 4.7=91, 3884/3.0=39...(77) HE3 LYS 73 + HB2 LYS 73 OK 34 56 60 100 3.4-5.3 5198/2.9=89, 4.9=79...(68) HE2 LYS 73 + HB2 LYS 73 OK 23 52 45 100 3.5-5.5 4.9=79, ~5198=64...(72) HE2 LYS 40 - HB2 LYS 43 far 15 97 15 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 9 94 10 - 3.9-8.4 HE2 LYS 40 - HB3 LYS 43 far 5 90 5 - 4.6-9.0 HE3 LYS 40 - HB3 LYS 43 far 0 87 0 - 5.0-9.7 HE3 LYS 39 - HB2 LYS 43 far 0 98 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 99 0 - 5.8-10.6 HE3 LYS 39 - HB3 LYS 43 far 0 92 0 - 6.2-10.7 HE2 LYS 39 - HB3 LYS 43 far 0 94 0 - 6.6-11.7 HE2 LYS 40 - HB2 LYS 44 far 0 89 0 - 6.7-11.1 HE2 LYS 40 - HB3 LYS 44 far 0 92 0 - 7.1-11.7 HE3 LYS 40 - HB2 LYS 44 far 0 85 0 - 7.1-10.9 HE3 LYS 40 - HB3 LYS 44 far 0 88 0 - 7.5-11.6 HE2 LYS 43 - HB2 LYS 44 far 0 91 0 - 7.6-10.2 HE3 LYS 43 - HB2 LYS 73 far 0 57 0 - 7.7-13.4 HE3 LYS 43 - HB2 LYS 44 far 0 94 0 - 7.9-10.0 HE3 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 94 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 54 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 52 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 90 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 50 0 - 9.0-13.7 HE2 LYS 73 - HB2 LYS 43 far 0 97 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 95 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 100 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (7.50, 1.90, 31.96 ppm; 3.24 A): 1 out of 5 assignments used, quality = 0.96: H LYS 43 + HB2 LYS 43 OK 96 96 100 100 2.2-2.6 1275=100, 1276/3.0=41...(19) ! H LYS 43 - HB3 LYS 43 far 0 100 0 - 3.5-3.6 H LYS 43 - HB2 LYS 44 far 0 77 0 - 4.6-5.0 H LYS 43 - HB3 LYS 44 far 0 92 0 - 6.1-6.3 H LYS 43 - HB2 LYS 73 far 0 78 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 3831 from cnoeabs.peaks (4.09, 1.90, 31.96 ppm; 2.66 A): 2 out of 10 assignments used, quality = 0.99: * HA LYS 43 + HB3 LYS 43 OK 98 100 100 98 2.4-2.7 3813=77, 3814/3.0=34...(18) HA LYS 20 + HB3 LYS 20 OK 76 78 100 98 2.3-2.3 3035=75, 3036/2.9=31...(24) HA LYS 20 - HB2 LYS 20 far 4 78 5 - 2.7-3.0 HA LYS 43 - HB2 LYS 43 far 0 96 0 - 3.0-3.0 HA LYS 43 - HB2 LYS 44 far 0 77 0 - 5.6-5.8 HA LYS 43 - HB3 LYS 44 far 0 92 0 - 6.6-6.6 HA GLU 91 - HB2 LYS 96 far 0 71 0 - 7.2-9.4 HA LYS 43 - HB2 LYS 73 far 0 78 0 - 8.6-11.8 HA LYS 43 - HB3 LYS 73 far 0 76 0 - 9.6-11.6 HA GLN 62 - HB2 LYS 96 far 0 64 0 - 9.7-11.6 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 17 assignments used, quality = 1.00: * HG2 LYS 43 + HB3 LYS 43 OK 100 100 100 100 2.7-3.0 3.0=98, 3814/3813=43...(29) HG2 LYS 43 + HB2 LYS 43 OK 96 96 100 100 2.3-3.0 3.0=98, 3814/3.0=41...(62) HG2 LYS 20 + HB2 LYS 20 OK 72 72 100 100 2.4-2.6 2.9=100 HG2 LYS 20 + HB3 LYS 20 OK 72 72 100 100 3.0-3.0 2.9=100 HG2 ARG 30 - HB2 LYS 44 far 0 49 0 - 6.1-8.7 HG2 LYS 43 - HB2 LYS 44 far 0 77 0 - 6.6-7.4 HG2 ARG 30 - HB3 LYS 44 far 0 62 0 - 7.2-9.5 HB3 ARG 30 - HB2 LYS 44 far 0 76 0 - 7.5-9.1 HG2 LYS 43 - HB3 LYS 44 far 0 92 0 - 7.9-8.3 HB2 LYS 61 - HB2 LYS 96 far 0 95 0 - 8.0-9.7 HG LEU 38 - HB2 LYS 43 far 0 89 0 - 8.0-8.8 HD3 LYS 17 - HB2 LYS 20 far 0 76 0 - 8.4-8.9 HB3 ARG 30 - HB3 LYS 44 far 0 92 0 - 8.6-10.2 HG2 LYS 43 - HB2 LYS 73 far 0 78 0 - 9.2-12.4 HG LEU 38 - HB3 LYS 43 far 0 96 0 - 9.5-10.2 HG LEU 38 - HB2 LYS 44 far 0 69 0 - 9.5-10.1 HD3 LYS 17 - HB3 LYS 20 far 0 76 0 - 9.7-10.3 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 12 assignments used, quality = 1.00: * HG3 LYS 43 + HB3 LYS 43 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 43 + HB2 LYS 43 OK 96 96 100 100 2.3-3.0 3.0=100 HG2 LYS 40 - HB2 LYS 43 far 0 87 0 - 4.4-6.6 HG2 LYS 40 - HB3 LYS 43 far 0 94 0 - 5.4-8.2 HG3 LYS 43 - HB2 LYS 44 far 0 77 0 - 6.6-7.5 HG2 LYS 94 - HB2 LYS 96 far 0 97 0 - 6.8-9.5 HG2 LYS 40 - HB2 LYS 44 far 0 67 0 - 7.1-9.8 HG3 LYS 43 - HB3 LYS 44 far 0 92 0 - 7.7-8.3 HG2 LYS 40 - HB3 LYS 44 far 0 83 0 - 7.9-10.7 HB3 LEU 68 - HB2 LYS 96 far 0 84 0 - 8.6-11.5 HB3 LEU 68 - HB2 LYS 73 far 0 64 0 - 9.4-10.5 HG3 LYS 43 - HB2 LYS 73 far 0 78 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (1.68, 1.90, 31.96 ppm; 3.09 A increased from 2.60 A): 5 out of 41 assignments used, quality = 1.00: HD3 LYS 43 + HB3 LYS 43 OK 83 99 85 99 2.1-3.6 3.8=52, 4.8/3813=25...(48) * HD2 LYS 43 + HB3 LYS 43 OK 74 100 75 99 2.1-3.5 3.8=52, 4.8/3813=25...(48) HD2 LYS 73 + HB3 LYS 73 OK 71 71 100 99 2.1-3.1 3.8=52, 5184/3.0=37...(46) HD2 LYS 20 + HB3 LYS 20 OK 65 68 95 100 2.4-3.6 3.4=72, 3039/3.0=27...(69) HD3 LYS 73 + HB3 LYS 73 OK 22 73 30 99 2.6-3.8 3.8=52, 5170/2.9=40...(44) HD3 LYS 73 - HB2 LYS 73 far 11 75 15 - 3.0-4.2 HD2 LYS 43 - HB2 LYS 43 far 10 96 10 - 2.8-4.1 HD3 LYS 43 - HB2 LYS 43 far 9 93 10 - 2.8-4.2 HD3 LYS 20 - HB3 LYS 20 far 4 70 5 - 2.4-3.8 HG3 ARG 95 - HB2 LYS 96 far 0 96 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 74 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 95 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 96 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 70 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 68 0 - 3.6-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 95 0 - 4.2-7.2 HD3 LYS 40 - HB2 LYS 43 far 0 95 0 - 4.9-7.3 HD2 LYS 40 - HB3 LYS 43 far 0 100 0 - 5.2-8.8 HD2 LYS 16 - HB2 LYS 20 far 0 72 0 - 5.8-10.0 HD3 LYS 40 - HB2 LYS 44 far 0 76 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 43 far 0 100 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 92 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 72 0 - 6.5-10.7 HD2 LYS 40 - HB2 LYS 44 far 0 75 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 75 0 - 6.6-8.8 HG12 ILE 71 - HB2 LYS 73 far 0 53 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 66 0 - 6.9-10.5 HB ILE 54 - HB3 LYS 44 far 0 91 0 - 7.2-9.2 HD2 LYS 43 - HB2 LYS 44 far 0 77 0 - 7.3-9.0 HD2 LYS 40 - HB3 LYS 44 far 0 91 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 74 0 - 7.6-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 66 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 78 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 92 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 89 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 51 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 78 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 75 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 99 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 78 0 - 9.8-13.9 HG12 ILE 71 - HB2 LYS 44 far 0 52 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (1.68, 1.90, 31.96 ppm; 2.60 A): 5 out of 52 assignments used, quality = 0.97: HD2 LYS 44 + HB3 LYS 44 OK 57 59 100 97 2.1-2.6 3953=57, ~3954=17...(51) HD2 LYS 43 + HB3 LYS 43 OK 56 99 60 94 2.1-3.5 3.8=31, 2.9/3824=16...(48) * HD3 LYS 43 + HB3 LYS 43 OK 51 100 55 93 2.1-3.6 3.8=31, 2.9/3824=16...(48) HD2 LYS 73 + HB3 LYS 73 OK 49 75 70 93 2.1-3.1 3.8=31, 5184/3.0=25...(33) HD2 LYS 20 + HB3 LYS 20 OK 29 76 40 95 2.4-3.6 3.4=43, 3039/3.0=21...(46) HD3 LYS 20 - HB3 LYS 20 far 4 77 5 - 2.4-3.8 HD3 LYS 73 - HB3 LYS 73 far 4 76 5 - 2.6-3.8 HD3 LYS 43 - HB2 LYS 43 far 0 96 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 52 0 - 2.8-3.7 HD2 LYS 43 - HB2 LYS 43 far 0 93 0 - 2.8-4.1 HD3 LYS 73 - HB2 LYS 73 far 0 78 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 90 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 78 0 - 3.3-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 46 0 - 3.4-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 97 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 96 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 77 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 76 0 - 3.6-4.2 HD3 LYS 44 - HB2 LYS 44 far 0 40 0 - 3.7-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 95 0 - 4.2-7.2 HD3 LYS 44 - HB2 LYS 43 far 0 55 0 - 4.6-7.8 HD3 LYS 40 - HB2 LYS 43 far 0 95 0 - 4.9-7.3 HD3 LYS 44 - HB3 LYS 43 far 0 61 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 62 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 100 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 70 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 70 0 - 5.4-8.4 HD2 LYS 16 - HB2 LYS 20 far 0 78 0 - 5.8-10.0 HD3 LYS 40 - HB2 LYS 44 far 0 75 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 43 far 0 100 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 91 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 78 0 - 6.5-10.7 HD2 LYS 40 - HB2 LYS 44 far 0 76 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 76 0 - 6.6-8.8 HG3 LYS 39 - HB3 LYS 43 far 0 77 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 67 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 75 0 - 6.9-10.5 HB ILE 54 - HB3 LYS 44 far 0 92 0 - 7.2-9.2 HD2 LYS 43 - HB2 LYS 44 far 0 74 0 - 7.3-9.0 HD2 LYS 40 - HB3 LYS 44 far 0 92 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 77 0 - 7.6-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 75 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 77 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 89 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 92 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 64 0 - 8.5-9.2 HG3 LYS 39 - HB2 LYS 44 far 0 52 0 - 9.3-11.4 HD2 LYS 17 - HB3 LYS 20 far 0 77 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 78 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 100 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 75 0 - 9.8-13.9 HG12 ILE 71 - HB2 LYS 44 far 0 65 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (2.98, 1.90, 31.96 ppm; 4.36 A increased from 3.87 A): 11 out of 42 assignments used, quality = 1.00: HE3 LYS 43 + HB3 LYS 43 OK 89 99 90 100 2.0-4.6 4.7=81, 3884/3.0=36...(35) HE3 LYS 73 + HB3 LYS 73 OK 71 75 95 100 2.1-4.6 5198/2.9=90, 4.9=71...(29) HE2 LYS 73 + HB3 LYS 73 OK 56 75 75 100 2.0-4.7 4.9=71, ~5198=59...(33) * HE2 LYS 43 + HB3 LYS 43 OK 50 100 50 100 2.2-4.6 4.7=81, 3884/3.0=37...(37) HE3 LYS 43 + HB2 LYS 43 OK 47 93 50 100 3.2-4.9 4.7=81, 3884/3.0=36...(78) HE3 LYS 20 + HB3 LYS 20 OK 45 50 90 100 2.0-4.6 4.8=73, ~3081=28...(57) HE2 LYS 43 + HB2 LYS 43 OK 38 96 40 100 3.4-5.5 4.7=81, 3884/3.0=37...(77) HE2 LYS 73 + HB2 LYS 73 OK 35 78 45 100 3.5-5.5 4.9=71, ~5198=59...(72) HE3 LYS 73 + HB2 LYS 73 OK 35 77 45 100 3.4-5.3 5198/2.9=90, 4.9=71...(68) HE2 LYS 20 + HB3 LYS 20 OK 30 50 60 100 2.0-4.9 4.8=73, ~3069=24...(56) HE2 LYS 20 + HB2 LYS 20 OK 28 50 55 100 3.6-5.5 4.8=73, ~3069=24...(89) HE3 LYS 20 - HB2 LYS 20 poor 18 50 35 - 3.6-5.0 HE2 LYS 40 - HB2 LYS 43 far 8 79 10 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 7 73 10 - 3.9-8.4 HE2 LYS 40 - HB3 LYS 43 far 0 87 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 59 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 81 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 59 0 - 5.6-8.5 HE3 LYS 39 - HB2 LYS 43 far 0 96 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 96 0 - 5.8-10.6 HB3 ASN 24 - HB3 LYS 20 far 0 59 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 100 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 59 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 100 0 - 6.6-11.7 HE2 LYS 40 - HB2 LYS 44 far 0 60 0 - 6.7-11.1 HE2 LYS 40 - HB3 LYS 44 far 0 75 0 - 7.1-11.7 HE3 LYS 40 - HB2 LYS 44 far 0 55 0 - 7.1-10.9 HE3 LYS 40 - HB3 LYS 44 far 0 69 0 - 7.5-11.6 HE2 LYS 43 - HB2 LYS 44 far 0 77 0 - 7.6-10.2 HE3 LYS 43 - HB2 LYS 73 far 0 75 0 - 7.7-13.4 HE3 LYS 43 - HB2 LYS 44 far 0 74 0 - 7.9-10.0 HD3 ARG 118 - HB2 LYS 20 far 0 68 0 - 8.1-13.3 HE3 LYS 43 - HB3 LYS 44 far 0 89 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 92 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 78 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 73 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 100 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 76 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 68 0 - 9.3-14.6 HE2 LYS 73 - HB2 LYS 43 far 0 95 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 100 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 95 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (2.98, 1.90, 31.96 ppm; 4.36 A increased from 3.87 A): 12 out of 42 assignments used, quality = 1.00: * HE3 LYS 43 + HB3 LYS 43 OK 90 100 90 100 2.0-4.6 4.7=81, 3849/3.0=36...(35) HE3 LYS 73 + HB3 LYS 73 OK 71 75 95 100 2.1-4.6 5198/2.9=86, 4.9=71...(29) HE3 LYS 20 + HB3 LYS 20 OK 58 64 90 100 2.0-4.6 4.8=73, ~3081=28...(57) HE2 LYS 73 + HB3 LYS 73 OK 52 70 75 100 2.0-4.7 4.9=71, ~5198=59...(33) HE2 LYS 43 + HB3 LYS 43 OK 49 99 50 100 2.2-4.6 4.7=81, 3884/3.0=37...(37) HE3 LYS 43 + HB2 LYS 43 OK 48 96 50 100 3.2-4.9 4.7=81, 3849/3.0=36...(78) HE2 LYS 20 + HB3 LYS 20 OK 38 64 60 100 2.0-4.9 4.8=73, 3081/2.9=34...(56) HE2 LYS 43 + HB2 LYS 43 OK 37 93 40 100 3.4-5.5 4.7=81, 3884/3.0=37...(77) HE2 LYS 20 + HB2 LYS 20 OK 35 64 55 100 3.6-5.5 4.8=73, 3081/2.9=34...(89) HE3 LYS 73 + HB2 LYS 73 OK 35 78 45 100 3.4-5.3 5198/2.9=86, 4.9=71...(68) HE2 LYS 73 + HB2 LYS 73 OK 33 73 45 100 3.5-5.5 4.9=71, ~5198=59...(72) HE3 LYS 20 + HB2 LYS 20 OK 22 64 35 100 3.6-5.0 4.8=73, ~3081=28...(89) HE2 LYS 40 - HB2 LYS 43 far 9 90 10 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 9 87 10 - 3.9-8.4 HE2 LYS 40 - HB3 LYS 43 far 0 97 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 70 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 94 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 70 0 - 5.6-8.5 HE3 LYS 39 - HB2 LYS 43 far 0 92 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 94 0 - 5.8-10.6 HB3 ASN 24 - HB3 LYS 20 far 0 70 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 98 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 70 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 99 0 - 6.6-11.7 HE2 LYS 40 - HB2 LYS 44 far 0 71 0 - 6.7-11.1 HE2 LYS 40 - HB3 LYS 44 far 0 87 0 - 7.1-11.7 HE3 LYS 40 - HB2 LYS 44 far 0 67 0 - 7.1-10.9 HE3 LYS 40 - HB3 LYS 44 far 0 83 0 - 7.5-11.6 HE2 LYS 43 - HB2 LYS 44 far 0 74 0 - 7.6-10.2 HE3 LYS 43 - HB2 LYS 73 far 0 78 0 - 7.7-13.4 HE3 LYS 43 - HB2 LYS 44 far 0 77 0 - 7.9-10.0 HD3 ARG 118 - HB2 LYS 20 far 0 76 0 - 8.1-13.3 HE3 LYS 43 - HB3 LYS 44 far 0 92 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 89 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 75 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 76 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 97 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 73 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 76 0 - 9.3-14.6 HE2 LYS 73 - HB2 LYS 43 far 0 90 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 100 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 95 0 - 9.9-16.9 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 2.3-3.0 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 2.5-3.2 3814=100, 3821/3.0=76...(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 6 assignments used, quality = 1.00: * HB2 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.3-3.0 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 - 6.6-7.4 HB2 LEU 45 - HG2 LYS 43 far 0 100 0 - 6.9-7.9 HB3 LYS 44 - HG2 LYS 43 far 0 100 0 - 7.9-8.3 HB2 LYS 73 - HG2 LYS 43 far 0 87 0 - 9.2-12.4 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 7 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 2.3-3.0 3.0=100 HG LEU 45 - HG2 LYS 43 far 0 61 0 - 6.3-7.4 HB2 LYS 44 - HG2 LYS 43 far 0 92 0 - 6.6-7.4 HB2 LEU 45 - HG2 LYS 43 far 0 100 0 - 6.9-7.9 HB3 LYS 44 - HG2 LYS 43 far 0 99 0 - 7.9-8.3 HB2 LYS 73 - HG2 LYS 43 far 0 98 0 - 9.2-12.4 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 - 4.8-8.1 Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (1.68, 1.51, 24.91 ppm; 3.14 A increased from 2.64 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 43 + HG2 LYS 43 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 40 - HG2 LYS 43 far 0 100 0 - 4.6-8.6 HD3 LYS 40 - HG2 LYS 43 far 0 100 0 - 6.1-8.5 HD3 LYS 73 - HG2 LYS 43 far 0 99 0 - 8.3-13.4 HD2 LYS 73 - HG2 LYS 43 far 0 98 0 - 9.9-13.9 HG12 ILE 71 - HG2 LYS 43 far 0 77 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3847 from cnoeabs.peaks (1.68, 1.51, 24.91 ppm; 3.14 A increased from 2.64 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 43 + HG2 LYS 43 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 43 + HG2 LYS 43 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 39 - HG2 LYS 43 far 0 77 0 - 4.4-7.2 HD2 LYS 40 - HG2 LYS 43 far 0 100 0 - 4.6-8.6 HD3 LYS 40 - HG2 LYS 43 far 0 100 0 - 6.1-8.5 HD3 LYS 44 - HG2 LYS 43 far 0 61 0 - 7.2-9.5 HD2 LYS 44 - HG2 LYS 43 far 0 70 0 - 7.7-9.1 HD3 LYS 73 - HG2 LYS 43 far 0 100 0 - 8.3-13.4 HD2 LYS 73 - HG2 LYS 43 far 0 100 0 - 9.9-13.9 HG12 ILE 71 - HG2 LYS 43 far 0 92 0 - 9.9-11.1 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 95 100 95 100 2.4-4.2 3.9=93, 1.8/3884=38...(95) HE3 LYS 43 + HG2 LYS 43 OK 94 99 95 100 2.1-4.2 3.9=93, 1.8/3884=39...(98) HE3 LYS 39 - HG2 LYS 43 far 5 100 5 - 3.9-7.8 HE2 LYS 40 - HG2 LYS 43 far 0 87 0 - 4.2-9.5 HE3 LYS 40 - HG2 LYS 43 far 0 81 0 - 4.2-9.6 HE2 LYS 39 - HG2 LYS 43 far 0 100 0 - 4.5-8.8 HE2 LYS 73 - HG2 LYS 43 far 0 100 0 - 7.6-13.8 HE3 LYS 73 - HG2 LYS 43 far 0 100 0 - 8.1-14.7 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 95 100 95 100 2.1-4.2 3.9=93, 1.8/3884=39...(98) HE2 LYS 43 + HG2 LYS 43 OK 94 99 95 100 2.4-4.2 3.9=93, 1.8/3884=38...(95) HE3 LYS 39 - HG2 LYS 43 far 5 98 5 - 3.9-7.8 HE2 LYS 40 - HG2 LYS 43 far 0 97 0 - 4.2-9.5 HE3 LYS 40 - HG2 LYS 43 far 0 94 0 - 4.2-9.6 HE2 LYS 39 - HG2 LYS 43 far 0 99 0 - 4.5-8.8 HE2 LYS 73 - HG2 LYS 43 far 0 97 0 - 7.6-13.8 HE3 LYS 73 - HG2 LYS 43 far 0 100 0 - 8.1-14.7 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (7.50, 1.37, 24.91 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.3-3.6 4.9=100 H LYS 43 - HG2 LYS 40 far 0 84 0 - 5.8-7.3 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 2.2-3.8 3.9=96, 3814/1.8=90...(54) HA GLU 91 + HG2 LYS 94 OK 34 58 65 92 3.6-4.6 8195/3.0=47, 8194/3.0=29...(9) HA LYS 43 - HG2 LYS 40 far 0 84 0 - 7.3-9.5 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 13 assignments used, quality = 1.00: * HB2 LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 43 + HG3 LYS 43 OK 98 98 100 100 2.5-3.0 3.0=100 HB2 ARG 95 - HG2 LYS 94 far 0 72 0 - 3.7-7.1 HB2 LYS 43 - HG2 LYS 40 far 0 84 0 - 4.4-6.6 HB3 LYS 43 - HG2 LYS 40 far 0 80 0 - 5.4-8.2 HB2 LYS 44 - HG3 LYS 43 far 0 99 0 - 6.6-7.5 HB2 LYS 96 - HG2 LYS 94 far 0 79 0 - 6.8-9.5 HB2 LYS 44 - HG2 LYS 40 far 0 82 0 - 7.1-9.8 HB2 LEU 45 - HG3 LYS 43 far 0 100 0 - 7.1-8.5 HB3 LYS 44 - HG3 LYS 43 far 0 100 0 - 7.7-8.3 HB3 LYS 44 - HG2 LYS 40 far 0 84 0 - 7.9-10.7 HB2 LEU 81 - HG2 LYS 94 far 0 67 0 - 9.8-12.5 HB2 LYS 73 - HG3 LYS 43 far 0 87 0 - 9.8-14.1 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 15 assignments used, quality = 1.00: * HB3 LYS 43 + HG3 LYS 43 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 43 + HG3 LYS 43 OK 98 98 100 100 2.3-3.0 3.0=100 HB2 ARG 95 - HG2 LYS 94 far 0 82 0 - 3.7-7.1 HB2 LYS 43 - HG2 LYS 40 far 0 80 0 - 4.4-6.6 HB3 LYS 43 - HG2 LYS 40 far 0 84 0 - 5.4-8.2 HB2 LYS 44 - HG3 LYS 43 far 0 92 0 - 6.6-7.5 HB2 LYS 96 - HG2 LYS 94 far 0 84 0 - 6.8-9.5 HG LEU 45 - HG3 LYS 43 far 0 61 0 - 7.0-7.9 HB2 LYS 44 - HG2 LYS 40 far 0 72 0 - 7.1-9.8 HB2 LEU 45 - HG3 LYS 43 far 0 100 0 - 7.1-8.5 HB3 LYS 44 - HG3 LYS 43 far 0 99 0 - 7.7-8.3 HB3 LYS 44 - HG2 LYS 40 far 0 81 0 - 7.9-10.7 HG LEU 45 - HG2 LYS 40 far 0 45 0 - 9.1-11.2 HB2 LEU 81 - HG2 LYS 94 far 0 48 0 - 9.8-12.5 HB2 LYS 73 - HG3 LYS 43 far 0 98 0 - 9.8-14.1 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 HG2 LYS 43 - HG2 LYS 40 far 0 84 0 - 4.8-8.1 HG LEU 38 - HG3 LYS 43 far 0 96 0 - 7.3-8.9 HG LEU 38 - HG2 LYS 40 far 0 76 0 - 8.3-9.8 HB3 ARG 30 - HG2 LYS 40 far 0 84 0 - 9.6-13.0 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 12 assignments used, quality = 0.98: * HD2 LYS 43 + HG3 LYS 43 OK 79 100 80 99 2.3-3.0 2.9=79, 3826/3.0=14...(82) HD2 LYS 40 + HG2 LYS 40 OK 75 83 90 100 2.5-3.0 2.9=78, 3711/2.7=47...(30) HD3 LYS 40 + HG2 LYS 40 OK 42 84 50 100 2.3-2.9 2.9=78, 3695/1.8=64...(36) HD3 LYS 43 + HG3 LYS 43 OK 39 99 40 99 2.4-3.0 2.9=79, 3864/1.8=18...(79) HG3 ARG 95 - HG2 LYS 94 far 0 83 0 - 2.9-7.8 HD2 LYS 40 - HG3 LYS 43 far 0 100 0 - 3.6-8.7 HD3 LYS 43 - HG2 LYS 40 far 0 81 0 - 4.4-10.1 HD3 LYS 40 - HG3 LYS 43 far 0 100 0 - 4.9-8.6 HD2 LYS 43 - HG2 LYS 40 far 0 84 0 - 5.0-9.7 HD2 LYS 96 - HG2 LYS 94 far 0 83 0 - 6.8-10.7 HD3 LYS 96 - HG2 LYS 94 far 0 82 0 - 7.8-10.9 HD3 LYS 73 - HG3 LYS 43 far 0 99 0 - 9.8-14.9 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 18 assignments used, quality = 0.98: HD2 LYS 43 + HG3 LYS 43 OK 78 99 80 99 2.3-3.0 2.9=79, 3864/1.8=13...(82) HD2 LYS 40 + HG2 LYS 40 OK 75 84 90 100 2.5-3.0 2.9=78, 3701/2.7=47...(30) HD3 LYS 40 + HG2 LYS 40 OK 41 83 50 100 2.3-2.9 2.9=78, 3694/1.8=64...(36) * HD3 LYS 43 + HG3 LYS 43 OK 40 100 40 99 2.4-3.0 2.9=79, 3864/1.8=17...(79) HG3 ARG 95 - HG2 LYS 94 far 0 76 0 - 2.9-7.8 HG3 LYS 39 - HG2 LYS 40 far 0 58 0 - 3.0-7.9 HD2 LYS 40 - HG3 LYS 43 far 0 100 0 - 3.6-8.7 HD3 LYS 43 - HG2 LYS 40 far 0 84 0 - 4.4-10.1 HG3 LYS 39 - HG3 LYS 43 far 0 77 0 - 4.5-8.1 HD3 LYS 40 - HG3 LYS 43 far 0 100 0 - 4.9-8.6 HD2 LYS 43 - HG2 LYS 40 far 0 81 0 - 5.0-9.7 HD3 LYS 44 - HG2 LYS 40 far 0 45 0 - 5.9-11.9 HD3 LYS 44 - HG3 LYS 43 far 0 61 0 - 6.7-10.0 HD2 LYS 96 - HG2 LYS 94 far 0 83 0 - 6.8-10.7 HD2 LYS 44 - HG3 LYS 43 far 0 70 0 - 7.3-9.4 HD2 LYS 44 - HG2 LYS 40 far 0 52 0 - 7.5-11.6 HD3 LYS 96 - HG2 LYS 94 far 0 84 0 - 7.8-10.9 HD3 LYS 73 - HG3 LYS 43 far 0 100 0 - 9.8-14.9 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 = 0.99: HE3 LYS 43 + HG3 LYS 43 OK 94 99 95 100 2.2-3.8 3.9=76, 3884/1.8=34...(94) * HE2 LYS 43 + HG3 LYS 43 OK 60 100 60 100 2.3-4.0 3.9=76, 3884/1.8=34...(92) HE2 LYS 40 + HG2 LYS 40 OK 57 67 85 100 2.1-4.2 3.9=76, 3723/1.8=50...(48) HE3 LYS 40 + HG2 LYS 40 OK 52 61 85 100 2.1-4.2 3.9=76, ~3723=39...(53) HE2 LYS 40 - HG3 LYS 43 far 13 87 15 - 3.1-9.3 HE3 LYS 40 - HG3 LYS 43 far 4 81 5 - 2.7-10.4 HE3 LYS 39 - HG3 LYS 43 far 0 100 0 - 3.7-8.5 HE2 LYS 39 - HG2 LYS 40 far 0 84 0 - 4.0-9.4 HE2 LYS 39 - HG3 LYS 43 far 0 100 0 - 4.4-9.4 HE3 LYS 39 - HG2 LYS 40 far 0 84 0 - 5.0-10.2 HE3 LYS 43 - HG2 LYS 40 far 0 81 0 - 6.3-9.5 HE2 LYS 43 - HG2 LYS 40 far 0 84 0 - 6.6-11.0 HE2 LYS 73 - HG3 LYS 43 far 0 100 0 - 9.2-15.5 HE3 LYS 73 - HG3 LYS 43 far 0 100 0 - 9.8-16.2 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 95 100 95 100 2.2-3.8 3.9=76, 3849/1.8=33...(94) HE2 LYS 40 + HG2 LYS 40 OK 66 78 85 100 2.1-4.2 3.9=76, 3723/1.8=59...(48) HE3 LYS 40 + HG2 LYS 40 OK 63 74 85 100 2.1-4.2 3.9=76, 3733/1.8=46...(53) HE2 LYS 43 + HG3 LYS 43 OK 59 99 60 100 2.3-4.0 3.9=76, 3884/1.8=34...(92) HE2 LYS 40 - HG3 LYS 43 far 15 97 15 - 3.1-9.3 HE3 LYS 40 - HG3 LYS 43 far 5 94 5 - 2.7-10.4 HE3 LYS 39 - HG3 LYS 43 far 0 98 0 - 3.7-8.5 HE2 LYS 39 - HG2 LYS 40 far 0 82 0 - 4.0-9.4 HE2 LYS 39 - HG3 LYS 43 far 0 99 0 - 4.4-9.4 HE3 LYS 39 - HG2 LYS 40 far 0 80 0 - 5.0-10.2 HE3 LYS 43 - HG2 LYS 40 far 0 84 0 - 6.3-9.5 HE2 LYS 43 - HG2 LYS 40 far 0 81 0 - 6.6-11.0 HE2 LYS 73 - HG3 LYS 43 far 0 97 0 - 9.2-15.5 HE3 LYS 73 - HG3 LYS 43 far 0 100 0 - 9.8-16.2 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 3 assignments used, quality = 1.00: H LYS 43 + HD3 LYS 43 OK 97 97 100 100 4.1-5.1 1274/3.8=88, 1276/2.9=86...(21) * H LYS 43 + HD2 LYS 43 OK 85 100 85 100 4.3-5.2 1274/3.8=88, 1276/2.9=86...(21) H LYS 43 - HD3 LYS 73 far 0 97 0 - 8.9-13.7 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 9 assignments used, quality = 0.98: HA LYS 20 + HD2 LYS 20 OK 82 87 95 99 2.2-4.7 3039=62, 3034/3.4=51...(35) HA LYS 43 + HD3 LYS 43 OK 68 97 70 100 2.1-4.3 3814/2.9=54, 3821/3.8=46...(60) HA LYS 20 + HD3 LYS 20 OK 41 90 45 100 2.5-3.9 3035/3.4=51, 3036/3.0=48...(66) * HA LYS 43 + HD2 LYS 43 OK 40 100 40 100 2.4-4.7 3814/2.9=54, 3821/3.8=46...(65) HA GLU 91 - HD2 LYS 96 far 0 70 0 - 6.6-10.9 HA LYS 43 - HD3 LYS 73 far 0 97 0 - 7.2-13.2 HA GLU 91 - HD3 LYS 96 far 0 68 0 - 7.6-10.7 HA GLN 62 - HD3 LYS 96 far 0 60 0 - 8.5-13.8 HA LYS 43 - HD2 LYS 73 far 0 96 0 - 8.8-13.4 Violated in 0 structures by 0.00 A. Peak 3862 from cnoeabs.peaks (1.91, 1.68, 28.78 ppm; 3.06 A increased from 2.72 A): 5 out of 35 assignments used, quality = 0.99: HB3 LYS 43 + HD3 LYS 43 OK 79 94 85 99 2.1-3.6 3.8=50, 3824/2.9=25...(48) HB3 LYS 73 + HD2 LYS 73 OK 75 76 100 99 2.1-3.1 3.8=50, 3.0/5184=34...(46) HB3 LYS 43 + HD2 LYS 43 OK 73 98 75 99 2.1-3.5 3.8=50, 3826/1.8=27...(48) HB3 LYS 20 + HD2 LYS 20 OK 51 54 95 100 2.4-3.6 3.4=70, 3.0/3039=28...(70) HB3 LYS 73 + HD3 LYS 73 OK 23 78 30 99 2.6-3.8 3.8=50, 2.9/5170=39...(44) HB2 LYS 73 - HD3 LYS 73 far 12 82 15 - 3.0-4.2 HB2 ARG 95 - HD2 LYS 96 poor 10 85 50 24 2.9-8.6 7789/5.7=12, 6028=8, 8327/6077=6 ! HB2 LYS 43 - HD2 LYS 43 far 10 100 10 - 2.8-4.1 HB2 LYS 43 - HD3 LYS 43 far 10 97 10 - 2.8-4.2 HB3 LYS 20 - HD3 LYS 20 far 3 57 5 - 2.4-3.8 HB2 LYS 73 - HD2 LYS 73 far 0 79 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 90 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 92 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 57 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 54 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 82 0 - 3.9-9.2 HB2 LEU 45 - HD3 LYS 43 far 0 97 0 - 6.8-9.2 HB ILE 71 - HD3 LYS 73 far 0 84 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 97 0 - 7.0-12.8 HB3 LYS 17 - HD3 LYS 20 far 0 64 0 - 7.0-8.5 HB2 LEU 45 - HD2 LYS 43 far 0 100 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 99 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 82 0 - 7.4-9.8 HB3 LYS 17 - HD2 LYS 20 far 0 61 0 - 7.4-8.8 HB2 LYS 44 - HD3 LYS 43 far 0 96 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 100 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 97 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 83 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 95 0 - 8.3-12.6 HB ILE 15 - HD2 LYS 20 far 0 79 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 82 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 94 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 91 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 96 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 87 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3863 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 3.06 A increased from 2.72 A): 5 out of 36 assignments used, quality = 1.00: HB3 LYS 73 + HD2 LYS 73 OK 90 90 100 99 2.1-3.1 3.8=50, 3.0/5184=34...(46) HB3 LYS 43 + HD3 LYS 43 OK 82 97 85 99 2.1-3.6 3.8=50, 3824/2.9=24...(48) * HB3 LYS 43 + HD2 LYS 43 OK 74 100 75 99 2.1-3.5 3.8=50, 3826/1.8=26...(48) HB3 LYS 20 + HD2 LYS 20 OK 68 72 95 100 2.4-3.6 3.4=70, 3.0/3039=28...(70) HB3 LYS 73 + HD3 LYS 73 OK 28 93 30 99 2.6-3.8 3.8=50, 2.9/5170=39...(44) HB2 LYS 73 - HD3 LYS 73 far 14 94 15 - 3.0-4.2 HB2 ARG 95 - HD2 LYS 96 poor 12 94 50 26 2.9-8.6 7789/5.7=14, 6028=8, 8327/6077=6 HB2 LYS 43 - HD2 LYS 43 far 10 98 10 - 2.8-4.1 HB2 LYS 43 - HD3 LYS 43 far 9 94 10 - 2.8-4.2 HB3 LYS 20 - HD3 LYS 20 far 4 76 5 - 2.4-3.8 HB2 LYS 73 - HD2 LYS 73 far 0 92 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 94 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 96 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 76 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 72 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 92 0 - 3.9-9.2 HB2 LEU 45 - HD3 LYS 43 far 0 97 0 - 6.8-9.2 HG LEU 45 - HD3 LYS 43 far 0 57 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 95 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 97 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 100 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 92 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 93 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 61 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 87 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 99 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 95 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 67 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 95 0 - 8.3-12.6 HG LEU 45 - HD3 LYS 73 far 0 57 0 - 8.6-13.7 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 94 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 97 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 100 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 98 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3864 from cnoeabs.peaks (1.51, 1.68, 28.78 ppm; 2.55 A increased from 2.40 A): 4 out of 12 assignments used, quality = 0.97: HG2 LYS 20 + HD3 LYS 20 OK 77 85 95 95 2.3-2.7 3.0=65, 3068/1.8=23...(50) HG2 LYS 43 + HD3 LYS 43 OK 57 97 60 98 2.3-3.0 2.9=67, 3814/4.8=14...(72) HG2 LYS 20 + HD2 LYS 20 OK 46 81 60 94 2.3-3.0 3.0=65, 3069/1.8=37...(27) * HG2 LYS 43 + HD2 LYS 43 OK 44 100 45 98 2.3-3.0 2.9=67, 1.8/3856=19...(74) HB2 LYS 61 - HD3 LYS 96 far 0 92 0 - 7.4-12.6 HG2 LYS 43 - HD3 LYS 73 far 0 97 0 - 8.3-13.4 HD3 LYS 17 - HD3 LYS 20 far 0 89 0 - 8.7-10.5 HG LEU 38 - HD3 LYS 43 far 0 91 0 - 8.8-10.7 HB2 LYS 61 - HD2 LYS 96 far 0 94 0 - 8.9-11.6 HG LEU 38 - HD2 LYS 43 far 0 96 0 - 9.3-10.8 HD3 LYS 17 - HD2 LYS 20 far 0 85 0 - 9.3-10.7 HG2 LYS 43 - HD2 LYS 73 far 0 96 0 - 9.9-13.9 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 11 assignments used, quality = 1.00: * HG3 LYS 43 + HD2 LYS 43 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 43 + HD3 LYS 43 OK 97 97 100 100 2.4-3.0 2.9=100 HG2 LYS 40 - HD3 LYS 43 far 0 89 0 - 4.4-10.1 HG2 LYS 40 - HD2 LYS 43 far 0 94 0 - 5.0-9.7 HG2 LYS 94 - HD2 LYS 96 far 0 96 0 - 6.8-10.7 HG2 LYS 94 - HD3 LYS 96 far 0 94 0 - 7.8-10.9 HB3 LEU 68 - HD2 LYS 96 far 0 82 0 - 8.0-12.7 HB3 LEU 68 - HD3 LYS 96 far 0 80 0 - 8.2-13.6 HB3 LEU 68 - HD3 LYS 73 far 0 84 0 - 8.4-11.9 HB3 LEU 68 - HD2 LYS 73 far 0 82 0 - 9.0-12.0 HG3 LYS 43 - HD3 LYS 73 far 0 97 0 - 9.8-14.9 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): 11 out of 34 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 81 97 90 92 2.3-3.0 3.0=62, 3884/2.9=13...(41) HE3 LYS 73 + HD2 LYS 73 OK 53 95 60 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 73 + HD2 LYS 73 OK 53 95 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE2 LYS 73 + HD3 LYS 73 OK 50 97 55 94 2.3-3.0 2.9=66, 3.8/5170=18...(33) HE3 LYS 43 + HD2 LYS 43 OK 50 99 55 92 2.3-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 20 + HD2 LYS 20 OK 41 57 80 90 2.3-3.0 3.0=62, 3.9/3069=9...(34) HE2 LYS 20 + HD3 LYS 20 OK 41 60 75 90 2.3-3.0 3.0=62, 3.9/3069=15...(40) HE3 LYS 73 + HD3 LYS 73 OK 41 97 45 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) * HE2 LYS 43 + HD2 LYS 43 OK 32 100 35 92 2.5-3.0 3.0=62, 3884/2.9=13...(41) HE3 LYS 43 + HD3 LYS 43 OK 26 95 30 90 2.5-3.0 3.0=62, 3884/2.9=12...(38) HE2 LYS 20 + HD2 LYS 20 OK 21 57 40 90 2.4-3.0 3.0=62, 3.9/3069=9...(41) HE3 LYS 20 - HD3 LYS 20 poor 19 60 35 90 2.4-3.0 3.0=62, 3.9/3069=15...(33) HE3 LYS 39 - HD2 LYS 43 far 0 100 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 100 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 97 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 70 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 75 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 97 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 87 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 67 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 82 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 81 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 70 0 - 5.9-13.2 HB3 ASN 24 - HD2 LYS 20 far 0 67 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 100 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 77 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 97 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 95 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 100 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 81 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 93 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 96 0 - 9.0-15.7 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 34 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 79 95 90 92 2.3-3.0 3.0=62, 3884/2.9=12...(41) HE3 LYS 73 + HD2 LYS 73 OK 53 95 60 93 2.3-3.0 2.9=66, 5198/3.0=34...(28) HE3 LYS 20 + HD2 LYS 20 OK 52 72 80 91 2.3-3.0 3.0=62, 3080/3.0=9...(35) HE2 LYS 20 + HD3 LYS 20 OK 52 76 75 91 2.3-3.0 3.0=62, 3.9/3069=15...(41) * HE3 LYS 43 + HD2 LYS 43 OK 50 100 55 92 2.3-3.0 3.0=62, 3884/2.9=12...(38) HE2 LYS 73 + HD2 LYS 73 OK 50 90 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE2 LYS 73 + HD3 LYS 73 OK 48 93 55 94 2.3-3.0 2.9=66, 3.8/5170=18...(33) HE3 LYS 73 + HD3 LYS 73 OK 41 97 45 93 2.3-3.0 2.9=66, 5198/3.0=34...(28) HE2 LYS 43 + HD2 LYS 43 OK 32 99 35 92 2.5-3.0 3.0=62, 3884/2.9=12...(41) HE3 LYS 43 + HD3 LYS 43 OK 26 97 30 90 2.5-3.0 3.0=62, 3884/2.9=12...(38) HE2 LYS 20 + HD2 LYS 20 OK 26 72 40 90 2.4-3.0 3.0=62, 3080/3.0=11...(41) HE3 LYS 20 + HD3 LYS 20 OK 24 76 35 91 2.4-3.0 3.0=62, 3.9/3069=15...(35) HE3 LYS 39 - HD2 LYS 43 far 0 98 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 99 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 94 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 83 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 89 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 96 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 97 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 79 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 93 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 94 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 83 0 - 5.9-13.2 HB3 ASN 24 - HD2 LYS 20 far 0 79 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 93 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 85 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 95 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 97 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 100 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 89 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 96 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 93 0 - 9.0-15.7 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 4 assignments used, quality = 1.00: * H LYS 43 + HD3 LYS 43 OK 100 100 100 100 4.1-5.1 1274/3.8=88, 1276/2.9=86...(21) H LYS 43 + HD2 LYS 43 OK 83 97 85 100 4.3-5.2 1274/3.8=88, 1276/2.9=86...(21) H LYS 43 - HG12 ILE 71 far 0 78 0 - 8.8-9.8 H LYS 43 - HD3 LYS 73 far 0 100 0 - 8.9-13.7 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 10 assignments used, quality = 0.99: HA LYS 20 + HD2 LYS 20 OK 93 99 95 99 2.2-4.7 3039=66, 3034/3.4=51...(35) * HA LYS 43 + HD3 LYS 43 OK 70 100 70 100 2.1-4.3 3814/2.9=54, 3821/3.8=46...(60) HA LYS 20 + HD3 LYS 20 OK 45 99 45 100 2.5-3.9 3035/3.4=51, 3036/3.0=48...(66) HA LYS 43 + HD2 LYS 43 OK 39 97 40 100 2.4-4.7 3814/2.9=54, 3821/3.8=46...(65) HA GLU 91 - HD2 LYS 96 far 0 69 0 - 6.6-10.9 HA LYS 43 - HD3 LYS 73 far 0 100 0 - 7.2-13.2 HA GLU 91 - HD3 LYS 96 far 0 71 0 - 7.6-10.7 HA GLN 62 - HD3 LYS 96 far 0 63 0 - 8.5-13.8 HA LYS 43 - HD2 LYS 73 far 0 100 0 - 8.8-13.4 HA LYS 43 - HG12 ILE 71 far 0 78 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 3872 from cnoeabs.peaks (1.91, 1.68, 28.78 ppm; 2.72 A): 6 out of 40 assignments used, quality = 0.98: HB3 LYS 43 + HD2 LYS 43 OK 63 94 70 96 2.1-3.5 3.8=35, 3826/1.8=22...(48) HB ILE 71 + HG12 ILE 71 OK 58 64 100 90 2.6-2.7 3.0=73, ~5107=23...(7) HB3 LYS 43 + HD3 LYS 43 OK 56 98 60 96 2.1-3.6 3.8=35, 3824/2.9=20...(48) HB3 LYS 73 + HD2 LYS 73 OK 56 84 70 95 2.1-3.1 3.8=35, 3.0/5184=28...(34) HB3 LYS 20 + HD2 LYS 20 OK 26 66 40 97 2.4-3.6 3.4=49, 3.0/3039=23...(52) HB3 LYS 73 + HD3 LYS 73 OK 20 84 25 97 2.6-3.8 3.8=35, 2.9/5170=32...(36) ! HB2 LYS 43 - HD3 LYS 43 far 5 100 5 - 2.8-4.2 HB3 LYS 20 - HD3 LYS 20 far 3 68 5 - 2.4-3.8 HB2 LYS 43 - HD2 LYS 43 far 0 97 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 84 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 87 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 87 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 93 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 91 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 68 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 66 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 86 0 - 3.9-9.2 HB2 LEU 45 - HD3 LYS 43 far 0 100 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 77 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 62 0 - 6.8-8.3 HB ILE 71 - HD3 LYS 73 far 0 90 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 100 0 - 7.0-12.8 HB3 LYS 17 - HD3 LYS 20 far 0 75 0 - 7.0-8.5 HB2 LEU 45 - HD2 LYS 43 far 0 97 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 96 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 89 0 - 7.4-9.8 HB3 LYS 17 - HD2 LYS 20 far 0 74 0 - 7.4-8.8 HB2 LYS 44 - HD3 LYS 43 far 0 99 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 97 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 100 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 94 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 100 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 59 0 - 8.5-9.2 HB ILE 15 - HD2 LYS 20 far 0 93 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 87 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 98 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 96 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 91 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 82 0 - 9.8-13.9 HB2 LYS 44 - HG12 ILE 71 far 0 77 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3873 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 6 out of 42 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 68 75 100 91 2.6-2.7 3.0=73, 1467/1469=23...(7) HB3 LYS 43 + HD2 LYS 43 OK 66 97 70 96 2.1-3.5 3.8=35, 3826/1.8=21...(48) HB3 LYS 73 + HD2 LYS 73 OK 65 97 70 95 2.1-3.1 3.8=35, 3.0/5184=28...(34) * HB3 LYS 43 + HD3 LYS 43 OK 57 100 60 95 2.1-3.6 3.8=35, 3824/2.9=19...(48) HB3 LYS 20 + HD2 LYS 20 OK 34 86 40 97 2.4-3.6 3.4=49, 3.0/3039=23...(52) HB3 LYS 73 + HD3 LYS 73 OK 24 97 25 97 2.6-3.8 3.8=35, 2.9/5170=32...(36) HB2 LYS 43 - HD3 LYS 43 far 5 98 5 - 2.8-4.2 HB3 LYS 20 - HD3 LYS 20 far 4 88 5 - 2.4-3.8 HB2 LYS 43 - HD2 LYS 43 far 0 94 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 94 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 98 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 98 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 97 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 95 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 88 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 86 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 95 0 - 3.9-9.2 HG LEU 45 - HG12 ILE 71 far 0 41 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 100 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 77 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 74 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 61 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 99 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 100 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 97 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 87 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 99 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 57 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 92 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 95 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 99 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 79 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 100 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 73 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 61 0 - 8.6-13.7 HB ILE 15 - HD2 LYS 20 far 0 77 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 98 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 100 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 100 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 97 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 94 0 - 9.8-13.9 HB2 LYS 44 - HG12 ILE 71 far 0 67 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3874 from cnoeabs.peaks (1.51, 1.68, 28.78 ppm; 2.55 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.99: HG2 LYS 20 + HD3 LYS 20 OK 87 96 95 96 2.3-2.7 3.0=65, 3068/1.8=23...(50) * HG2 LYS 43 + HD3 LYS 43 OK 59 100 60 98 2.3-3.0 2.9=67, 3814/4.8=14...(72) HG2 LYS 20 + HD2 LYS 20 OK 53 94 60 94 2.3-3.0 3.0=65, 3069/1.8=37...(27) HG2 LYS 43 + HD2 LYS 43 OK 43 97 45 98 2.3-3.0 2.9=67, 1.8/3857=19...(74) HG LEU 6 - HG12 ILE 71 far 0 73 0 - 6.0-6.7 HB2 LEU 6 - HG12 ILE 71 far 0 75 0 - 6.2-6.7 HG LEU 38 - HG12 ILE 71 far 0 71 0 - 6.5-7.8 HB2 LYS 61 - HD3 LYS 96 far 0 95 0 - 7.4-12.6 HG2 LYS 43 - HD3 LYS 73 far 0 100 0 - 8.3-13.4 HD3 LYS 17 - HD3 LYS 20 far 0 98 0 - 8.7-10.5 HG LEU 38 - HD3 LYS 43 far 0 96 0 - 8.8-10.7 HB2 LYS 61 - HD2 LYS 96 far 0 94 0 - 8.9-11.6 HG LEU 38 - HD2 LYS 43 far 0 91 0 - 9.3-10.8 HD3 LYS 17 - HD2 LYS 20 far 0 97 0 - 9.3-10.7 HG2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.9-13.9 HG2 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3875 from cnoeabs.peaks (1.37, 1.68, 28.78 ppm; 3.06 A): 2 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 2.3-3.0 2.9=100 HG2 LYS 40 - HD3 LYS 43 far 0 94 0 - 4.4-10.1 HG2 LYS 40 - HD2 LYS 43 far 0 89 0 - 5.0-9.7 HB3 LEU 68 - HG12 ILE 71 far 0 64 0 - 5.8-6.1 HG2 LYS 94 - HD2 LYS 96 far 0 95 0 - 6.8-10.7 HG2 LYS 94 - HD3 LYS 96 far 0 96 0 - 7.8-10.9 HB3 LEU 68 - HD2 LYS 96 far 0 81 0 - 8.0-12.7 HB3 LEU 68 - HD3 LYS 96 far 0 83 0 - 8.2-13.6 HB3 LEU 68 - HD3 LYS 73 far 0 90 0 - 8.4-11.9 HB3 LEU 68 - HD2 LYS 73 far 0 89 0 - 9.0-12.0 HG3 LYS 43 - HD3 LYS 73 far 0 100 0 - 9.8-14.9 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 37 assignments used, quality = 1.00: * HE2 LYS 43 + HD3 LYS 43 OK 83 100 90 92 2.3-3.0 3.0=62, 3884/2.9=13...(41) HE3 LYS 73 + HD2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 73 + HD2 LYS 73 OK 55 100 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE2 LYS 73 + HD3 LYS 73 OK 51 100 55 94 2.3-3.0 2.9=66, 3.8/5170=18...(33) HE3 LYS 20 + HD2 LYS 20 OK 50 70 80 90 2.3-3.0 3.0=62, 3.9/3069=10...(34) HE2 LYS 20 + HD3 LYS 20 OK 48 71 75 90 2.3-3.0 3.0=62, 3.9/3069=15...(40) HE3 LYS 43 + HD2 LYS 43 OK 48 95 55 92 2.3-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 73 + HD3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 43 + HD2 LYS 43 OK 31 97 35 92 2.5-3.0 3.0=62, 3884/2.9=13...(41) HE3 LYS 43 + HD3 LYS 43 OK 27 99 30 90 2.5-3.0 3.0=62, 3884/2.9=12...(38) HE2 LYS 20 + HD2 LYS 20 OK 25 70 40 90 2.4-3.0 3.0=62, 3.9/3069=10...(41) HE3 LYS 20 + HD3 LYS 20 OK 23 71 35 90 2.4-3.0 3.0=62, 3.9/3069=15...(33) HE3 LYS 39 - HD2 LYS 43 far 0 97 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 97 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 82 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 81 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 82 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 80 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 87 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 75 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 82 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 77 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 80 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 91 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 99 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 92 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 99 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 75 0 - 9.7-14.2 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 37 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 82 99 90 92 2.3-3.0 3.0=62, 3884/2.9=12...(41) HE3 LYS 20 + HD2 LYS 20 OK 63 86 80 91 2.3-3.0 3.0=62, 3.9/3069=10...(35) HE2 LYS 20 + HD3 LYS 20 OK 60 88 75 91 2.3-3.0 3.0=62, 3.9/3069=15...(41) HE3 LYS 73 + HD2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=66, 5198/3.0=34...(28) HE2 LYS 73 + HD2 LYS 73 OK 54 97 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE2 LYS 73 + HD3 LYS 73 OK 50 97 55 94 2.3-3.0 2.9=66, 3.8/5170=18...(33) HE3 LYS 43 + HD2 LYS 43 OK 49 97 55 92 2.3-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 73 + HD3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=66, 5198/3.0=34...(28) HE2 LYS 20 + HD2 LYS 20 OK 31 86 40 90 2.4-3.0 3.0=62, 3081/3.0=11...(41) HE2 LYS 43 + HD2 LYS 43 OK 31 95 35 92 2.5-3.0 3.0=62, 3884/2.9=12...(41) HE3 LYS 20 + HD3 LYS 20 OK 28 88 35 91 2.4-3.0 3.0=62, 3.9/3069=15...(35) * HE3 LYS 43 + HD3 LYS 43 OK 27 100 30 90 2.5-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 39 - HD2 LYS 43 far 0 94 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 96 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 98 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 94 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 94 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 99 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 93 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 93 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 97 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 89 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 94 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 73 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 93 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 93 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 97 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 99 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 98 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 100 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 99 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (1.91, 2.98, 41.78 ppm; 3.34 A): 3 out of 39 assignments used, quality = 0.66: HB3 LYS 73 + HE2 LYS 73 OK 37 83 45 98 2.0-4.7 ~5198=33, 4.9=32...(34) HB3 LYS 43 + HE2 LYS 43 OK 29 98 30 98 2.2-4.6 4.7=37, 3.0/3884=23...(44) HB3 LYS 73 + HE3 LYS 73 OK 24 82 30 99 2.1-4.6 2.9/5198=62, 4.9=32...(31) HB3 LYS 43 - HE3 LYS 43 far 14 94 15 - 2.0-4.6 HB2 LYS 73 - HE3 LYS 73 far 8 85 10 - 3.4-5.3 ! HB2 LYS 43 - HE2 LYS 43 far 5 100 5 - 3.4-5.5 HB2 LYS 43 - HE3 LYS 43 far 5 97 5 - 3.2-4.9 HB2 LYS 73 - HE2 LYS 73 far 0 86 0 - 3.5-5.5 HB2 LYS 43 - HE2 LYS 40 far 0 73 0 - 3.6-7.6 HB2 LYS 43 - HE3 LYS 40 far 0 63 0 - 3.9-8.4 HB3 LYS 43 - HE2 LYS 40 far 0 69 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 59 0 - 5.0-9.7 HB2 LYS 43 - HE3 LYS 39 far 0 100 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 100 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 98 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 99 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 100 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 98 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 71 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 97 0 - 6.7-10.8 HB3 LYS 44 - HE2 LYS 40 far 0 73 0 - 7.1-11.7 HB2 LYS 44 - HE3 LYS 40 far 0 61 0 - 7.1-10.9 HB ILE 71 - HE3 LYS 73 far 0 88 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 63 0 - 7.5-11.6 HB ILE 71 - HE2 LYS 73 far 0 89 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 99 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 82 0 - 7.7-13.4 HB2 LYS 44 - HE3 LYS 43 far 0 96 0 - 7.9-10.0 HB3 LYS 44 - HE3 LYS 43 far 0 97 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 100 0 - 8.2-10.9 HB2 LYS 73 - HE2 LYS 43 far 0 87 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 78 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 98 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 84 0 - 9.0-13.7 HB2 LYS 43 - HE2 LYS 73 far 0 100 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 97 0 - 9.5-16.7 HB2 LYS 49 - HE2 LYS 43 far 0 96 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 99 0 - 9.9-16.9 Violated in 6 structures by 0.07 A. Peak 3883 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.34 A): 3 out of 45 assignments used, quality = 0.71: HB3 LYS 73 + HE2 LYS 73 OK 43 96 45 98 2.0-4.7 ~5198=33, 4.9=32...(34) * HB3 LYS 43 + HE2 LYS 43 OK 30 100 30 98 2.2-4.6 4.7=37, 3.0/3884=23...(44) HB3 LYS 73 + HE3 LYS 73 OK 28 96 30 99 2.1-4.6 2.9/5198=62, 4.9=32...(31) HB3 LYS 43 - HE3 LYS 43 far 15 97 15 - 2.0-4.6 HB2 LYS 73 - HE3 LYS 73 far 10 97 10 - 3.4-5.3 HB2 LYS 43 - HE2 LYS 43 far 5 98 5 - 3.4-5.5 HB2 LYS 43 - HE3 LYS 43 far 5 94 5 - 3.2-4.9 HB2 LYS 73 - HE2 LYS 73 far 0 98 0 - 3.5-5.5 HB2 LYS 43 - HE2 LYS 40 far 0 69 0 - 3.6-7.6 HB2 LYS 43 - HE3 LYS 40 far 0 59 0 - 3.9-8.4 HB3 LYS 43 - HE2 LYS 40 far 0 73 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 63 0 - 5.0-9.7 HB2 LYS 43 - HE3 LYS 39 far 0 98 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 98 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 100 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 99 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 100 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 100 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 62 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 97 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 57 0 - 6.8-10.7 HG LEU 45 - HE2 LYS 43 far 0 61 0 - 6.8-10.0 HB3 LYS 44 - HE2 LYS 40 far 0 70 0 - 7.1-11.7 HB2 LYS 44 - HE3 LYS 40 far 0 52 0 - 7.1-10.9 HB ILE 71 - HE3 LYS 73 far 0 98 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 60 0 - 7.5-11.6 HB ILE 71 - HE2 LYS 73 far 0 98 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 92 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 94 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 60 0 - 7.9-15.4 HG LEU 45 - HE2 LYS 73 far 0 61 0 - 7.9-14.1 HB2 LYS 44 - HE3 LYS 43 far 0 87 0 - 7.9-10.0 HB3 LYS 44 - HE3 LYS 43 far 0 95 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 99 0 - 8.2-10.9 HB2 LYS 73 - HE2 LYS 43 far 0 98 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 93 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 100 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 97 0 - 9.0-13.7 HG LEU 45 - HE2 LYS 40 far 0 38 0 - 9.2-12.8 HG LEU 45 - HE3 LYS 40 far 0 31 0 - 9.4-12.8 HB2 LYS 43 - HE2 LYS 73 far 0 98 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 99 0 - 9.5-16.7 HB2 LYS 49 - HE2 LYS 43 far 0 100 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 97 0 - 9.9-16.9 Violated in 6 structures by 0.07 A. Peak 3884 from cnoeabs.peaks (1.51, 2.98, 41.78 ppm; 3.75 A increased from 3.00 A): 2 out of 16 assignments used, quality = 1.00: * HG2 LYS 43 + HE2 LYS 43 OK 95 100 95 100 2.4-4.2 3.9=88, 3849/1.8=36...(95) HG2 LYS 43 + HE3 LYS 43 OK 93 97 95 100 2.1-4.2 3.9=88, 3848/1.8=36...(98) HG2 LYS 43 - HE3 LYS 39 far 0 100 0 - 3.9-7.8 HG2 LYS 43 - HE2 LYS 40 far 0 73 0 - 4.2-9.5 HG2 LYS 43 - HE3 LYS 40 far 0 63 0 - 4.2-9.6 HG2 LYS 43 - HE2 LYS 39 far 0 100 0 - 4.5-8.8 HG LEU 38 - HE2 LYS 39 far 0 95 0 - 6.0-9.1 HG LEU 38 - HE3 LYS 39 far 0 95 0 - 6.1-8.7 HG2 LYS 43 - HE2 LYS 73 far 0 100 0 - 7.6-13.8 HG LEU 38 - HE3 LYS 43 far 0 91 0 - 8.0-11.3 HG2 LYS 43 - HE3 LYS 73 far 0 99 0 - 8.1-14.7 HG LEU 38 - HE2 LYS 40 far 0 66 0 - 8.1-11.9 HG LEU 38 - HE2 LYS 43 far 0 96 0 - 8.5-11.6 HG LEU 38 - HE3 LYS 40 far 0 56 0 - 9.1-11.7 HG LEU 38 - HE3 LYS 73 far 0 94 0 - 9.4-14.4 HG LEU 38 - HE2 LYS 73 far 0 95 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 3885 from cnoeabs.peaks (1.37, 2.98, 41.78 ppm; 3.53 A increased from 2.97 A): 4 out of 16 assignments used, quality = 0.99: HG3 LYS 43 + HE3 LYS 43 OK 88 97 90 100 2.2-3.8 3.9=73, 1.8/3884=33...(94) * HG3 LYS 43 + HE2 LYS 43 OK 60 100 60 100 2.3-4.0 3.9=73, 1.8/3884=34...(92) HG2 LYS 40 + HE2 LYS 40 OK 51 64 80 100 2.1-4.2 3.9=72, 1.8/3696=39...(48) HG2 LYS 40 + HE3 LYS 40 OK 43 54 80 100 2.1-4.2 3.9=72, ~3723=38...(53) HG3 LYS 43 - HE2 LYS 40 far 11 73 15 - 3.1-9.3 HG3 LYS 43 - HE3 LYS 40 far 3 63 5 - 2.7-10.4 HG3 LYS 43 - HE3 LYS 39 far 0 100 0 - 3.7-8.5 HG2 LYS 40 - HE2 LYS 39 far 0 94 0 - 4.0-9.4 HG3 LYS 43 - HE2 LYS 39 far 0 100 0 - 4.4-9.4 HG2 LYS 40 - HE3 LYS 39 far 0 94 0 - 5.0-10.2 HG2 LYS 40 - HE3 LYS 43 far 0 89 0 - 6.3-9.5 HG2 LYS 40 - HE2 LYS 43 far 0 94 0 - 6.6-11.0 HB3 LEU 68 - HE2 LYS 73 far 0 89 0 - 8.7-13.5 HB3 LEU 68 - HE3 LYS 73 far 0 88 0 - 8.8-12.5 HG3 LYS 43 - HE2 LYS 73 far 0 100 0 - 9.2-15.5 HG3 LYS 43 - HE3 LYS 73 far 0 99 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 3886 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 12 out of 39 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 82 99 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 43 + HE3 LYS 43 OK 58 97 65 92 2.3-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 73 + HE3 LYS 73 OK 54 97 60 94 2.3-3.0 2.9=67, 3.0/5198=35...(28) HD2 LYS 73 + HE2 LYS 73 OK 54 98 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 73 + HE2 LYS 73 OK 51 98 55 94 2.3-3.0 2.9=67, 5170/3.8=18...(31) * HD2 LYS 43 + HE2 LYS 43 OK 41 100 45 92 2.5-3.0 3.0=63, 2.9/3884=13...(40) HD3 LYS 73 + HE3 LYS 73 OK 41 98 45 94 2.3-3.0 2.9=67, 3.0/5198=35...(28) HD2 LYS 40 + HE3 LYS 40 OK 40 62 70 92 2.3-3.0 3.0=63, 3711/5.0=13...(26) HD3 LYS 43 + HE3 LYS 43 OK 39 95 45 90 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 40 + HE2 LYS 40 OK 33 72 50 91 2.3-3.0 3.0=63, 2.9/3696=15...(25) HD3 LYS 40 + HE2 LYS 40 OK 23 73 35 91 2.4-3.0 3.0=63, 3695/3.9=24...(25) HD3 LYS 40 + HE3 LYS 40 OK 20 62 35 92 2.3-3.0 3.0=63, 3695/3.9=24...(26) HD2 LYS 43 - HE3 LYS 39 far 0 100 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 100 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 99 0 - 4.0-9.5 HD3 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.3 HD3 LYS 43 - HE3 LYS 40 far 0 60 0 - 4.6-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 100 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.7-10.7 HD2 LYS 43 - HE2 LYS 40 far 0 73 0 - 4.9-10.7 HD3 LYS 40 - HE2 LYS 39 far 0 100 0 - 5.3-10.9 HD3 LYS 43 - HE2 LYS 40 far 0 70 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 63 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 97 0 - 5.9-10.5 HD2 LYS 40 - HE2 LYS 43 far 0 100 0 - 6.1-11.0 HG12 ILE 71 - HE3 LYS 73 far 0 75 0 - 6.3-10.7 HD3 LYS 40 - HE2 LYS 43 far 0 100 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 97 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 76 0 - 6.6-10.4 HD2 LYS 43 - HE2 LYS 73 far 0 100 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 98 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 98 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 99 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 95 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 99 0 - 7.8-15.5 HD2 LYS 73 - HE3 LYS 43 far 0 94 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 98 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 72 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3887 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 11 out of 54 assignments used, quality = 1.00: * HD3 LYS 43 + HE2 LYS 43 OK 83 100 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 43 + HE3 LYS 43 OK 57 95 65 92 2.3-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 73 + HE3 LYS 73 OK 56 99 60 94 2.3-3.0 2.9=67, 3.0/5198=35...(28) HD2 LYS 73 + HE2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 73 + HE2 LYS 73 OK 52 100 55 94 2.3-3.0 2.9=67, 5170/3.8=18...(31) HD3 LYS 73 + HE3 LYS 73 OK 42 99 45 94 2.3-3.0 2.9=67, 3.0/5198=35...(28) HD2 LYS 43 + HE2 LYS 43 OK 41 99 45 92 2.5-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 40 + HE3 LYS 40 OK 40 62 70 92 2.3-3.0 3.0=63, 3701/5.0=13...(26) HD3 LYS 43 + HE3 LYS 43 OK 39 97 45 90 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 40 + HE2 LYS 40 OK 33 73 50 91 2.3-3.0 3.0=63, 2.9/3696=15...(25) HD3 LYS 40 + HE2 LYS 40 OK 23 72 35 91 2.4-3.0 3.0=63, 3694/3.9=24...(25) HD3 LYS 40 - HE3 LYS 40 poor 20 62 35 92 2.3-3.0 3.0=63, 3694/3.9=24...(26) HG3 LYS 39 - HE2 LYS 39 poor 19 77 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 4 77 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 99 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 99 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 100 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 38 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 49 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 63 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 31 0 - 4.6-12.8 HD2 LYS 40 - HE2 LYS 39 far 0 100 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 100 0 - 4.7-10.7 HD2 LYS 43 - HE2 LYS 40 far 0 70 0 - 4.9-10.7 HD3 LYS 40 - HE2 LYS 39 far 0 100 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 72 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 73 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 60 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 97 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 44 0 - 5.9-12.6 HG3 LYS 39 - HE3 LYS 40 far 0 41 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 100 0 - 6.1-11.0 HG12 ILE 71 - HE3 LYS 73 far 0 90 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 36 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 77 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 100 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 97 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 91 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 57 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 64 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 61 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 70 0 - 7.1-11.5 HD2 LYS 43 - HE2 LYS 73 far 0 98 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 100 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 99 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 100 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 97 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 98 0 - 7.8-15.5 HD2 LYS 73 - HE3 LYS 43 far 0 97 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 100 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 87 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 61 0 - 9.8-15.7 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 2.5-5.8 3814/3.9=98, 3821/4.7=96...(63) HA LYS 43 + HE2 LYS 43 OK 97 97 100 100 2.1-5.0 3814/3.9=98, 3821/4.7=96...(60) HA LYS 20 + HE3 LYS 20 OK 78 78 100 100 2.4-5.6 3036/3.9=96, 3035/4.8=94...(55) HA LYS 20 + HE2 LYS 20 OK 78 78 100 100 2.4-5.0 3036/3.9=96, 3034/4.8=94...(55) HA LYS 43 - HE2 LYS 40 far 0 93 0 - 6.4-10.5 HA LYS 43 - HE3 LYS 40 far 0 87 0 - 6.4-11.3 HA LYS 43 - HE2 LYS 73 far 0 93 0 - 6.6-13.5 HA LYS 43 - HE3 LYS 39 far 0 96 0 - 6.9-10.1 HA LYS 43 - HE3 LYS 73 far 0 100 0 - 7.1-14.5 HA LYS 43 - HE2 LYS 39 far 0 99 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (1.91, 2.98, 41.78 ppm; 4.18 A increased from 3.34 A): 9 out of 47 assignments used, quality = 0.99: HB3 LYS 43 + HE3 LYS 43 OK 59 98 60 100 2.0-4.6 4.7=72, 3.0/3849=34...(42) HB3 LYS 73 + HE3 LYS 73 OK 58 83 70 100 2.1-4.6 2.9/5198=74, 4.9=62...(33) HB3 LYS 73 + HE2 LYS 73 OK 48 73 65 100 2.0-4.7 4.9=62, ~5198=55...(36) HB3 LYS 43 + HE2 LYS 43 OK 42 94 45 100 2.2-4.6 4.7=72, 3.0/3849=34...(44) HB3 LYS 20 + HE3 LYS 20 OK 40 47 85 100 2.0-4.6 4.8=65, 2.9/3081=28...(60) HB2 LYS 73 + HE2 LYS 73 OK 31 76 40 100 3.5-5.5 4.9=62, ~5198=55...(73) HB2 LYS 73 + HE3 LYS 73 OK 30 86 35 100 3.4-5.3 2.9/5198=74, 4.9=62...(70) HB3 LYS 20 + HE2 LYS 20 OK 28 47 60 100 2.0-4.9 4.8=65, 2.9/3081=34...(57) HB2 LYS 20 + HE2 LYS 20 OK 26 47 55 100 3.6-5.5 4.8=65, 2.9/3080=34...(92) HB2 LYS 43 - HE2 LYS 43 poor 19 97 20 - 3.4-5.5 HB2 LYS 20 - HE3 LYS 20 poor 17 47 35 - 3.6-5.0 ! HB2 LYS 43 - HE3 LYS 43 far 15 100 15 - 3.2-4.9 HB2 LYS 43 - HE2 LYS 40 far 9 93 10 - 3.6-7.6 HB2 LYS 43 - HE3 LYS 40 far 9 87 10 - 3.9-8.4 HB3 LYS 43 - HE2 LYS 40 far 0 89 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 83 0 - 5.0-9.7 HB2 LYS 43 - HE3 LYS 39 far 0 96 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 99 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 92 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 92 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 97 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 96 0 - 6.6-11.7 HB3 LYS 17 - HE3 LYS 20 far 0 53 0 - 6.6-10.2 HB2 LYS 44 - HE2 LYS 40 far 0 92 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 100 0 - 6.7-10.8 HB3 LYS 17 - HE2 LYS 20 far 0 53 0 - 6.9-9.7 HB3 LYS 44 - HE2 LYS 40 far 0 93 0 - 7.1-11.7 HB2 LYS 44 - HE3 LYS 40 far 0 85 0 - 7.1-10.9 HB ILE 71 - HE3 LYS 73 far 0 89 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 87 0 - 7.5-11.6 HB ILE 71 - HE2 LYS 73 far 0 79 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 96 0 - 7.6-10.2 HB ILE 15 - HE3 LYS 20 far 0 71 0 - 7.6-12.6 HB ILE 15 - HE2 LYS 20 far 0 71 0 - 7.6-12.7 HB2 LYS 73 - HE3 LYS 43 far 0 87 0 - 7.7-13.4 HB2 LYS 44 - HE3 LYS 43 far 0 99 0 - 7.9-10.0 HB3 LYS 44 - HE3 LYS 43 far 0 100 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 97 0 - 8.2-10.9 HB2 LYS 73 - HE2 LYS 43 far 0 82 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 84 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 89 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 78 0 - 9.0-13.7 HB2 LYS 43 - HE2 LYS 73 far 0 93 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 98 0 - 9.5-16.7 HB2 LYS 49 - HE2 LYS 43 far 0 91 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 100 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 3893 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 4.18 A increased from 3.34 A): 10 out of 51 assignments used, quality = 1.00: HB3 LYS 73 + HE3 LYS 73 OK 67 96 70 100 2.1-4.6 2.9/5198=74, 4.9=62...(33) * HB3 LYS 43 + HE3 LYS 43 OK 60 100 60 100 2.0-4.6 4.7=72, 3.0/3849=34...(42) HB3 LYS 73 + HE2 LYS 73 OK 57 88 65 100 2.0-4.7 4.9=62, ~5198=55...(36) HB3 LYS 20 + HE3 LYS 20 OK 54 64 85 100 2.0-4.6 4.8=65, 2.9/3081=28...(60) HB3 LYS 43 + HE2 LYS 43 OK 44 97 45 100 2.2-4.6 4.7=72, 3.0/3849=34...(44) HB3 LYS 20 + HE2 LYS 20 OK 38 64 60 100 2.0-4.9 4.8=65, 2.9/3081=34...(57) HB2 LYS 73 + HE2 LYS 73 OK 36 89 40 100 3.5-5.5 4.9=62, ~5198=55...(73) HB2 LYS 20 + HE2 LYS 20 OK 35 64 55 100 3.6-5.5 4.8=65, 2.9/3080=34...(92) HB2 LYS 73 + HE3 LYS 73 OK 34 98 35 100 3.4-5.3 2.9/5198=74, 4.9=62...(70) HB2 LYS 20 + HE3 LYS 20 OK 22 64 35 100 3.6-5.0 4.8=65, 2.9/3080=28...(92) HB2 LYS 43 - HE2 LYS 43 poor 19 94 20 - 3.4-5.5 HB2 LYS 43 - HE3 LYS 43 far 15 98 15 - 3.2-4.9 HB2 LYS 43 - HE2 LYS 40 far 9 89 10 - 3.6-7.6 HB2 LYS 43 - HE3 LYS 40 far 8 83 10 - 3.9-8.4 HB3 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 87 0 - 5.0-9.7 HB2 LYS 43 - HE3 LYS 39 far 0 92 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 96 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 99 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 96 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 92 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 97 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 99 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 82 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 100 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 61 0 - 6.8-10.7 HG LEU 45 - HE2 LYS 43 far 0 57 0 - 6.8-10.0 HB3 LYS 44 - HE2 LYS 40 far 0 91 0 - 7.1-11.7 HB2 LYS 44 - HE3 LYS 40 far 0 75 0 - 7.1-10.9 HB ILE 71 - HE3 LYS 73 far 0 98 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 84 0 - 7.5-11.6 HB ILE 71 - HE2 LYS 73 far 0 91 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 87 0 - 7.6-10.2 HB ILE 15 - HE3 LYS 20 far 0 56 0 - 7.6-12.6 HB ILE 15 - HE2 LYS 20 far 0 56 0 - 7.6-12.7 HB2 LYS 73 - HE3 LYS 43 far 0 98 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 61 0 - 7.9-15.4 HG LEU 45 - HE2 LYS 73 far 0 52 0 - 7.9-14.1 HB2 LYS 44 - HE3 LYS 43 far 0 92 0 - 7.9-10.0 HB3 LYS 44 - HE3 LYS 43 far 0 99 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 95 0 - 8.2-10.9 HB2 LYS 73 - HE2 LYS 43 far 0 94 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 97 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 93 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 93 0 - 9.0-13.7 HG LEU 45 - HE2 LYS 40 far 0 52 0 - 9.2-12.8 HG LEU 45 - HE3 LYS 40 far 0 47 0 - 9.4-12.8 HB2 LYS 43 - HE2 LYS 73 far 0 89 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 100 0 - 9.5-16.7 HB2 LYS 49 - HE2 LYS 43 far 0 97 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 98 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 3894 from cnoeabs.peaks (1.51, 2.98, 41.78 ppm; 3.75 A increased from 3.00 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 43 + HE3 LYS 43 OK 95 100 95 100 2.1-4.2 3.9=88, 3848/1.8=36...(98) HG2 LYS 43 + HE2 LYS 43 OK 93 97 95 100 2.4-4.2 3.9=88, 3849/1.8=36...(95) HG2 LYS 20 + HE2 LYS 20 OK 69 72 95 100 2.8-4.1 3.9=90, 3069/3.0=47...(74) HG2 LYS 20 + HE3 LYS 20 OK 54 72 75 100 2.6-4.2 3.9=90, 3069/3.0=47...(74) HG2 LYS 43 - HE3 LYS 39 far 0 96 0 - 3.9-7.8 HG2 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.2-9.5 HG2 LYS 43 - HE3 LYS 40 far 0 87 0 - 4.2-9.6 HG2 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.5-8.8 HG LEU 38 - HE2 LYS 39 far 0 93 0 - 6.0-9.1 HG LEU 38 - HE3 LYS 39 far 0 89 0 - 6.1-8.7 HG2 LYS 43 - HE2 LYS 73 far 0 93 0 - 7.6-13.8 HG LEU 38 - HE3 LYS 43 far 0 96 0 - 8.0-11.3 HD3 LYS 17 - HE3 LYS 20 far 0 76 0 - 8.0-11.9 HG2 LYS 43 - HE3 LYS 73 far 0 100 0 - 8.1-14.7 HG LEU 38 - HE2 LYS 40 far 0 86 0 - 8.1-11.9 HD3 LYS 17 - HE2 LYS 20 far 0 76 0 - 8.4-11.5 HG LEU 38 - HE2 LYS 43 far 0 91 0 - 8.5-11.6 HG LEU 38 - HE3 LYS 40 far 0 79 0 - 9.1-11.7 HG LEU 38 - HE3 LYS 73 far 0 95 0 - 9.4-14.4 HG LEU 38 - HE2 LYS 73 far 0 86 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (1.37, 2.98, 41.78 ppm; 3.53 A increased from 2.97 A): 4 out of 16 assignments used, quality = 0.99: * HG3 LYS 43 + HE3 LYS 43 OK 90 100 90 100 2.2-3.8 3.9=73, 1.8/3849=32...(94) HG2 LYS 40 + HE2 LYS 40 OK 67 84 80 100 2.1-4.2 3.9=72, 1.8/3723=52...(48) HG2 LYS 40 + HE3 LYS 40 OK 62 77 80 100 2.1-4.2 3.9=72, ~3723=38...(53) HG3 LYS 43 + HE2 LYS 43 OK 58 97 60 100 2.3-4.0 3.9=73, 1.8/3849=32...(92) HG3 LYS 43 - HE2 LYS 40 far 14 93 15 - 3.1-9.3 HG3 LYS 43 - HE3 LYS 40 far 4 87 5 - 2.7-10.4 HG3 LYS 43 - HE3 LYS 39 far 0 96 0 - 3.7-8.5 HG2 LYS 40 - HE2 LYS 39 far 0 91 0 - 4.0-9.4 HG3 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.4-9.4 HG2 LYS 40 - HE3 LYS 39 far 0 87 0 - 5.0-10.2 HG2 LYS 40 - HE3 LYS 43 far 0 94 0 - 6.3-9.5 HG2 LYS 40 - HE2 LYS 43 far 0 89 0 - 6.6-11.0 HB3 LEU 68 - HE2 LYS 73 far 0 79 0 - 8.7-13.5 HB3 LEU 68 - HE3 LYS 73 far 0 89 0 - 8.8-12.5 HG3 LYS 43 - HE2 LYS 73 far 0 93 0 - 9.2-15.5 HG3 LYS 43 - HE3 LYS 73 far 0 100 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 3896 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 16 out of 49 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 79 95 90 92 2.3-3.0 3.0=63, 2.9/3849=12...(40) * HD2 LYS 43 + HE3 LYS 43 OK 60 100 65 92 2.3-3.0 3.0=63, 2.9/3849=12...(37) HD2 LYS 40 + HE3 LYS 40 OK 56 86 70 93 2.3-3.0 3.0=63, 2.9/3733=15...(27) HD2 LYS 73 + HE3 LYS 73 OK 54 98 60 93 2.3-3.0 2.9=67, 3.0/5198=30...(28) HD2 LYS 20 + HE3 LYS 20 OK 51 69 80 93 2.3-3.0 3.0=63, 3.0/3080=10...(39) HD2 LYS 73 + HE2 LYS 73 OK 50 89 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 20 + HE2 LYS 20 OK 49 71 75 93 2.3-3.0 3.0=63, 3069/3.9=14...(45) HD3 LYS 73 + HE2 LYS 73 OK 47 91 55 94 2.3-3.0 2.9=67, 5170/3.8=18...(31) HD2 LYS 40 + HE2 LYS 40 OK 42 92 50 92 2.3-3.0 3.0=63, 2.9/3723=21...(26) HD3 LYS 73 + HE3 LYS 73 OK 41 98 45 93 2.3-3.0 2.9=67, 3.0/5198=30...(28) HD2 LYS 43 + HE2 LYS 43 OK 40 97 45 92 2.5-3.0 3.0=63, 2.9/3849=12...(40) HD3 LYS 43 + HE3 LYS 43 OK 40 99 45 90 2.5-3.0 3.0=63, 2.9/3849=12...(37) HD3 LYS 40 + HE2 LYS 40 OK 30 93 35 91 2.4-3.0 3.0=63, 3695/3.9=24...(26) HD3 LYS 20 + HE3 LYS 20 OK 29 71 45 92 2.4-3.0 3.0=63, 3069/3.9=14...(39) HD2 LYS 20 + HE2 LYS 20 OK 28 69 45 92 2.4-3.0 3.0=63, 3.0/3081=13...(45) HD3 LYS 40 + HE3 LYS 40 OK 28 86 35 93 2.3-3.0 3.0=63, 3695/3.9=24...(27) HD2 LYS 43 - HE3 LYS 39 far 0 96 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 99 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 93 0 - 4.0-9.5 HD3 LYS 40 - HE3 LYS 39 far 0 95 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 95 0 - 4.3-11.3 HD3 LYS 43 - HE3 LYS 40 far 0 84 0 - 4.6-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 98 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 97 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 72 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 93 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 72 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 98 0 - 5.3-10.9 HD3 LYS 43 - HE2 LYS 40 far 0 91 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 87 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 100 0 - 5.9-10.5 HD3 LYS 16 - HE2 LYS 20 far 0 66 0 - 5.9-11.2 HD2 LYS 40 - HE2 LYS 43 far 0 97 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 66 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 76 0 - 6.3-10.7 HD3 LYS 40 - HE2 LYS 43 far 0 97 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 100 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 67 0 - 6.6-10.4 HD2 LYS 43 - HE2 LYS 73 far 0 93 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 91 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 98 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 95 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 99 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 100 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 78 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 78 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 98 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 94 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 77 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3897 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 16 out of 64 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 81 97 90 92 2.3-3.0 3.0=63, 2.9/3849=12...(40) HD2 LYS 43 + HE3 LYS 43 OK 59 99 65 92 2.3-3.0 3.0=63, 2.9/3849=12...(37) HD2 LYS 20 + HE3 LYS 20 OK 57 76 80 93 2.3-3.0 3.0=63, 3.0/3080=10...(39) HD2 LYS 40 + HE3 LYS 40 OK 56 86 70 93 2.3-3.0 3.0=63, 2.9/3733=15...(27) HD2 LYS 73 + HE3 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=67, 3.0/5198=30...(28) HD3 LYS 20 + HE2 LYS 20 OK 54 77 75 93 2.3-3.0 3.0=63, 3069/3.9=16...(45) HD2 LYS 73 + HE2 LYS 73 OK 52 93 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 73 + HE2 LYS 73 OK 48 93 55 94 2.3-3.0 2.9=67, 5170/3.8=18...(31) HD2 LYS 40 + HE2 LYS 40 OK 43 93 50 92 2.3-3.0 3.0=63, 2.9/3723=21...(26) HD3 LYS 73 + HE3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=67, 3.0/5198=30...(28) * HD3 LYS 43 + HE3 LYS 43 OK 40 100 45 90 2.5-3.0 3.0=63, 2.9/3849=12...(37) HD2 LYS 43 + HE2 LYS 43 OK 39 95 45 92 2.5-3.0 3.0=63, 2.9/3849=12...(40) HD3 LYS 20 + HE3 LYS 20 OK 32 77 45 93 2.4-3.0 3.0=63, 3069/3.9=16...(39) HD2 LYS 20 + HE2 LYS 20 OK 32 76 45 92 2.4-3.0 3.0=63, 3.0/3080=13...(45) HD3 LYS 40 + HE2 LYS 40 OK 29 92 35 91 2.4-3.0 3.0=63, 3694/3.9=24...(26) HD3 LYS 40 + HE3 LYS 40 OK 28 86 35 93 2.3-3.0 3.0=63, 3694/3.9=24...(27) HG3 LYS 39 - HE2 LYS 39 poor 18 74 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 3 70 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 93 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 97 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 96 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 52 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 95 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 95 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 67 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 87 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 47 0 - 4.6-12.8 HD2 LYS 40 - HE2 LYS 39 far 0 98 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 78 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 91 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 78 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 98 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 77 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 93 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 84 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 100 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 60 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 75 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 61 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 97 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 75 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 91 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 54 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 72 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 97 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 100 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 82 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 61 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 70 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 57 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 64 0 - 7.1-11.5 HD2 LYS 43 - HE2 LYS 73 far 0 91 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 93 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 100 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 97 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 98 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 77 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 77 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 100 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 97 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 92 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 58 0 - 9.8-15.7 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 2.8-2.8 3.0=100 H LYS 44 - HA GLU 37 far 0 59 0 - 8.2-8.7 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): 1 out of 13 assignments used, quality = 0.99: HB3 LYS 44 + HA LYS 44 OK 99 99 100 100 2.3-2.5 3.0=88, 2.9/3904=37...(31) ! HB2 LYS 44 - HA LYS 44 far 5 100 5 - 2.7-3.0 HB2 LYS 49 - HA LYS 44 far 0 87 0 - 3.6-11.2 HB3 LYS 43 - HA LYS 44 far 0 92 0 - 4.1-4.5 HB2 LYS 43 - HA LYS 44 far 0 99 0 - 4.2-4.7 HB ILE 71 - HA GLU 69 far 0 67 0 - 5.0-5.3 HB2 LYS 73 - HA GLU 69 far 0 63 0 - 5.6-7.3 HB2 LEU 45 - HA LYS 44 far 0 97 0 - 5.9-6.0 HB3 LYS 73 - HA GLU 69 far 0 59 0 - 7.3-7.8 HB2 LYS 43 - HA GLU 37 far 0 57 0 - 7.5-8.1 HB2 LYS 44 - HA GLU 37 far 0 59 0 - 8.3-9.8 HB3 LYS 43 - HA GLU 37 far 0 49 0 - 9.2-9.8 HB3 LYS 44 - HA GLU 37 far 0 56 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (1.91, 4.06, 59.50 ppm; 2.86 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LYS 44 + HA LYS 44 OK 100 100 100 100 2.3-2.5 3.0=88, 2.9/3904=37...(31) HB2 LYS 44 - HA LYS 44 far 5 99 5 - 2.7-3.0 HB2 LYS 49 - HA LYS 44 far 0 97 0 - 3.6-11.2 HB3 LYS 43 - HA LYS 44 far 0 99 0 - 4.1-4.5 HB2 LYS 43 - HA LYS 44 far 0 100 0 - 4.2-4.7 HB ILE 71 - HA GLU 69 far 0 81 0 - 5.0-5.3 HB2 LYS 73 - HA GLU 69 far 0 79 0 - 5.6-7.3 HB2 LEU 45 - HA LYS 44 far 0 100 0 - 5.9-6.0 HB3 LYS 73 - HA GLU 69 far 0 76 0 - 7.3-7.8 HB2 LYS 43 - HA GLU 37 far 0 59 0 - 7.5-8.1 HB2 LYS 44 - HA GLU 37 far 0 56 0 - 8.3-9.8 HB3 LYS 43 - HA GLU 37 far 0 56 0 - 9.2-9.8 HB3 LYS 44 - HA GLU 37 far 0 59 0 - 9.9-11.0 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 5 assignments used, quality = 0.95: * HG2 LYS 44 + HA LYS 44 OK 95 100 95 100 2.6-3.6 2.9/3902=64, 1.8/3905=59...(43) HG2 LYS 73 - HA GLU 69 far 0 67 0 - 4.5-6.5 HG LEU 68 - HA GLU 69 far 0 89 0 - 6.2-6.5 HB3 LEU 70 - HA GLU 69 far 0 76 0 - 6.6-6.6 HG2 LYS 44 - HA GLU 37 far 0 59 0 - 7.7-9.5 Violated in 1 structures by 0.01 A. Peak 3905 from cnoeabs.peaks (1.44, 4.06, 59.50 ppm; 3.89 A increased from 3.66 A): 1 out of 7 assignments used, quality = 0.95: * HG3 LYS 44 + HA LYS 44 OK 95 100 95 100 3.7-4.2 1.8/3904=86, 4.2=82...(45) HG2 LYS 39 - HA GLU 37 far 0 29 0 - 6.2-7.6 HG3 LYS 44 - HA GLU 37 far 0 59 0 - 7.5-8.8 HB3 LEU 63 - HA GLU 37 far 0 45 0 - 8.4-9.3 HG3 ARG 30 - HA LYS 44 far 0 81 0 - 8.5-12.1 HG3 ARG 30 - HA GLU 37 far 0 41 0 - 8.6-11.1 HG2 LYS 39 - HA LYS 44 far 0 61 0 - 8.9-12.4 Violated in 1 structures by 0.02 A. Peak 3906 from cnoeabs.peaks (1.70, 4.06, 59.50 ppm; 3.39 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.1-3.4 3961=77, 3952/3902=69...(39) HD3 LYS 44 + HA LYS 44 OK 35 100 35 100 2.7-4.7 3954/3904=60...(55) HD2 LYS 40 - HA GLU 37 far 0 29 0 - 3.5-5.7 HD3 LYS 73 - HA GLU 69 far 0 59 0 - 4.5-8.5 HG3 LYS 39 - HA GLU 37 far 0 59 0 - 4.7-6.2 HD2 LYS 73 - HA GLU 69 far 0 63 0 - 5.1-8.7 HD3 LYS 43 - HA LYS 44 far 0 70 0 - 6.0-7.9 HG12 ILE 71 - HA GLU 69 far 0 87 0 - 6.1-6.5 HD3 LYS 39 - HA GLU 37 far 0 57 0 - 6.3-8.6 HD2 LYS 39 - HA GLU 37 far 0 56 0 - 6.6-8.5 HD2 LYS 40 - HA LYS 44 far 0 61 0 - 7.1-9.6 HG LEU 74 - HA GLU 69 far 0 92 0 - 8.0-8.7 HD3 LYS 44 - HA GLU 37 far 0 59 0 - 8.8-11.3 HD3 LYS 43 - HA GLU 37 far 0 34 0 - 8.9-11.0 HB ILE 54 - HA LYS 44 far 0 61 0 - 9.2-10.8 HD3 LYS 96 - HA GLU 69 far 0 56 0 - 9.4-15.2 HG3 LYS 39 - HA LYS 44 far 0 100 0 - 9.7-12.5 HD2 LYS 44 - HA GLU 37 far 0 59 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 3907 from cnoeabs.peaks (1.70, 4.06, 59.50 ppm; 3.39 A): 2 out of 14 assignments used, quality = 1.00: HD2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.1-3.4 3961=77, 3952/3902=69...(39) * HD3 LYS 44 + HA LYS 44 OK 35 100 35 100 2.7-4.7 3954/3904=60...(55) HD3 LYS 73 - HA GLU 69 far 0 52 0 - 4.5-8.5 HG3 LYS 39 - HA GLU 37 far 0 57 0 - 4.7-6.2 HD2 LYS 73 - HA GLU 69 far 0 56 0 - 5.1-8.7 HD3 LYS 43 - HA LYS 44 far 0 61 0 - 6.0-7.9 HG12 ILE 71 - HA GLU 69 far 0 84 0 - 6.1-6.5 HD3 LYS 39 - HA GLU 37 far 0 59 0 - 6.3-8.6 HD2 LYS 39 - HA GLU 37 far 0 58 0 - 6.6-8.5 HG LEU 74 - HA GLU 69 far 0 93 0 - 8.0-8.7 HD3 LYS 44 - HA GLU 37 far 0 59 0 - 8.8-11.3 HD3 LYS 43 - HA GLU 37 far 0 29 0 - 8.9-11.0 HG3 LYS 39 - HA LYS 44 far 0 99 0 - 9.7-12.5 HD2 LYS 44 - HA GLU 37 far 0 59 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 3908 from cnoeabs.peaks (2.93, 4.06, 59.50 ppm; 6.20 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 44 + HA LYS 44 OK 100 100 100 100 2.1-5.5 3.7/3904=98, 3.7/3905=94...(43) HE3 LYS 44 + HA LYS 44 OK 100 100 100 100 2.9-5.7 3.7/3904=98, 3.7/3905=94...(43) HE3 LYS 44 - HA GLU 37 far 0 59 0 - 7.2-12.0 HE2 LYS 65 - HA GLU 69 far 0 70 0 - 7.7-10.9 HD3 ARG 30 - HA LYS 44 far 0 100 0 - 7.7-11.9 HE3 LYS 65 - HA GLU 69 far 0 70 0 - 7.9-11.2 HE2 LYS 44 - HA GLU 37 far 0 59 0 - 8.0-10.9 HD3 ARG 30 - HA GLU 37 far 0 58 0 - 8.2-11.5 HE3 LYS 96 - HA GLU 69 far 0 93 0 - 8.7-16.0 HE2 LYS 96 - HA GLU 69 far 0 93 0 - 8.8-16.0 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (2.93, 4.06, 59.50 ppm; 5.09 A increased from 4.79 A): 2 out of 10 assignments used, quality = 1.00: HE2 LYS 44 + HA LYS 44 OK 95 100 95 100 2.1-5.5 3.7/3904=83, 3.7/3905=77...(43) * HE3 LYS 44 + HA LYS 44 OK 95 100 95 100 2.9-5.7 3.7/3904=83, 3.7/3905=77...(43) HE3 LYS 44 - HA GLU 37 far 0 59 0 - 7.2-12.0 HE2 LYS 65 - HA GLU 69 far 0 70 0 - 7.7-10.9 HD3 ARG 30 - HA LYS 44 far 0 100 0 - 7.7-11.9 HE3 LYS 65 - HA GLU 69 far 0 70 0 - 7.9-11.2 HE2 LYS 44 - HA GLU 37 far 0 59 0 - 8.0-10.9 HD3 ARG 30 - HA GLU 37 far 0 58 0 - 8.2-11.5 HE3 LYS 96 - HA GLU 69 far 0 93 0 - 8.7-16.0 HE2 LYS 96 - HA GLU 69 far 0 93 0 - 8.8-16.0 Violated in 0 structures by 0.00 A. Peak 3910 from cnoeabs.peaks (7.45, 1.91, 32.07 ppm; 3.16 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 44 + HB2 LYS 44 OK 99 100 100 99 2.2-2.6 1284=63, 1286/2.9=47...(18) H LYS 44 + HB2 LYS 43 OK 76 94 100 81 2.6-3.0 1888/1274=57, 253=38...(4) H LYS 44 - HB3 LYS 43 far 0 77 0 - 3.3-3.8 H LYS 44 - HB3 LYS 44 far 0 97 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 3911 from cnoeabs.peaks (4.06, 1.91, 32.07 ppm; 2.72 A): 2 out of 12 assignments used, quality = 0.99: HA LYS 44 + HB3 LYS 44 OK 97 97 100 99 2.3-2.5 3902=87, 3904/2.9=33...(30) HA LYS 96 + HB2 LYS 96 OK 80 81 100 99 2.6-2.7 6073=83, 3941/2.9=31...(31) ! HA LYS 44 - HB2 LYS 44 far 5 100 5 - 2.7-3.0 HA LYS 44 - HB3 LYS 43 far 0 77 0 - 4.1-4.5 HA LYS 44 - HB2 LYS 43 far 0 94 0 - 4.2-4.7 HA3 GLY 125 - HB3 LYS 123 far 0 72 0 - 6.8-7.1 HA GLU 91 - HB2 LYS 96 far 0 66 0 - 7.2-9.4 HA2 GLY 125 - HB3 LYS 123 far 0 63 0 - 7.5-7.7 HA GLU 37 - HB2 LYS 43 far 0 94 0 - 7.5-8.1 HA GLU 37 - HB2 LYS 44 far 0 100 0 - 8.3-9.8 HA GLU 37 - HB3 LYS 43 far 0 76 0 - 9.2-9.8 HA GLU 37 - HB3 LYS 44 far 0 97 0 - 9.9-11.0 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): 3 out of 11 assignments used, quality = 1.00: * HG2 LYS 44 + HB2 LYS 44 OK 100 100 100 100 2.6-2.7 2.9=88, 3954/3.7=37...(45) HG3 LYS 96 + HB2 LYS 96 OK 66 66 100 100 2.4-2.7 2.9=93, 4.0/6073=27...(26) HG2 LYS 123 + HB3 LYS 123 OK 60 67 90 100 2.3-3.0 2.9=88, 2.9/7120=42...(26) HG2 LYS 44 - HB3 LYS 44 far 0 97 0 - 3.0-3.0 HG2 LYS 44 - HB2 LYS 43 far 0 94 0 - 3.3-5.7 HG2 LYS 44 - HB3 LYS 43 far 0 77 0 - 4.1-6.4 HB3 LEU 70 - HB2 LYS 43 far 0 77 0 - 8.2-9.3 HB3 LEU 70 - HB3 LYS 43 far 0 60 0 - 8.7-9.8 HG LEU 68 - HB2 LYS 96 far 0 78 0 - 9.2-11.9 HG LEU 82 - HB2 LYS 96 far 0 54 0 - 9.3-10.2 HB3 LEU 70 - HB2 LYS 44 far 0 87 0 - 9.8-10.9 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 18 assignments used, quality = 1.00: * HG3 LYS 44 + HB2 LYS 44 OK 100 100 100 100 2.3-2.3 2.9=93, 3905/3.0=31...(44) HG3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.5-2.7 2.9=93, 2.9/3952=49...(29) HG2 LYS 96 + HB2 LYS 96 OK 82 82 100 100 2.3-2.5 2.9=97, 3941/3.0=34...(27) HG2 LYS 39 - HB2 LYS 43 far 0 53 0 - 4.3-8.4 HG3 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.0-6.2 HG2 LYS 39 - HB3 LYS 43 far 0 40 0 - 5.4-9.5 HG3 ARG 30 - HB2 LYS 44 far 0 81 0 - 5.5-9.1 HG3 LYS 44 - HB3 LYS 43 far 0 77 0 - 5.9-7.1 HG3 ARG 30 - HB3 LYS 44 far 0 75 0 - 6.4-9.8 HG12 ILE 56 - HB2 LYS 44 far 0 90 0 - 8.5-10.2 HG2 LYS 39 - HB2 LYS 44 far 0 61 0 - 8.8-11.4 HG3 ARG 30 - HB2 LYS 43 far 0 71 0 - 9.3-13.2 HB3 LEU 4 - HB2 LYS 44 far 0 100 0 - 9.4-11.5 HB3 LYS 61 - HB2 LYS 96 far 0 78 0 - 9.5-11.3 HG LEU 80 - HB2 LYS 96 far 0 82 0 - 9.5-10.3 HG LEU 4 - HB2 LYS 44 far 0 84 0 - 9.6-12.0 HG12 ILE 56 - HB3 LYS 44 far 0 84 0 - 9.7-11.4 HG2 LYS 39 - HB3 LYS 44 far 0 57 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 3916 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 2 out of 31 assignments used, quality = 0.98: HD2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.1-2.6 3952=100, 3951/3902=26...(51) HD3 LYS 43 + HB3 LYS 43 OK 24 46 55 93 2.1-3.6 3.8=33, 2.9/3824=16...(48) HG3 LYS 123 - HB3 LYS 123 far 7 72 10 - 2.6-3.0 HD3 LYS 43 - HB2 LYS 43 far 0 60 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 97 0 - 2.8-3.7 ! HD2 LYS 44 - HB2 LYS 44 far 0 100 0 - 3.4-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 47 0 - 3.5-4.2 HD3 LYS 44 - HB2 LYS 44 far 0 100 0 - 3.7-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 53 0 - 4.2-7.2 HD3 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.6-7.8 HD3 LYS 44 - HB3 LYS 43 far 0 76 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 40 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 77 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 94 0 - 5.4-8.4 HD2 LYS 40 - HB2 LYS 44 far 0 61 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 61 0 - 6.6-8.8 HG3 LYS 39 - HB3 LYS 43 far 0 76 0 - 6.7-9.7 HD3 LYS 39 - HB2 LYS 43 far 0 92 0 - 6.7-9.7 HD2 LYS 39 - HB2 LYS 43 far 0 91 0 - 6.9-10.0 HB ILE 54 - HB3 LYS 44 far 0 57 0 - 7.2-9.2 HD3 LYS 39 - HB3 LYS 43 far 0 75 0 - 7.5-10.6 HD2 LYS 40 - HB3 LYS 44 far 0 57 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 70 0 - 7.6-9.0 HD2 LYS 39 - HB3 LYS 43 far 0 74 0 - 7.8-11.0 HD3 LYS 43 - HB3 LYS 44 far 0 64 0 - 8.2-9.8 HG3 LYS 39 - HB2 LYS 44 far 0 100 0 - 9.3-11.4 HD3 LYS 73 - HB3 LYS 43 far 0 46 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 75 0 - 9.5-10.5 HG LEU 74 - HB2 LYS 43 far 0 93 0 - 9.8-10.7 HG12 ILE 71 - HB2 LYS 44 far 0 97 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3917 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 2 out of 24 assignments used, quality = 0.98: HD2 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.1-2.6 3952=100, 3951/3902=26...(51) HD3 LYS 43 + HB3 LYS 43 OK 20 40 55 93 2.1-3.6 3.8=33, 2.9/3824=16...(48) HG3 LYS 123 - HB3 LYS 123 far 7 71 10 - 2.6-3.0 HD3 LYS 43 - HB2 LYS 43 far 0 53 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 97 0 - 2.8-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 100 0 - 3.4-3.7 ! HD3 LYS 44 - HB2 LYS 44 far 0 100 0 - 3.7-4.2 HD3 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.6-7.8 HD3 LYS 44 - HB3 LYS 43 far 0 77 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 94 0 - 5.1-7.2 HD2 LYS 44 - HB3 LYS 43 far 0 76 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 92 0 - 5.4-8.4 HG3 LYS 39 - HB3 LYS 43 far 0 75 0 - 6.7-9.7 HD3 LYS 39 - HB2 LYS 43 far 0 94 0 - 6.7-9.7 HD2 LYS 39 - HB2 LYS 43 far 0 93 0 - 6.9-10.0 HD3 LYS 39 - HB3 LYS 43 far 0 76 0 - 7.5-10.6 HD3 LYS 43 - HB2 LYS 44 far 0 61 0 - 7.6-9.0 HD2 LYS 39 - HB3 LYS 43 far 0 75 0 - 7.8-11.0 HD3 LYS 43 - HB3 LYS 44 far 0 57 0 - 8.2-9.8 HG3 LYS 39 - HB2 LYS 44 far 0 99 0 - 9.3-11.4 HD3 LYS 73 - HB3 LYS 43 far 0 40 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 76 0 - 9.5-10.5 HG LEU 74 - HB2 LYS 43 far 0 94 0 - 9.8-10.7 HG12 ILE 71 - HB2 LYS 44 far 0 94 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3918 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.90 A increased from 3.67 A): 4 out of 16 assignments used, quality = 0.99: HE2 LYS 44 + HB3 LYS 44 OK 92 97 95 100 2.2-4.2 3.0/3952=81, 5.0=48...(40) HE3 LYS 44 + HB3 LYS 44 OK 63 97 65 100 2.0-4.6 3.0/3952=81, 5.0=48...(39) HE3 LYS 44 + HB2 LYS 44 OK 40 100 40 100 3.4-5.3 5.0=48, ~3953=47...(54) * HE2 LYS 44 + HB2 LYS 44 OK 35 100 35 100 3.4-4.6 5.0=48, ~3953=47...(55) HE3 LYS 65 - HB2 LYS 96 far 6 60 10 - 3.7-9.6 HE3 LYS 96 - HB2 LYS 96 far 4 83 5 - 3.7-5.5 HE2 LYS 96 - HB2 LYS 96 far 4 83 5 - 3.8-5.5 HE2 LYS 65 - HB2 LYS 96 far 3 60 5 - 3.8-9.6 HE3 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.0-9.2 HE3 LYS 44 - HB3 LYS 43 far 0 77 0 - 4.3-9.7 HE2 LYS 44 - HB3 LYS 43 far 0 77 0 - 4.7-9.0 HE2 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.8-8.3 HD3 ARG 30 - HB2 LYS 44 far 0 100 0 - 4.9-9.0 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 5.6-9.6 HE3 LYS 94 - HB2 LYS 96 far 0 63 0 - 7.1-10.6 HD3 ARG 30 - HB2 LYS 43 far 0 93 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3919 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.90 A increased from 3.67 A): 4 out of 16 assignments used, quality = 0.99: HE2 LYS 44 + HB3 LYS 44 OK 92 97 95 100 2.2-4.2 3.0/3952=81, 5.0=48...(40) HE3 LYS 44 + HB3 LYS 44 OK 63 97 65 100 2.0-4.6 3.0/3952=81, 5.0=48...(39) * HE3 LYS 44 + HB2 LYS 44 OK 40 100 40 100 3.4-5.3 5.0=48, ~3953=47...(54) HE2 LYS 44 + HB2 LYS 44 OK 35 100 35 100 3.4-4.6 5.0=48, ~3953=47...(55) HE3 LYS 65 - HB2 LYS 96 far 6 60 10 - 3.7-9.6 HE3 LYS 96 - HB2 LYS 96 far 4 83 5 - 3.7-5.5 HE2 LYS 96 - HB2 LYS 96 far 4 83 5 - 3.8-5.5 HE2 LYS 65 - HB2 LYS 96 far 3 60 5 - 3.8-9.6 HE3 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.0-9.2 HE3 LYS 44 - HB3 LYS 43 far 0 77 0 - 4.3-9.7 HE2 LYS 44 - HB3 LYS 43 far 0 77 0 - 4.7-9.0 HE2 LYS 44 - HB2 LYS 43 far 0 94 0 - 4.8-8.3 HD3 ARG 30 - HB2 LYS 44 far 0 100 0 - 4.9-9.0 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 5.6-9.6 HE3 LYS 94 - HB2 LYS 96 far 0 63 0 - 7.1-10.6 HD3 ARG 30 - HB2 LYS 43 far 0 93 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3920 from cnoeabs.peaks (7.45, 1.91, 32.07 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.99: H LYS 44 + HB2 LYS 44 OK 97 97 100 99 2.2-2.6 253=62, 1286/2.9=47...(18) H LYS 44 + HB2 LYS 43 OK 79 97 100 81 2.6-3.0 1888/1274=58, 254=39...(4) H LYS 44 - HB3 LYS 43 far 0 92 0 - 3.3-3.8 ! H LYS 44 - HB3 LYS 44 far 0 100 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (4.06, 1.91, 32.07 ppm; 2.72 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 44 + HB3 LYS 44 OK 99 100 100 99 2.3-2.5 3903=87, 3904/2.9=33...(30) HA LYS 96 + HB2 LYS 96 OK 96 96 100 100 2.6-2.7 6073=92, 3941/2.9=31...(31) HA LYS 44 - HB2 LYS 44 far 5 97 5 - 2.7-3.0 HA LYS 44 - HB3 LYS 43 far 0 92 0 - 4.1-4.5 HA LYS 44 - HB2 LYS 43 far 0 97 0 - 4.2-4.7 HA GLU 69 - HB2 LYS 73 far 0 71 0 - 5.6-7.3 HA3 GLY 125 - HB3 LYS 123 far 0 61 0 - 6.8-7.1 HA GLU 91 - HB2 LYS 96 far 0 82 0 - 7.2-9.4 HA GLU 69 - HB3 LYS 73 far 0 66 0 - 7.3-7.8 HA2 GLY 125 - HB3 LYS 123 far 0 53 0 - 7.5-7.7 HA GLU 37 - HB2 LYS 43 far 0 96 0 - 7.5-8.1 HA GLU 37 - HB2 LYS 44 far 0 97 0 - 8.3-9.8 HA GLU 37 - HB3 LYS 43 far 0 92 0 - 9.2-9.8 HA GLU 37 - HB3 LYS 44 far 0 100 0 - 9.9-11.0 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): 5 out of 15 assignments used, quality = 1.00: HG2 LYS 44 + HB2 LYS 44 OK 97 97 100 100 2.6-2.7 2.9=88, 3954/3.7=37...(45) HG3 LYS 96 + HB2 LYS 96 OK 81 82 100 100 2.4-2.7 2.9=93, 4.0/6073=29...(26) HG2 LYS 123 + HB3 LYS 123 OK 50 56 90 100 2.3-3.0 2.9=88, 2.9/7120=39...(26) HG2 LYS 73 + HB2 LYS 73 OK 46 51 90 100 2.2-2.9 2.9=96, 1480/1478=19...(54) HG2 LYS 73 + HB3 LYS 73 OK 35 47 75 99 2.4-3.0 2.9=96, 1480/4.0=19...(19) ! HG2 LYS 44 - HB3 LYS 44 far 0 100 0 - 3.0-3.0 HG2 LYS 44 - HB2 LYS 43 far 0 97 0 - 3.3-5.7 HG2 LYS 44 - HB3 LYS 43 far 0 92 0 - 4.1-6.4 HB3 LEU 70 - HB2 LYS 73 far 0 59 0 - 4.7-6.5 HB3 LEU 70 - HB3 LYS 73 far 0 55 0 - 6.3-7.1 HB3 LEU 70 - HB2 LYS 43 far 0 80 0 - 8.2-9.3 HB3 LEU 70 - HB3 LYS 43 far 0 75 0 - 8.7-9.8 HG LEU 68 - HB2 LYS 96 far 0 94 0 - 9.2-11.9 HG LEU 82 - HB2 LYS 96 far 0 68 0 - 9.3-10.2 HB3 LEU 70 - HB2 LYS 44 far 0 82 0 - 9.8-10.9 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 18 assignments used, quality = 1.00: * HG3 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.5-2.7 2.9=93, 2.9/3953=49...(29) HG3 LYS 44 + HB2 LYS 44 OK 97 97 100 100 2.3-2.3 2.9=93, 3905/3.0=31...(44) HG2 LYS 96 + HB2 LYS 96 OK 97 97 100 100 2.3-2.5 2.9=97, 6102/6073=35...(27) HG2 LYS 39 - HB2 LYS 43 far 0 56 0 - 4.3-8.4 HG3 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.0-6.2 HG2 LYS 39 - HB3 LYS 43 far 0 52 0 - 5.4-9.5 HG3 ARG 30 - HB2 LYS 44 far 0 75 0 - 5.5-9.1 HG3 LYS 44 - HB3 LYS 43 far 0 92 0 - 5.9-7.1 HG3 ARG 30 - HB3 LYS 44 far 0 81 0 - 6.4-9.8 HG12 ILE 56 - HB2 LYS 44 far 0 84 0 - 8.5-10.2 HG2 LYS 39 - HB2 LYS 44 far 0 57 0 - 8.8-11.4 HG3 ARG 30 - HB2 LYS 43 far 0 74 0 - 9.3-13.2 HB3 LEU 4 - HB2 LYS 44 far 0 97 0 - 9.4-11.5 HB3 LYS 61 - HB2 LYS 96 far 0 94 0 - 9.5-11.3 HG LEU 80 - HB2 LYS 96 far 0 97 0 - 9.5-10.3 HG LEU 4 - HB2 LYS 44 far 0 78 0 - 9.6-12.0 HG12 ILE 56 - HB3 LYS 44 far 0 90 0 - 9.7-11.4 HG2 LYS 39 - HB3 LYS 44 far 0 61 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 3926 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 3 out of 40 assignments used, quality = 1.00: * HD2 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.1-2.6 3953=100, 3951/3903=26...(51) HD3 LYS 43 + HB3 LYS 43 OK 30 59 55 94 2.1-3.6 3.8=33, 2.9/3824=17...(48) HD2 LYS 73 + HB3 LYS 73 OK 28 44 70 92 2.1-3.1 3.8=33, 5174/3.0=17...(34) HG3 LYS 123 - HB3 LYS 123 far 6 61 10 - 2.6-3.0 HD3 LYS 73 - HB3 LYS 73 far 4 41 10 - 2.6-3.8 HD3 LYS 43 - HB2 LYS 43 far 0 63 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 100 0 - 2.8-3.7 HG LEU 74 - HB2 LYS 73 far 0 74 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 45 0 - 3.0-4.2 HD2 LYS 73 - HB2 LYS 73 far 0 48 0 - 3.3-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 97 0 - 3.4-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 61 0 - 3.5-4.2 HD3 LYS 44 - HB2 LYS 44 far 0 97 0 - 3.7-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 56 0 - 4.2-7.2 HG LEU 74 - HB3 LYS 73 far 0 69 0 - 4.3-5.6 HD3 LYS 44 - HB2 LYS 43 far 0 96 0 - 4.6-7.8 HD3 LYS 44 - HB3 LYS 43 far 0 92 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 97 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 52 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 92 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 96 0 - 5.4-8.4 HD2 LYS 40 - HB2 LYS 44 far 0 57 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 57 0 - 6.6-8.8 HG3 LYS 39 - HB3 LYS 43 far 0 92 0 - 6.7-9.7 HD3 LYS 39 - HB2 LYS 43 far 0 95 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 69 0 - 6.8-8.3 HD2 LYS 39 - HB2 LYS 43 far 0 94 0 - 6.9-10.0 HB ILE 54 - HB3 LYS 44 far 0 61 0 - 7.2-9.2 HD3 LYS 39 - HB3 LYS 43 far 0 91 0 - 7.5-10.6 HD2 LYS 40 - HB3 LYS 44 far 0 61 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 64 0 - 7.6-9.0 HD2 LYS 39 - HB3 LYS 43 far 0 89 0 - 7.8-11.0 HD3 LYS 43 - HB3 LYS 44 far 0 70 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 65 0 - 8.5-9.2 HG3 LYS 39 - HB2 LYS 44 far 0 97 0 - 9.3-11.4 HD3 LYS 43 - HB2 LYS 73 far 0 45 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 59 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 91 0 - 9.5-10.5 HG LEU 74 - HB2 LYS 43 far 0 96 0 - 9.8-10.7 HG12 ILE 71 - HB2 LYS 44 far 0 93 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3927 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 3 out of 33 assignments used, quality = 1.00: HD2 LYS 44 + HB3 LYS 44 OK 100 100 100 100 2.1-2.6 3953=100, 3951/3903=26...(51) HD3 LYS 43 + HB3 LYS 43 OK 27 52 55 94 2.1-3.6 3.8=33, 2.9/3824=17...(48) HD2 LYS 73 + HB3 LYS 73 OK 25 39 70 91 2.1-3.1 3.8=33, 5174/3.0=15...(34) HG3 LYS 123 - HB3 LYS 123 far 6 60 10 - 2.6-3.0 HD3 LYS 73 - HB3 LYS 73 far 4 36 10 - 2.6-3.8 HD3 LYS 43 - HB2 LYS 43 far 0 56 0 - 2.8-4.2 ! HD3 LYS 44 - HB3 LYS 44 far 0 100 0 - 2.8-3.7 HG LEU 74 - HB2 LYS 73 far 0 75 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 39 0 - 3.0-4.2 HD2 LYS 73 - HB2 LYS 73 far 0 42 0 - 3.3-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 97 0 - 3.4-3.7 HD3 LYS 44 - HB2 LYS 44 far 0 97 0 - 3.7-4.2 HG LEU 74 - HB3 LYS 73 far 0 70 0 - 4.3-5.6 HD3 LYS 44 - HB2 LYS 43 far 0 97 0 - 4.6-7.8 HD3 LYS 44 - HB3 LYS 43 far 0 92 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 96 0 - 5.1-7.2 HD2 LYS 44 - HB3 LYS 43 far 0 92 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 95 0 - 5.4-8.4 HG3 LYS 39 - HB3 LYS 43 far 0 91 0 - 6.7-9.7 HD3 LYS 39 - HB2 LYS 43 far 0 96 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 66 0 - 6.8-8.3 HD2 LYS 39 - HB2 LYS 43 far 0 96 0 - 6.9-10.0 HD3 LYS 39 - HB3 LYS 43 far 0 92 0 - 7.5-10.6 HD3 LYS 43 - HB2 LYS 44 far 0 57 0 - 7.6-9.0 HD2 LYS 39 - HB3 LYS 43 far 0 91 0 - 7.8-11.0 HD3 LYS 43 - HB3 LYS 44 far 0 61 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 61 0 - 8.5-9.2 HG3 LYS 39 - HB2 LYS 44 far 0 96 0 - 9.3-11.4 HD3 LYS 43 - HB2 LYS 73 far 0 39 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 52 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 92 0 - 9.5-10.5 HG LEU 74 - HB2 LYS 43 far 0 97 0 - 9.8-10.7 HG12 ILE 71 - HB2 LYS 44 far 0 89 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3928 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.90 A increased from 3.67 A): 4 out of 16 assignments used, quality = 0.99: * HE2 LYS 44 + HB3 LYS 44 OK 95 100 95 100 2.2-4.2 3.0/3953=81, 5.0=48...(40) HE3 LYS 44 + HB3 LYS 44 OK 65 100 65 100 2.0-4.6 3.0/3953=81, 5.0=48...(39) HE3 LYS 44 + HB2 LYS 44 OK 39 97 40 100 3.4-5.3 5.0=48, ~3953=47...(54) HE2 LYS 44 + HB2 LYS 44 OK 34 97 35 100 3.4-4.6 5.0=48, ~3953=47...(55) HE3 LYS 65 - HB2 LYS 96 far 8 75 10 - 3.7-9.6 HE3 LYS 96 - HB2 LYS 96 far 5 97 5 - 3.7-5.5 HE2 LYS 96 - HB2 LYS 96 far 5 97 5 - 3.8-5.5 HE2 LYS 65 - HB2 LYS 96 far 4 75 5 - 3.8-9.6 HE3 LYS 44 - HB2 LYS 43 far 0 97 0 - 4.0-9.2 HE3 LYS 44 - HB3 LYS 43 far 0 92 0 - 4.3-9.7 HE2 LYS 44 - HB3 LYS 43 far 0 92 0 - 4.7-9.0 HE2 LYS 44 - HB2 LYS 43 far 0 97 0 - 4.8-8.3 HD3 ARG 30 - HB2 LYS 44 far 0 97 0 - 4.9-9.0 HD3 ARG 30 - HB3 LYS 44 far 0 100 0 - 5.6-9.6 HE3 LYS 94 - HB2 LYS 96 far 0 78 0 - 7.1-10.6 HD3 ARG 30 - HB2 LYS 43 far 0 96 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3929 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.90 A increased from 3.67 A): 4 out of 16 assignments used, quality = 0.99: HE2 LYS 44 + HB3 LYS 44 OK 95 100 95 100 2.2-4.2 3.0/3953=81, 5.0=48...(40) * HE3 LYS 44 + HB3 LYS 44 OK 65 100 65 100 2.0-4.6 3.0/3953=81, 5.0=48...(39) HE3 LYS 44 + HB2 LYS 44 OK 39 97 40 100 3.4-5.3 5.0=48, ~3953=47...(54) HE2 LYS 44 + HB2 LYS 44 OK 34 97 35 100 3.4-4.6 5.0=48, ~3953=47...(55) HE3 LYS 65 - HB2 LYS 96 far 8 75 10 - 3.7-9.6 HE3 LYS 96 - HB2 LYS 96 far 5 97 5 - 3.7-5.5 HE2 LYS 96 - HB2 LYS 96 far 5 97 5 - 3.8-5.5 HE2 LYS 65 - HB2 LYS 96 far 4 75 5 - 3.8-9.6 HE3 LYS 44 - HB2 LYS 43 far 0 97 0 - 4.0-9.2 HE3 LYS 44 - HB3 LYS 43 far 0 92 0 - 4.3-9.7 HE2 LYS 44 - HB3 LYS 43 far 0 92 0 - 4.7-9.0 HE2 LYS 44 - HB2 LYS 43 far 0 97 0 - 4.8-8.3 HD3 ARG 30 - HB2 LYS 44 far 0 97 0 - 4.9-9.0 HD3 ARG 30 - HB3 LYS 44 far 0 100 0 - 5.6-9.6 HE3 LYS 94 - HB2 LYS 96 far 0 78 0 - 7.1-10.6 HD3 ARG 30 - HB2 LYS 43 far 0 96 0 - 9.0-13.2 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 2.0-3.0 1286=100, 1287/1.8=77...(21) 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 5 assignments used, quality = 1.00: * HA LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.6-3.6 3904=100, 3902/2.9=73...(43) HA LYS 96 + HG3 LYS 96 OK 71 71 100 100 2.2-3.6 4.0=84, 3941/1.8=76...(27) HA GLU 69 - HG2 LYS 73 far 0 54 0 - 4.5-6.5 HA GLU 37 - HG2 LYS 44 far 0 100 0 - 7.7-9.5 HA GLU 91 - HG3 LYS 96 far 0 57 0 - 8.5-10.2 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 12 assignments used, quality = 1.00: * HB2 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.6-2.7 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 99 99 100 100 3.0-3.0 2.9=100 HB2 LYS 96 + HG3 LYS 96 OK 62 62 100 100 2.4-2.7 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 35 35 100 100 2.2-2.9 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 33 33 100 100 2.4-3.0 2.9=100 HB2 LYS 43 - HG2 LYS 44 far 0 99 0 - 3.3-5.7 HB3 LYS 43 - HG2 LYS 44 far 0 92 0 - 4.1-6.4 HB2 LEU 45 - HG2 LYS 44 far 0 97 0 - 4.5-7.2 HB2 ARG 95 - HG3 LYS 96 far 0 52 0 - 5.5-7.7 HB2 LYS 49 - HG2 LYS 44 far 0 87 0 - 5.7-13.9 HB ILE 71 - HG2 LYS 73 far 0 37 0 - 6.1-8.1 HB2 LEU 45 - HG2 LYS 73 far 0 52 0 - 9.0-11.3 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 12 assignments used, quality = 1.00: * HB3 LYS 44 + HG2 LYS 44 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 99 99 100 100 2.6-2.7 2.9=100 HB2 LYS 96 + HG3 LYS 96 OK 70 70 100 100 2.4-2.7 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 46 46 100 100 2.2-2.9 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 44 44 100 100 2.4-3.0 2.9=100 HB2 LYS 43 - HG2 LYS 44 far 0 100 0 - 3.3-5.7 HB3 LYS 43 - HG2 LYS 44 far 0 99 0 - 4.1-6.4 HB2 LEU 45 - HG2 LYS 44 far 0 100 0 - 4.5-7.2 HB2 ARG 95 - HG3 LYS 96 far 0 64 0 - 5.5-7.7 HB2 LYS 49 - HG2 LYS 44 far 0 97 0 - 5.7-13.9 HB ILE 71 - HG2 LYS 73 far 0 48 0 - 6.1-8.1 HB2 LEU 45 - HG2 LYS 73 far 0 57 0 - 9.0-11.3 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 9 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 HG3 ARG 30 - HG2 LYS 44 far 0 81 0 - 5.8-10.8 HG2 LYS 39 - HG2 LYS 44 far 0 61 0 - 7.2-11.4 HG12 ILE 56 - HG2 LYS 44 far 0 90 0 - 8.4-12.1 HB3 LEU 4 - HG2 LYS 44 far 0 100 0 - 9.2-13.1 HB3 LYS 61 - HG3 LYS 96 far 0 69 0 - 9.3-12.6 HG LEU 4 - HG2 LYS 44 far 0 84 0 - 9.4-13.5 HG2 LYS 39 - HG2 LYS 73 far 0 28 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (1.70, 1.58, 24.91 ppm; 2.65 A): 3 out of 14 assignments used, quality = 0.99: HD3 LYS 44 + HG2 LYS 44 OK 95 100 95 100 2.3-3.0 3954=100, ~3953=18...(55) * HD2 LYS 44 + HG2 LYS 44 OK 65 100 65 99 2.5-3.0 2.9=73, 1.8/3954=71...(39) HD3 LYS 73 + HG2 LYS 73 OK 24 33 75 99 2.3-3.0 3.0=72, 5169/1.8=23...(67) HD3 LYS 96 - HG3 LYS 96 poor 18 41 45 - 2.2-3.0 HD2 LYS 73 - HG2 LYS 73 poor 9 35 25 - 2.5-3.0 HG LEU 74 - HG2 LYS 73 far 0 56 0 - 4.0-5.9 HD2 LYS 40 - HG2 LYS 44 far 0 61 0 - 4.7-8.8 HD3 LYS 43 - HG2 LYS 44 far 0 70 0 - 5.8-8.2 HG12 ILE 71 - HG2 LYS 73 far 0 52 0 - 6.3-8.3 HB ILE 54 - HG2 LYS 44 far 0 61 0 - 6.4-10.9 HG3 LYS 39 - HG2 LYS 44 far 0 100 0 - 7.8-11.2 HD3 LYS 43 - HG2 LYS 73 far 0 33 0 - 8.5-13.0 HD3 LYS 39 - HG2 LYS 44 far 0 99 0 - 9.2-12.5 HG LEU 74 - HG2 LYS 44 far 0 100 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 3937 from cnoeabs.peaks (1.70, 1.58, 24.91 ppm; 2.65 A): 3 out of 11 assignments used, quality = 0.99: * HD3 LYS 44 + HG2 LYS 44 OK 95 100 95 100 2.3-3.0 3954=100, ~3953=18...(55) HD2 LYS 44 + HG2 LYS 44 OK 65 100 65 99 2.5-3.0 2.9=73, 1.8/3954=71...(39) HD3 LYS 73 + HG2 LYS 73 OK 21 28 75 99 2.3-3.0 3.0=72, 5169/1.8=19...(67) HD2 LYS 73 - HG2 LYS 73 poor 8 31 25 - 2.5-3.0 HG LEU 74 - HG2 LYS 73 far 0 57 0 - 4.0-5.9 HD3 LYS 43 - HG2 LYS 44 far 0 61 0 - 5.8-8.2 HG12 ILE 71 - HG2 LYS 73 far 0 49 0 - 6.3-8.3 HG3 LYS 39 - HG2 LYS 44 far 0 99 0 - 7.8-11.2 HD3 LYS 43 - HG2 LYS 73 far 0 28 0 - 8.5-13.0 HD3 LYS 39 - HG2 LYS 44 far 0 100 0 - 9.2-12.5 HG LEU 74 - HG2 LYS 44 far 0 100 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 3938 from cnoeabs.peaks (2.93, 1.58, 24.91 ppm; 3.76 A increased from 3.54 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=100 HE2 LYS 96 + HG3 LYS 96 OK 73 73 100 100 2.2-3.8 3.8=97, 6129/3.0=22...(33) HE3 LYS 96 + HG3 LYS 96 OK 55 73 75 100 2.1-4.2 3.8=97, 6129/3.0=23...(33) HE3 LYS 44 + HG2 LYS 44 OK 55 100 55 100 2.2-4.2 3.7=100 HE3 LYS 65 - HG3 LYS 96 far 0 52 0 - 4.7-9.1 HE2 LYS 65 - HG3 LYS 96 far 0 52 0 - 5.1-9.8 HD3 ARG 30 - HG2 LYS 44 far 0 100 0 - 6.3-10.6 HE3 LYS 94 - HG3 LYS 96 far 0 55 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 3939 from cnoeabs.peaks (2.93, 1.58, 24.91 ppm; 3.76 A increased from 3.54 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 44 + HG2 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=100 HE2 LYS 96 + HG3 LYS 96 OK 73 73 100 100 2.2-3.8 3.8=97, 6129/3.0=22...(33) HE3 LYS 96 + HG3 LYS 96 OK 55 73 75 100 2.1-4.2 3.8=97, 6129/3.0=23...(33) * HE3 LYS 44 + HG2 LYS 44 OK 55 100 55 100 2.2-4.2 3.7=100 HE3 LYS 65 - HG3 LYS 96 far 0 52 0 - 4.7-9.1 HE2 LYS 65 - HG3 LYS 96 far 0 52 0 - 5.1-9.8 HD3 ARG 30 - HG2 LYS 44 far 0 100 0 - 6.3-10.6 HE3 LYS 94 - HG3 LYS 96 far 0 55 0 - 9.2-11.4 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 3.2-3.7 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; 3.65 A increased from 3.43 A): 1 out of 4 assignments used, quality = 0.99: HA LYS 96 + HG2 LYS 96 OK 99 99 100 100 2.3-3.5 6075=97, 6073/2.9=72...(28) ! HA LYS 44 - HG3 LYS 44 far 0 100 0 - 3.7-4.2 HA GLU 37 - HG3 LYS 44 far 0 100 0 - 7.5-8.8 HA GLU 91 - HG2 LYS 96 far 0 86 0 - 9.3-10.0 Violated in 0 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 2.3-2.3 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 99 99 100 100 2.5-2.7 2.9=100 HB2 LYS 96 + HG2 LYS 96 OK 91 91 100 100 2.3-2.5 2.9=100 HB2 LYS 43 - HG3 LYS 44 far 0 99 0 - 5.0-6.2 HB2 ARG 95 - HG2 LYS 96 far 0 80 0 - 5.4-8.0 HB3 LYS 43 - HG3 LYS 44 far 0 92 0 - 5.9-7.1 HB2 LYS 49 - HG3 LYS 44 far 0 87 0 - 5.9-14.2 HB2 LEU 45 - HG3 LYS 44 far 0 97 0 - 6.2-7.6 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 2.5-2.7 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 99 99 100 100 2.3-2.3 2.9=100 HB2 LYS 96 + HG2 LYS 96 OK 98 98 100 100 2.3-2.5 2.9=100 HB2 LYS 43 - HG3 LYS 44 far 0 100 0 - 5.0-6.2 HB2 ARG 95 - HG2 LYS 96 far 0 93 0 - 5.4-8.0 HB3 LYS 43 - HG3 LYS 44 far 0 99 0 - 5.9-7.1 HB2 LYS 49 - HG3 LYS 44 far 0 97 0 - 5.9-14.2 HB2 LEU 45 - HG3 LYS 44 far 0 100 0 - 6.2-7.6 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 2 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 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; 2.97 A increased from 2.80 A): 3 out of 7 assignments used, quality = 1.00: * HD2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=100 HD3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 96 + HG2 LYS 96 OK 65 65 100 100 2.3-3.0 3.0=100 HD2 LYS 40 - HG3 LYS 44 far 0 61 0 - 5.4-8.0 HB ILE 54 - HG3 LYS 44 far 0 61 0 - 6.7-10.0 HD3 LYS 43 - HG3 LYS 44 far 0 70 0 - 7.5-9.3 HG3 LYS 39 - HG3 LYS 44 far 0 100 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 3947 from cnoeabs.peaks (1.70, 1.44, 24.91 ppm; 2.97 A increased from 2.80 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 44 + HG3 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=100 HD3 LYS 43 - HG3 LYS 44 far 0 61 0 - 7.5-9.3 HG3 LYS 39 - HG3 LYS 44 far 0 99 0 - 8.5-11.5 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: * HE2 LYS 44 + HG3 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=82, ~3954=38...(45) HE3 LYS 96 + HG2 LYS 96 OK 94 100 95 100 2.2-3.7 3.8=79, 6130/3.0=21...(31) HE3 LYS 44 + HG3 LYS 44 OK 90 100 90 100 2.4-3.6 3.7=82, ~3954=38...(45) HE2 LYS 96 + HG2 LYS 96 OK 65 100 65 100 2.1-4.0 3.8=79, 6146/1.8=21...(31) HD3 ARG 30 - HG3 LYS 44 far 0 100 0 - 4.7-9.0 HE3 LYS 65 - HG2 LYS 96 far 0 80 0 - 4.9-9.1 HE2 LYS 65 - HG2 LYS 96 far 0 80 0 - 5.0-9.7 HE3 LYS 94 - HG2 LYS 96 far 0 83 0 - 9.4-11.6 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: HE2 LYS 44 + HG3 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=82, ~3954=38...(45) HE3 LYS 96 + HG2 LYS 96 OK 94 100 95 100 2.2-3.7 3.8=79, 6130/3.0=21...(31) * HE3 LYS 44 + HG3 LYS 44 OK 90 100 90 100 2.4-3.6 3.7=82, ~3954=38...(45) HE2 LYS 96 + HG2 LYS 96 OK 65 100 65 100 2.1-4.0 3.8=79, 6146/1.8=21...(31) HD3 ARG 30 - HG3 LYS 44 far 0 100 0 - 4.7-9.0 HE3 LYS 65 - HG2 LYS 96 far 0 80 0 - 4.9-9.1 HE2 LYS 65 - HG2 LYS 96 far 0 80 0 - 5.0-9.7 HE3 LYS 94 - HG2 LYS 96 far 0 83 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 3950 from cnoeabs.peaks (7.45, 1.70, 29.13 ppm; 4.86 A increased from 4.32 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 44 + HD2 LYS 44 OK 100 100 100 100 4.0-4.7 1286/2.9=90, 4.0/3952=84...(23) H LYS 44 + HD3 LYS 44 OK 95 100 95 100 3.9-5.1 1286/3954=96...(22) H LYS 44 - HD3 LYS 39 far 0 85 0 - 9.0-11.3 H LYS 44 - HD2 LYS 39 far 0 83 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 3951 from cnoeabs.peaks (4.06, 1.70, 29.13 ppm; 3.29 A): 2 out of 8 assignments used, quality = 0.96: * HA LYS 44 + HD2 LYS 44 OK 95 100 95 100 2.1-3.4 3906=68, 3903/3953=65...(39) HA LYS 44 + HD3 LYS 44 OK 30 100 30 100 2.7-4.7 3904/3954=57...(55) HA SER 35 - HD2 LYS 39 far 0 57 0 - 4.8-7.0 HA SER 35 - HD3 LYS 39 far 0 59 0 - 5.3-7.3 HA GLU 37 - HD3 LYS 39 far 0 84 0 - 6.3-8.6 HA GLU 37 - HD2 LYS 39 far 0 82 0 - 6.6-8.5 HA GLU 37 - HD3 LYS 44 far 0 100 0 - 8.8-11.3 HA GLU 37 - HD2 LYS 44 far 0 100 0 - 9.8-11.5 Violated in 1 structures by 0.00 A. Peak 3952 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.63 A): 1 out of 20 assignments used, quality = 0.99: HB3 LYS 44 + HD2 LYS 44 OK 99 99 100 100 2.1-2.6 7092=97, 3902/3951=25...(51) HB ILE 15 - HD2 LYS 16 far 3 51 5 - 2.5-6.6 HB3 LYS 44 - HD3 LYS 44 far 0 98 0 - 2.8-3.7 ! HB2 LYS 44 - HD2 LYS 44 far 0 100 0 - 3.4-3.7 HB2 LYS 49 - HD2 LYS 44 far 0 87 0 - 3.7-12.6 HB2 LYS 44 - HD3 LYS 44 far 0 100 0 - 3.7-4.2 HB ILE 15 - HD3 LYS 16 far 0 66 0 - 3.8-6.7 HB3 LYS 17 - HD3 LYS 16 far 0 55 0 - 3.9-6.9 HB2 LYS 49 - HD3 LYS 44 far 0 86 0 - 4.4-14.3 HB3 LYS 17 - HD2 LYS 16 far 0 42 0 - 4.6-6.4 HB2 LYS 43 - HD3 LYS 44 far 0 99 0 - 4.6-7.8 HB3 LYS 43 - HD3 LYS 44 far 0 91 0 - 5.1-8.3 HB2 LYS 43 - HD2 LYS 44 far 0 99 0 - 5.1-7.2 HB3 LYS 43 - HD2 LYS 44 far 0 92 0 - 5.3-7.4 HB2 LEU 45 - HD3 LYS 44 far 0 96 0 - 5.4-9.2 HB2 LEU 45 - HD2 LYS 44 far 0 97 0 - 5.9-8.4 HB2 LYS 43 - HD3 LYS 39 far 0 83 0 - 6.7-9.7 HB2 LYS 43 - HD2 LYS 39 far 0 81 0 - 6.9-10.0 HB3 LYS 43 - HD3 LYS 39 far 0 73 0 - 7.5-10.6 HB3 LYS 43 - HD2 LYS 39 far 0 71 0 - 7.8-11.0 Violated in 0 structures by 0.00 A. Peak 3953 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.63 A): 1 out of 24 assignments used, quality = 1.00: * HB3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.1-2.6 7092=91, 3903/3951=25...(51) HB ILE 15 - HD2 LYS 16 far 2 45 5 - 2.5-6.6 HB3 LYS 44 - HD3 LYS 44 far 0 100 0 - 2.8-3.7 HB2 LYS 44 - HD2 LYS 44 far 0 99 0 - 3.4-3.7 HB2 LYS 49 - HD2 LYS 44 far 0 97 0 - 3.7-12.6 HB2 LYS 44 - HD3 LYS 44 far 0 98 0 - 3.7-4.2 HB ILE 15 - HD3 LYS 16 far 0 59 0 - 3.8-6.7 HB3 LYS 17 - HD3 LYS 16 far 0 42 0 - 3.9-6.9 HB2 LYS 49 - HD3 LYS 44 far 0 96 0 - 4.4-14.3 HB3 LYS 17 - HD2 LYS 16 far 0 32 0 - 4.6-6.4 HB2 LYS 43 - HD3 LYS 44 far 0 100 0 - 4.6-7.8 HB3 LYS 43 - HD3 LYS 44 far 0 98 0 - 5.1-8.3 HB2 LYS 43 - HD2 LYS 44 far 0 100 0 - 5.1-7.2 HB3 LYS 43 - HD2 LYS 44 far 0 99 0 - 5.3-7.4 HB2 LEU 45 - HD3 LYS 44 far 0 100 0 - 5.4-9.2 HB2 LYS 20 - HD2 LYS 16 far 0 32 0 - 5.8-10.0 HB2 LEU 45 - HD2 LYS 44 far 0 100 0 - 5.9-8.4 HB3 LYS 20 - HD2 LYS 16 far 0 32 0 - 6.5-10.7 HB2 LYS 43 - HD3 LYS 39 far 0 85 0 - 6.7-9.7 HB2 LYS 20 - HD3 LYS 16 far 0 42 0 - 6.9-10.5 HB2 LYS 43 - HD2 LYS 39 far 0 83 0 - 6.9-10.0 HB3 LYS 43 - HD3 LYS 39 far 0 82 0 - 7.5-10.6 HB3 LYS 20 - HD3 LYS 16 far 0 42 0 - 7.8-11.3 HB3 LYS 43 - HD2 LYS 39 far 0 80 0 - 7.8-11.0 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (1.58, 1.70, 29.13 ppm; 2.40 A): 1 out of 11 assignments used, quality = 0.87: HG2 LYS 44 + HD3 LYS 44 OK 87 100 90 97 2.3-3.0 2.9=54, 3937/1.8=19...(52) ! HG2 LYS 44 - HD2 LYS 44 far 0 100 0 - 2.5-3.0 HD2 LYS 19 - HD2 LYS 16 far 0 40 0 - 4.8-8.9 HD3 LYS 19 - HD2 LYS 16 far 0 40 0 - 6.2-8.2 HD2 LYS 19 - HD3 LYS 16 far 0 52 0 - 6.3-9.4 HG3 LYS 19 - HD2 LYS 16 far 0 36 0 - 6.8-8.6 HD3 LYS 19 - HD3 LYS 16 far 0 52 0 - 6.9-9.2 HG3 LYS 19 - HD3 LYS 16 far 0 48 0 - 7.8-9.0 HB3 LEU 70 - HD2 LYS 39 far 0 66 0 - 8.1-10.6 HB3 LEU 70 - HD3 LYS 39 far 0 68 0 - 8.5-11.2 HG2 LYS 44 - HD3 LYS 39 far 0 85 0 - 9.2-12.5 Violated in 2 structures by 0.04 A. Peak 3955 from cnoeabs.peaks (1.44, 1.70, 29.13 ppm; 3.13 A increased from 2.64 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HD3 LYS 39 OK 46 46 100 100 2.3-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 44 44 100 100 2.4-3.0 3.0=100 HG3 LYS 17 - HD3 LYS 16 far 3 59 5 - 2.8-6.6 HG3 LYS 17 - HD2 LYS 16 far 0 45 0 - 3.8-7.1 HG3 ARG 30 - HD3 LYS 44 far 0 80 0 - 5.7-11.2 HG3 ARG 30 - HD2 LYS 44 far 0 81 0 - 6.9-11.7 HG12 ILE 56 - HD3 LYS 44 far 0 89 0 - 8.5-13.9 HG2 LYS 39 - HD3 LYS 44 far 0 61 0 - 8.7-13.6 HB3 LEU 63 - HD2 LYS 39 far 0 66 0 - 8.8-11.1 HB3 LEU 4 - HD3 LYS 44 far 0 100 0 - 8.8-14.6 HG LEU 4 - HD3 LYS 44 far 0 83 0 - 9.0-15.0 HB3 LEU 63 - HD3 LYS 39 far 0 68 0 - 9.4-12.0 HG2 LYS 39 - HD2 LYS 44 far 0 61 0 - 9.6-13.8 HB2 LEU 4 - HD3 LYS 44 far 0 100 0 - 10.0-15.7 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; 3.06 A increased from 2.72 A): 4 out of 7 assignments used, quality = 1.00: HE3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HD3 LYS 44 far 0 99 0 - 6.4-11.6 HD3 ARG 30 - HD2 LYS 44 far 0 100 0 - 6.7-10.8 HE3 LYS 44 - HD3 LYS 39 far 0 85 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3959 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 3.06 A increased from 2.72 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HD3 LYS 44 far 0 99 0 - 6.4-11.6 HD3 ARG 30 - HD2 LYS 44 far 0 100 0 - 6.7-10.8 HE3 LYS 44 - HD3 LYS 39 far 0 85 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3960 from cnoeabs.peaks (7.45, 1.70, 29.13 ppm; 4.64 A increased from 4.37 A): 2 out of 4 assignments used, quality = 1.00: H LYS 44 + HD2 LYS 44 OK 100 100 100 100 4.0-4.7 1286/2.9=87, 4.0/3952=79...(23) * H LYS 44 + HD3 LYS 44 OK 85 100 85 100 3.9-5.1 1286/3954=93...(22) H LYS 44 - HD3 LYS 39 far 0 87 0 - 9.0-11.3 H LYS 44 - HD2 LYS 39 far 0 86 0 - 9.5-11.6 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 8 assignments used, quality = 1.00: HA LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.1-3.4 3907=70, 3903/3953=66...(39) * HA LYS 44 + HD3 LYS 44 OK 30 100 30 100 2.7-4.7 3904/3954=58...(55) HA SER 35 - HD2 LYS 39 far 0 60 0 - 4.8-7.0 HA SER 35 - HD3 LYS 39 far 0 61 0 - 5.3-7.3 HA GLU 37 - HD3 LYS 39 far 0 87 0 - 6.3-8.6 HA GLU 37 - HD2 LYS 39 far 0 86 0 - 6.6-8.5 HA GLU 37 - HD3 LYS 44 far 0 100 0 - 8.8-11.3 HA GLU 37 - HD2 LYS 44 far 0 100 0 - 9.8-11.5 Violated in 1 structures by 0.00 A. Peak 3962 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.71 A): 1 out of 18 assignments used, quality = 0.98: HB3 LYS 44 + HD2 LYS 44 OK 98 98 100 100 2.1-2.6 7092=99, 3902/3961=27...(56) HB3 LYS 44 - HD3 LYS 44 far 5 99 5 - 2.8-3.7 HB2 LYS 44 - HD2 LYS 44 far 0 100 0 - 3.4-3.7 HB2 LYS 49 - HD2 LYS 44 far 0 86 0 - 3.7-12.6 ! HB2 LYS 44 - HD3 LYS 44 far 0 100 0 - 3.7-4.2 HB ILE 15 - HD3 LYS 16 far 0 56 0 - 3.8-6.7 HB3 LYS 17 - HD3 LYS 16 far 0 46 0 - 3.9-6.9 HB2 LYS 49 - HD3 LYS 44 far 0 87 0 - 4.4-14.3 HB2 LYS 43 - HD3 LYS 44 far 0 99 0 - 4.6-7.8 HB3 LYS 43 - HD3 LYS 44 far 0 92 0 - 5.1-8.3 HB2 LYS 43 - HD2 LYS 44 far 0 99 0 - 5.1-7.2 HB3 LYS 43 - HD2 LYS 44 far 0 91 0 - 5.3-7.4 HB2 LEU 45 - HD3 LYS 44 far 0 97 0 - 5.4-9.2 HB2 LEU 45 - HD2 LYS 44 far 0 96 0 - 5.9-8.4 HB2 LYS 43 - HD3 LYS 39 far 0 85 0 - 6.7-9.7 HB2 LYS 43 - HD2 LYS 39 far 0 84 0 - 6.9-10.0 HB3 LYS 43 - HD3 LYS 39 far 0 75 0 - 7.5-10.6 HB3 LYS 43 - HD2 LYS 39 far 0 74 0 - 7.8-11.0 Violated in 0 structures by 0.00 A. Peak 3963 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.71 A): 1 out of 20 assignments used, quality = 1.00: HB3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.1-2.6 7092=93, 3903/3961=27...(56) ! HB3 LYS 44 - HD3 LYS 44 far 5 100 5 - 2.8-3.7 HB2 LYS 44 - HD2 LYS 44 far 0 98 0 - 3.4-3.7 HB2 LYS 49 - HD2 LYS 44 far 0 96 0 - 3.7-12.6 HB2 LYS 44 - HD3 LYS 44 far 0 99 0 - 3.7-4.2 HB ILE 15 - HD3 LYS 16 far 0 50 0 - 3.8-6.7 HB3 LYS 17 - HD3 LYS 16 far 0 35 0 - 3.9-6.9 HB2 LYS 49 - HD3 LYS 44 far 0 97 0 - 4.4-14.3 HB2 LYS 43 - HD3 LYS 44 far 0 100 0 - 4.6-7.8 HB3 LYS 43 - HD3 LYS 44 far 0 99 0 - 5.1-8.3 HB2 LYS 43 - HD2 LYS 44 far 0 100 0 - 5.1-7.2 HB3 LYS 43 - HD2 LYS 44 far 0 98 0 - 5.3-7.4 HB2 LEU 45 - HD3 LYS 44 far 0 100 0 - 5.4-9.2 HB2 LEU 45 - HD2 LYS 44 far 0 100 0 - 5.9-8.4 HB2 LYS 43 - HD3 LYS 39 far 0 87 0 - 6.7-9.7 HB2 LYS 20 - HD3 LYS 16 far 0 35 0 - 6.9-10.5 HB2 LYS 43 - HD2 LYS 39 far 0 86 0 - 6.9-10.0 HB3 LYS 43 - HD3 LYS 39 far 0 84 0 - 7.5-10.6 HB3 LYS 20 - HD3 LYS 16 far 0 35 0 - 7.8-11.3 HB3 LYS 43 - HD2 LYS 39 far 0 83 0 - 7.8-11.0 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 8 assignments used, quality = 0.91: * HG2 LYS 44 + HD3 LYS 44 OK 89 100 90 99 2.3-3.0 2.9=62, 3937/1.8=21...(55) HG2 LYS 44 + HD2 LYS 44 OK 24 100 25 97 2.5-3.0 2.9=62, 2.9/3952=37...(39) HD2 LYS 19 - HD3 LYS 16 far 0 44 0 - 6.3-9.4 HD3 LYS 19 - HD3 LYS 16 far 0 44 0 - 6.9-9.2 HG3 LYS 19 - HD3 LYS 16 far 0 40 0 - 7.8-9.0 HB3 LEU 70 - HD2 LYS 39 far 0 69 0 - 8.1-10.6 HB3 LEU 70 - HD3 LYS 39 far 0 70 0 - 8.5-11.2 HG2 LYS 44 - HD3 LYS 39 far 0 87 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 3965 from cnoeabs.peaks (1.44, 1.70, 29.13 ppm; 3.04 A increased from 2.70 A): 4 out of 15 assignments used, quality = 1.00: * HG3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 LYS 39 + HD3 LYS 39 OK 47 47 100 100 2.3-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 47 47 100 100 2.4-3.0 3.0=100 HG3 LYS 17 - HD3 LYS 16 far 2 50 5 - 2.8-6.6 HG3 ARG 30 - HD3 LYS 44 far 0 81 0 - 5.7-11.2 HG3 ARG 30 - HD2 LYS 44 far 0 80 0 - 6.9-11.7 HG12 ILE 56 - HD3 LYS 44 far 0 90 0 - 8.5-13.9 HG2 LYS 39 - HD3 LYS 44 far 0 61 0 - 8.7-13.6 HB3 LEU 63 - HD2 LYS 39 far 0 69 0 - 8.8-11.1 HB3 LEU 4 - HD3 LYS 44 far 0 100 0 - 8.8-14.6 HG LEU 4 - HD3 LYS 44 far 0 84 0 - 9.0-15.0 HB3 LEU 63 - HD3 LYS 39 far 0 70 0 - 9.4-12.0 HG2 LYS 39 - HD2 LYS 44 far 0 61 0 - 9.6-13.8 HB2 LEU 4 - HD3 LYS 44 far 0 100 0 - 10.0-15.7 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; 3.15 A increased from 2.80 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HD3 LYS 44 far 0 100 0 - 6.4-11.6 HD3 ARG 30 - HD2 LYS 44 far 0 99 0 - 6.7-10.8 HE3 LYS 44 - HD3 LYS 39 far 0 87 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3969 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 3.15 A increased from 2.80 A): 4 out of 7 assignments used, quality = 1.00: HE2 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 44 + HD3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 44 + HD2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 30 - HD3 LYS 44 far 0 100 0 - 6.4-11.6 HD3 ARG 30 - HD2 LYS 44 far 0 99 0 - 6.7-10.8 HE3 LYS 44 - HD3 LYS 39 far 0 87 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3971 from cnoeabs.peaks (4.06, 2.93, 41.78 ppm; 6.20 A): 5 out of 16 assignments used, quality = 1.00: * HA LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.1-5.5 3904/3.7=98, 3905/3.7=94...(43) HA LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.9-5.7 3904/3.7=98, 3905/3.7=94...(43) HA LYS 96 + HE2 LYS 96 OK 99 99 100 100 1.9-5.4 6077/3.0=99, 6.3=96...(21) HA LYS 96 + HE3 LYS 96 OK 99 99 100 100 1.9-5.4 6077/3.0=99, 6.3=96...(21) HA GLU 91 + HE3 LYS 94 OK 52 53 100 98 2.0-4.1 8195/4.8=72, 8194/4.8=57...(9) HA LYS 96 - HE3 LYS 65 far 3 61 5 - 6.3-10.5 HA LYS 96 - HE2 LYS 65 far 0 61 0 - 6.3-11.2 HA GLU 37 - HE3 LYS 44 far 0 100 0 - 7.2-12.0 HA LYS 96 - HE3 LYS 94 far 0 66 0 - 7.5-9.9 HA GLU 69 - HE2 LYS 65 far 0 59 0 - 7.7-10.9 HA GLU 69 - HE3 LYS 65 far 0 59 0 - 7.9-11.2 HA GLU 91 - HE3 LYS 96 far 0 87 0 - 7.9-12.7 HA GLU 37 - HE2 LYS 44 far 0 100 0 - 8.0-10.9 HA GLU 91 - HE2 LYS 96 far 0 87 0 - 8.0-13.0 HA GLU 69 - HE3 LYS 96 far 0 98 0 - 8.7-16.0 HA GLU 69 - HE2 LYS 96 far 0 98 0 - 8.8-16.0 Violated in 0 structures by 0.00 A. Peak 3972 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.84 A increased from 3.41 A): 4 out of 22 assignments used, quality = 0.99: HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.2-4.2 3952/3.0=80, 5.0=46...(40) HB3 LYS 44 + HE3 LYS 44 OK 64 99 65 100 2.0-4.6 3952/3.0=80, 5.0=46...(39) HB2 LYS 44 + HE3 LYS 44 OK 40 100 40 100 3.4-5.3 5.0=46, ~3953=46...(54) * HB2 LYS 44 + HE2 LYS 44 OK 35 100 35 100 3.4-4.6 5.0=46, ~3953=46...(55) HB2 LYS 96 - HE3 LYS 65 far 5 52 10 - 3.7-9.6 HB2 LYS 96 - HE3 LYS 96 far 5 92 5 - 3.7-5.5 HB2 LYS 96 - HE2 LYS 96 far 5 92 5 - 3.8-5.5 HB2 ARG 95 - HE3 LYS 96 far 4 81 5 - 3.3-10.8 HB2 LYS 96 - HE2 LYS 65 far 3 52 5 - 3.8-9.6 HB2 LYS 43 - HE3 LYS 44 far 0 99 0 - 4.0-9.2 HB2 LYS 49 - HE3 LYS 44 far 0 87 0 - 4.1-14.8 HB2 ARG 95 - HE2 LYS 96 far 0 81 0 - 4.1-10.7 HB2 ARG 95 - HE3 LYS 94 far 0 48 0 - 4.1-7.1 HB3 LYS 43 - HE3 LYS 44 far 0 92 0 - 4.3-9.7 HB3 LYS 43 - HE2 LYS 44 far 0 92 0 - 4.7-9.0 HB2 LYS 43 - HE2 LYS 44 far 0 99 0 - 4.8-8.3 HB2 LYS 49 - HE2 LYS 44 far 0 87 0 - 5.8-14.5 HB2 LYS 96 - HE3 LYS 94 far 0 57 0 - 7.1-10.6 HB2 LEU 45 - HE2 LYS 44 far 0 97 0 - 7.6-9.9 HB2 LEU 45 - HE3 LYS 44 far 0 97 0 - 7.7-10.4 HB2 ARG 95 - HE3 LYS 65 far 0 44 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 44 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.84 A increased from 3.41 A): 4 out of 22 assignments used, quality = 0.99: * HB3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.2-4.2 3953/3.0=80, 5.0=46...(40) HB3 LYS 44 + HE3 LYS 44 OK 65 100 65 100 2.0-4.6 3953/3.0=80, 5.0=46...(39) HB2 LYS 44 + HE3 LYS 44 OK 40 99 40 100 3.4-5.3 5.0=46, ~3953=46...(54) HB2 LYS 44 + HE2 LYS 44 OK 35 99 35 100 3.4-4.6 5.0=46, ~3953=46...(55) HB2 LYS 96 - HE3 LYS 65 far 6 60 10 - 3.7-9.6 HB2 LYS 96 - HE3 LYS 96 far 5 99 5 - 3.7-5.5 HB2 LYS 96 - HE2 LYS 96 far 5 99 5 - 3.8-5.5 HB2 ARG 95 - HE3 LYS 96 far 5 94 5 - 3.3-10.8 HB2 LYS 96 - HE2 LYS 65 far 3 60 5 - 3.8-9.6 HB2 LYS 43 - HE3 LYS 44 far 0 100 0 - 4.0-9.2 HB2 LYS 49 - HE3 LYS 44 far 0 97 0 - 4.1-14.8 HB2 ARG 95 - HE2 LYS 96 far 0 94 0 - 4.1-10.7 HB2 ARG 95 - HE3 LYS 94 far 0 59 0 - 4.1-7.1 HB3 LYS 43 - HE3 LYS 44 far 0 99 0 - 4.3-9.7 HB3 LYS 43 - HE2 LYS 44 far 0 99 0 - 4.7-9.0 HB2 LYS 43 - HE2 LYS 44 far 0 100 0 - 4.8-8.3 HB2 LYS 49 - HE2 LYS 44 far 0 97 0 - 5.8-14.5 HB2 LYS 96 - HE3 LYS 94 far 0 65 0 - 7.1-10.6 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.6-9.9 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.7-10.4 HB2 ARG 95 - HE3 LYS 65 far 0 54 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 54 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3974 from cnoeabs.peaks (1.58, 2.93, 41.78 ppm; 3.72 A increased from 2.98 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=99, 3954/3.0=81...(44) HG3 LYS 96 + HE2 LYS 96 OK 82 87 95 100 2.2-3.8 3.8=95, 3.0/6129=21...(33) HG3 LYS 96 + HE3 LYS 96 OK 65 87 75 100 2.1-4.2 3.8=95, 3.0/6129=23...(33) HG2 LYS 44 + HE3 LYS 44 OK 50 100 50 100 2.2-4.2 3.7=99, 3954/3.0=81...(44) HG3 LYS 96 - HE3 LYS 65 far 0 48 0 - 4.7-9.1 HG3 LYS 96 - HE2 LYS 65 far 0 48 0 - 5.1-9.8 HG LEU 68 - HE3 LYS 65 far 0 59 0 - 6.2-9.3 HG LEU 68 - HE2 LYS 65 far 0 59 0 - 6.6-9.5 HG LEU 82 - HE3 LYS 94 far 0 43 0 - 8.0-9.0 HG3 LYS 96 - HE3 LYS 94 far 0 53 0 - 9.2-11.4 HG LEU 82 - HE3 LYS 65 far 0 39 0 - 9.4-13.1 HG LEU 68 - HE2 LYS 96 far 0 98 0 - 9.6-14.7 HG LEU 68 - HE3 LYS 96 far 0 98 0 - 9.7-15.0 HG LEU 82 - HE2 LYS 65 far 0 39 0 - 9.9-12.8 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 20 assignments used, quality = 1.00: * HG3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=61, ~3954=29...(45) HG2 LYS 96 + HE3 LYS 96 OK 69 100 70 98 2.2-3.7 3.8=59, 3.0/6129=18...(31) HG3 LYS 44 + HE3 LYS 44 OK 65 100 65 100 2.4-3.6 3.7=61, ~3954=29...(45) HG2 LYS 96 + HE2 LYS 96 OK 59 100 60 98 2.1-4.0 3.8=59, 1.8/6146=17...(31) HG3 ARG 30 - HE2 LYS 44 far 0 81 0 - 4.3-12.3 HG2 LYS 96 - HE3 LYS 65 far 0 62 0 - 4.9-9.1 HB3 LYS 61 - HE2 LYS 65 far 0 59 0 - 5.0-9.8 HG2 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.0-9.7 HG3 ARG 30 - HE3 LYS 44 far 0 81 0 - 5.7-12.2 HB3 LYS 61 - HE3 LYS 65 far 0 59 0 - 6.1-9.7 HG LEU 80 - HE3 LYS 94 far 0 67 0 - 8.0-9.5 HB3 LEU 63 - HE2 LYS 65 far 0 48 0 - 8.4-12.0 HG2 LYS 39 - HE3 LYS 44 far 0 61 0 - 8.5-15.3 HG12 ILE 56 - HE2 LYS 44 far 0 90 0 - 8.6-13.6 HB3 LEU 63 - HE3 LYS 65 far 0 48 0 - 9.0-12.3 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.4-11.6 HG LEU 80 - HE3 LYS 65 far 0 62 0 - 9.5-13.0 HG12 ILE 56 - HE3 LYS 44 far 0 90 0 - 9.5-14.3 HB3 LEU 4 - HE2 LYS 44 far 0 100 0 - 9.8-14.9 HG LEU 80 - HE2 LYS 65 far 0 62 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3976 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 3.11 A increased from 2.76 A): 6 out of 19 assignments used, quality = 1.00: HD2 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 96 + HE2 LYS 96 OK 65 65 100 100 2.3-3.0 3.0=100 HD3 LYS 96 + HE3 LYS 96 OK 65 65 100 100 2.3-3.0 3.0=100 HD3 LYS 96 - HE3 LYS 65 far 2 34 5 - 3.0-11.3 HD3 LYS 96 - HE2 LYS 65 far 0 34 0 - 3.8-11.8 HD2 LYS 40 - HE3 LYS 44 far 0 61 0 - 4.2-10.8 HB2 LYS 106 - HE3 LYS 94 far 0 43 0 - 4.4-6.8 HB3 LYS 106 - HE3 LYS 94 far 0 48 0 - 5.2-7.2 HD2 LYS 40 - HE2 LYS 44 far 0 61 0 - 5.4-9.4 HB ILE 54 - HE2 LYS 44 far 0 61 0 - 6.3-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 70 0 - 6.4-11.3 HB ILE 54 - HE3 LYS 44 far 0 61 0 - 6.5-12.7 HD3 LYS 43 - HE3 LYS 44 far 0 70 0 - 7.4-11.9 HG3 LYS 39 - HE3 LYS 44 far 0 100 0 - 8.4-14.9 HD3 LYS 96 - HE3 LYS 94 far 0 37 0 - 8.6-11.7 HD3 LYS 39 - HE3 LYS 44 far 0 99 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 3.11 A increased from 2.76 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 106 - HE3 LYS 94 far 0 48 0 - 4.4-6.8 HB3 LYS 106 - HE3 LYS 94 far 0 53 0 - 5.2-7.2 HD3 LYS 43 - HE2 LYS 44 far 0 61 0 - 6.4-11.3 HD3 LYS 43 - HE3 LYS 44 far 0 61 0 - 7.4-11.9 HG3 LYS 39 - HE3 LYS 44 far 0 99 0 - 8.4-14.9 HD3 LYS 39 - HE3 LYS 44 far 0 100 0 - 9.9-16.1 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): 4 out of 16 assignments used, quality = 0.82: HA GLU 91 + HE3 LYS 94 OK 44 53 100 83 2.0-4.1 6079=41, 8195/4.8=36...(7) HA LYS 96 + HE2 LYS 96 OK 35 99 35 100 1.9-5.4 6077/3.0=72, 3941/3.8=56...(21) * HA LYS 44 + HE3 LYS 44 OK 30 100 30 100 2.9-5.7 3904/3.7=59, 3961/3.0=57...(43) HA LYS 96 + HE3 LYS 96 OK 30 99 30 100 1.9-5.4 6077/3.0=72, 3941/3.8=56...(21) HA LYS 44 - HE2 LYS 44 far 15 100 15 - 2.1-5.5 HA LYS 96 - HE3 LYS 65 far 0 61 0 - 6.3-10.5 HA LYS 96 - HE2 LYS 65 far 0 61 0 - 6.3-11.2 HA GLU 37 - HE3 LYS 44 far 0 100 0 - 7.2-12.0 HA LYS 96 - HE3 LYS 94 far 0 66 0 - 7.5-9.9 HA GLU 69 - HE2 LYS 65 far 0 59 0 - 7.7-10.9 HA GLU 69 - HE3 LYS 65 far 0 59 0 - 7.9-11.2 HA GLU 91 - HE3 LYS 96 far 0 87 0 - 7.9-12.7 HA GLU 37 - HE2 LYS 44 far 0 100 0 - 8.0-10.9 HA GLU 91 - HE2 LYS 96 far 0 87 0 - 8.0-13.0 HA GLU 69 - HE3 LYS 96 far 0 98 0 - 8.7-16.0 HA GLU 69 - HE2 LYS 96 far 0 98 0 - 8.8-16.0 Violated in 0 structures by 0.00 A. Peak 3982 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.84 A increased from 3.41 A): 4 out of 22 assignments used, quality = 0.99: HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.2-4.2 3952/3.0=80, 5.0=46...(40) HB3 LYS 44 + HE3 LYS 44 OK 64 99 65 100 2.0-4.6 3952/3.0=80, 5.0=46...(39) * HB2 LYS 44 + HE3 LYS 44 OK 40 100 40 100 3.4-5.3 5.0=46, ~3953=46...(54) HB2 LYS 44 + HE2 LYS 44 OK 35 100 35 100 3.4-4.6 5.0=46, ~3953=46...(55) HB2 LYS 96 - HE3 LYS 65 far 5 52 10 - 3.7-9.6 HB2 LYS 96 - HE3 LYS 96 far 5 92 5 - 3.7-5.5 HB2 LYS 96 - HE2 LYS 96 far 5 92 5 - 3.8-5.5 HB2 ARG 95 - HE3 LYS 96 far 4 81 5 - 3.3-10.8 HB2 LYS 96 - HE2 LYS 65 far 3 52 5 - 3.8-9.6 HB2 LYS 43 - HE3 LYS 44 far 0 99 0 - 4.0-9.2 HB2 LYS 49 - HE3 LYS 44 far 0 87 0 - 4.1-14.8 HB2 ARG 95 - HE2 LYS 96 far 0 81 0 - 4.1-10.7 HB2 ARG 95 - HE3 LYS 94 far 0 48 0 - 4.1-7.1 HB3 LYS 43 - HE3 LYS 44 far 0 92 0 - 4.3-9.7 HB3 LYS 43 - HE2 LYS 44 far 0 92 0 - 4.7-9.0 HB2 LYS 43 - HE2 LYS 44 far 0 99 0 - 4.8-8.3 HB2 LYS 49 - HE2 LYS 44 far 0 87 0 - 5.8-14.5 HB2 LYS 96 - HE3 LYS 94 far 0 57 0 - 7.1-10.6 HB2 LEU 45 - HE2 LYS 44 far 0 97 0 - 7.6-9.9 HB2 LEU 45 - HE3 LYS 44 far 0 97 0 - 7.7-10.4 HB2 ARG 95 - HE3 LYS 65 far 0 44 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 44 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3983 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.84 A increased from 3.41 A): 4 out of 22 assignments used, quality = 0.99: HB3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.2-4.2 3953/3.0=80, 5.0=46...(40) * HB3 LYS 44 + HE3 LYS 44 OK 65 100 65 100 2.0-4.6 3953/3.0=80, 5.0=46...(39) HB2 LYS 44 + HE3 LYS 44 OK 40 99 40 100 3.4-5.3 5.0=46, ~3953=46...(54) HB2 LYS 44 + HE2 LYS 44 OK 35 99 35 100 3.4-4.6 5.0=46, ~3953=46...(55) HB2 LYS 96 - HE3 LYS 65 far 6 60 10 - 3.7-9.6 HB2 LYS 96 - HE3 LYS 96 far 5 99 5 - 3.7-5.5 HB2 LYS 96 - HE2 LYS 96 far 5 99 5 - 3.8-5.5 HB2 ARG 95 - HE3 LYS 96 far 5 94 5 - 3.3-10.8 HB2 LYS 96 - HE2 LYS 65 far 3 60 5 - 3.8-9.6 HB2 LYS 43 - HE3 LYS 44 far 0 100 0 - 4.0-9.2 HB2 LYS 49 - HE3 LYS 44 far 0 97 0 - 4.1-14.8 HB2 ARG 95 - HE2 LYS 96 far 0 94 0 - 4.1-10.7 HB2 ARG 95 - HE3 LYS 94 far 0 59 0 - 4.1-7.1 HB3 LYS 43 - HE3 LYS 44 far 0 99 0 - 4.3-9.7 HB3 LYS 43 - HE2 LYS 44 far 0 99 0 - 4.7-9.0 HB2 LYS 43 - HE2 LYS 44 far 0 100 0 - 4.8-8.3 HB2 LYS 49 - HE2 LYS 44 far 0 97 0 - 5.8-14.5 HB2 LYS 96 - HE3 LYS 94 far 0 65 0 - 7.1-10.6 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.6-9.9 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.7-10.4 HB2 ARG 95 - HE3 LYS 65 far 0 54 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 54 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (1.58, 2.93, 41.78 ppm; 3.72 A increased from 2.98 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.1-3.7 3.7=99, 3954/3.0=81...(44) HG3 LYS 96 + HE2 LYS 96 OK 82 87 95 100 2.2-3.8 3.8=95, 3.0/6129=21...(33) HG3 LYS 96 + HE3 LYS 96 OK 65 87 75 100 2.1-4.2 3.8=95, 3.0/6129=23...(33) * HG2 LYS 44 + HE3 LYS 44 OK 50 100 50 100 2.2-4.2 3.7=99, 3954/3.0=81...(44) HG3 LYS 96 - HE3 LYS 65 far 0 48 0 - 4.7-9.1 HG3 LYS 96 - HE2 LYS 65 far 0 48 0 - 5.1-9.8 HG LEU 68 - HE3 LYS 65 far 0 59 0 - 6.2-9.3 HG LEU 68 - HE2 LYS 65 far 0 59 0 - 6.6-9.5 HG LEU 82 - HE3 LYS 94 far 0 43 0 - 8.0-9.0 HG3 LYS 96 - HE3 LYS 94 far 0 53 0 - 9.2-11.4 HG LEU 82 - HE3 LYS 65 far 0 39 0 - 9.4-13.1 HG LEU 68 - HE2 LYS 96 far 0 98 0 - 9.6-14.7 HG LEU 68 - HE3 LYS 96 far 0 98 0 - 9.7-15.0 HG LEU 82 - HE2 LYS 65 far 0 39 0 - 9.9-12.8 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 20 assignments used, quality = 1.00: HG3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=61, ~3954=29...(45) HG2 LYS 96 + HE3 LYS 96 OK 69 100 70 98 2.2-3.7 3.8=59, 3.0/6129=18...(31) * HG3 LYS 44 + HE3 LYS 44 OK 65 100 65 100 2.4-3.6 3.7=61, ~3954=29...(45) HG2 LYS 96 + HE2 LYS 96 OK 59 100 60 98 2.1-4.0 3.8=59, 1.8/6146=17...(31) HG3 ARG 30 - HE2 LYS 44 far 0 81 0 - 4.3-12.3 HG2 LYS 96 - HE3 LYS 65 far 0 62 0 - 4.9-9.1 HB3 LYS 61 - HE2 LYS 65 far 0 59 0 - 5.0-9.8 HG2 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.0-9.7 HG3 ARG 30 - HE3 LYS 44 far 0 81 0 - 5.7-12.2 HB3 LYS 61 - HE3 LYS 65 far 0 59 0 - 6.1-9.7 HG LEU 80 - HE3 LYS 94 far 0 67 0 - 8.0-9.5 HB3 LEU 63 - HE2 LYS 65 far 0 48 0 - 8.4-12.0 HG2 LYS 39 - HE3 LYS 44 far 0 61 0 - 8.5-15.3 HG12 ILE 56 - HE2 LYS 44 far 0 90 0 - 8.6-13.6 HB3 LEU 63 - HE3 LYS 65 far 0 48 0 - 9.0-12.3 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.4-11.6 HG LEU 80 - HE3 LYS 65 far 0 62 0 - 9.5-13.0 HG12 ILE 56 - HE3 LYS 44 far 0 90 0 - 9.5-14.3 HB3 LEU 4 - HE2 LYS 44 far 0 100 0 - 9.8-14.9 HG LEU 80 - HE2 LYS 65 far 0 62 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 3.11 A increased from 2.76 A): 6 out of 19 assignments used, quality = 1.00: * HD2 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 96 + HE2 LYS 96 OK 65 65 100 100 2.3-3.0 3.0=100 HD3 LYS 96 + HE3 LYS 96 OK 65 65 100 100 2.3-3.0 3.0=100 HD3 LYS 96 - HE3 LYS 65 far 2 34 5 - 3.0-11.3 HD3 LYS 96 - HE2 LYS 65 far 0 34 0 - 3.8-11.8 HD2 LYS 40 - HE3 LYS 44 far 0 61 0 - 4.2-10.8 HB2 LYS 106 - HE3 LYS 94 far 0 43 0 - 4.4-6.8 HB3 LYS 106 - HE3 LYS 94 far 0 48 0 - 5.2-7.2 HD2 LYS 40 - HE2 LYS 44 far 0 61 0 - 5.4-9.4 HB ILE 54 - HE2 LYS 44 far 0 61 0 - 6.3-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 70 0 - 6.4-11.3 HB ILE 54 - HE3 LYS 44 far 0 61 0 - 6.5-12.7 HD3 LYS 43 - HE3 LYS 44 far 0 70 0 - 7.4-11.9 HG3 LYS 39 - HE3 LYS 44 far 0 100 0 - 8.4-14.9 HD3 LYS 96 - HE3 LYS 94 far 0 37 0 - 8.6-11.7 HD3 LYS 39 - HE3 LYS 44 far 0 99 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 3987 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 3.11 A increased from 2.76 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE3 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE2 LYS 44 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 106 - HE3 LYS 94 far 0 48 0 - 4.4-6.8 HB3 LYS 106 - HE3 LYS 94 far 0 53 0 - 5.2-7.2 HD3 LYS 43 - HE2 LYS 44 far 0 61 0 - 6.4-11.3 HD3 LYS 43 - HE3 LYS 44 far 0 61 0 - 7.4-11.9 HG3 LYS 39 - HE3 LYS 44 far 0 99 0 - 8.4-14.9 HD3 LYS 39 - HE3 LYS 44 far 0 100 0 - 9.9-16.1 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 2.8-2.8 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): 1 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 HB2 LYS 49 - HA LEU 45 far 5 99 5 - 2.7-9.4 HB2 LYS 44 - HA LEU 45 far 0 97 0 - 4.2-5.5 HB3 LYS 44 - HA LEU 45 far 0 100 0 - 4.3-5.1 HB3 LYS 43 - HA LEU 45 far 0 100 0 - 7.6-7.9 HB2 LYS 43 - HA LEU 45 far 0 100 0 - 7.6-7.9 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 2.3-2.4 3.0=100 HG2 ARG 30 - HA LEU 45 far 0 90 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 3994 from cnoeabs.peaks (1.88, 4.15, 57.19 ppm; 3.60 A increased from 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 45 + HA LEU 45 OK 100 100 100 100 3.4-3.5 2.1/3996=79, 4013/3.0=76...(17) HB2 LYS 49 - HA LEU 45 far 3 70 5 - 2.7-9.4 QE MET 42 - HA LEU 45 far 0 73 0 - 6.2-7.0 HB3 LYS 43 - HA LEU 45 far 0 61 0 - 7.6-7.9 QE MET 67 - HA LEU 45 far 0 100 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 3995 from cnoeabs.peaks (0.75, 4.15, 57.19 ppm; 4.07 A increased from 3.25 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 45 + HA LEU 45 OK 100 100 100 100 3.8-3.9 4.0=100 QG2 ILE 54 - HA LEU 45 far 0 96 0 - 4.9-7.1 QG2 VAL 32 - HA LEU 45 far 0 94 0 - 9.4-10.2 Violated in 0 structures by 0.00 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 2.1-2.3 4026=87, 2.1/3994=50...(18) QG2 VAL 78 - HA LEU 45 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 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 2.7-2.8 4.0=91, 1296/4013=87...(13) 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 - 8.2-9.2 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 - 8.0-10.9 HG2 ARG 30 - HB2 LEU 45 far 0 90 0 - 8.9-11.0 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 2.4-2.4 4013=100, 2.1/4020=61...(13) QE MET 42 - HB2 LEU 45 far 0 73 0 - 4.1-4.9 HB2 LYS 49 - HB2 LEU 45 far 0 70 0 - 5.2-11.8 HB3 LYS 43 - HB2 LEU 45 far 0 61 0 - 6.9-7.3 HB2 LYS 73 - HB2 LEU 45 far 0 84 0 - 7.5-10.8 QE MET 67 - HB2 LEU 45 far 0 100 0 - 7.9-9.6 HB ILE 71 - HB2 LEU 45 far 0 81 0 - 8.5-9.6 HB3 LYS 73 - HB2 LEU 45 far 0 87 0 - 8.9-11.1 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 2.3-2.5 3.1=100 QG2 ILE 54 - HB2 LEU 45 far 0 96 0 - 6.1-7.8 QG2 VAL 32 - HB2 LEU 45 far 0 94 0 - 9.0-9.7 QD2 LEU 6 - HB2 LEU 45 far 0 61 0 - 9.2-10.2 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 3.2-3.2 3.1=100 QG2 VAL 78 - HB2 LEU 45 far 0 100 0 - 7.3-7.6 QD2 LEU 6 - HB2 LEU 45 far 0 92 0 - 9.2-10.2 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 3.6-3.6 1295=100, 1296/3.0=80...(11) 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 2 assignments used, quality = 1.00: * HA LEU 45 + HB3 LEU 45 OK 100 100 100 100 2.3-2.4 3.0=100 HA LEU 70 - HB3 LEU 45 far 0 84 0 - 9.2-10.2 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 9 assignments used, quality = 1.00: * HB2 LEU 45 + HB3 LEU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 49 - HB3 LEU 45 far 0 99 0 - 4.2-11.2 HB2 LYS 44 - HB3 LEU 45 far 0 97 0 - 5.6-7.0 HB3 LYS 44 - HB3 LEU 45 far 0 100 0 - 6.2-7.0 HB2 LYS 43 - HB3 LEU 45 far 0 100 0 - 8.3-8.5 HB2 LYS 73 - HB3 LEU 45 far 0 94 0 - 8.3-11.9 HB3 LYS 43 - HB3 LEU 45 far 0 100 0 - 8.4-8.7 HB ILE 71 - HB3 LEU 45 far 0 96 0 - 8.4-9.9 HB3 LYS 73 - HB3 LEU 45 far 0 92 0 - 9.7-12.1 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 8 assignments used, quality = 1.00: * HG LEU 45 + HB3 LEU 45 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 49 - HB3 LEU 45 far 0 70 0 - 4.2-11.2 QE MET 42 - HB3 LEU 45 far 0 73 0 - 4.6-5.4 HB2 LYS 73 - HB3 LEU 45 far 0 84 0 - 8.3-11.9 HB3 LYS 43 - HB3 LEU 45 far 0 61 0 - 8.4-8.7 HB ILE 71 - HB3 LEU 45 far 0 81 0 - 8.4-9.9 QE MET 67 - HB3 LEU 45 far 0 100 0 - 8.5-10.1 HB3 LYS 73 - HB3 LEU 45 far 0 87 0 - 9.7-12.1 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 2.2-2.4 3.1=100 QG2 ILE 54 - HB3 LEU 45 far 0 96 0 - 5.2-7.0 QD2 LEU 6 - HB3 LEU 45 far 0 61 0 - 9.1-10.2 QG2 VAL 32 - HB3 LEU 45 far 0 94 0 - 9.3-10.0 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 2.3-2.5 3.1=100 QG2 VAL 78 - HB3 LEU 45 far 0 100 0 - 6.6-7.1 QD2 LEU 6 - HB3 LEU 45 far 0 92 0 - 9.1-10.2 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 1.9-2.0 1296=100, 1298/2.1=75...(10) 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 3.4-3.5 3994=100, 3996/2.1=90...(17) HA LEU 70 - HG LEU 45 far 0 84 0 - 8.8-9.6 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 2.4-2.4 4001=56, 4020/2.1=41...(13) HB2 LYS 44 - HG LEU 45 far 0 97 0 - 3.6-4.8 HB3 LYS 44 - HG LEU 45 far 0 100 0 - 4.9-5.5 HB2 LYS 43 - HG LEU 45 far 0 100 0 - 5.8-6.3 HB2 LYS 49 - HG LEU 45 far 0 99 0 - 6.1-12.7 HB3 LYS 43 - HG LEU 45 far 0 100 0 - 6.4-7.0 HB ILE 71 - HG LEU 45 far 0 96 0 - 8.6-10.2 HB2 LYS 73 - HG LEU 45 far 0 94 0 - 9.0-12.5 Violated in 1 structures by 0.00 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 3.0-3.0 3.0=100 HG2 ARG 30 - HG LEU 45 far 0 90 0 - 6.8-9.0 HG3 LYS 73 - HG LEU 45 far 0 96 0 - 9.4-12.3 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 0 96 0 - 4.6-6.3 QG2 VAL 32 - HG LEU 45 far 0 94 0 - 7.2-7.8 QD2 LEU 6 - HG LEU 45 far 0 61 0 - 8.4-9.1 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 4 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 - 7.3-7.9 QD2 LEU 6 - HG LEU 45 far 0 92 0 - 8.4-9.1 QD2 LEU 63 - HG LEU 45 far 0 73 0 - 10.0-10.8 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 3.6-3.6 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 4 assignments used, quality = 1.00: * HA LEU 45 + QD1 LEU 45 OK 100 100 100 100 3.8-3.9 4.0=100 HA LEU 63 + QD1 LEU 63 OK 24 24 100 100 3.8-3.8 4.0=100 HA LEU 70 - QD1 LEU 45 far 0 84 0 - 6.4-7.1 HA LEU 63 - QD1 LEU 45 far 0 81 0 - 9.9-10.6 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 10 assignments used, quality = 1.00: * HB2 LEU 45 + QD1 LEU 45 OK 100 100 100 100 2.3-2.5 3.1=82, 4013/2.1=73...(17) HB2 LYS 44 - QD1 LEU 45 far 0 97 0 - 4.9-6.0 HB ILE 71 - QD1 LEU 45 far 0 96 0 - 5.4-6.7 HB2 LYS 49 - QD1 LEU 45 far 0 99 0 - 5.7-11.6 HB3 LYS 44 - QD1 LEU 45 far 0 100 0 - 5.9-6.6 HB2 LYS 73 - QD1 LEU 45 far 0 94 0 - 6.5-9.5 HB2 LYS 43 - QD1 LEU 45 far 0 100 0 - 6.6-7.0 HB3 LYS 43 - QD1 LEU 45 far 0 100 0 - 7.1-7.6 HB3 LYS 73 - QD1 LEU 45 far 0 92 0 - 8.0-9.6 HB ILE 7 - QD1 LEU 63 far 0 27 0 - 9.7-10.4 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 2.2-2.4 3.1=82, 1.8/4020=67...(15) HG2 ARG 30 - QD1 LEU 45 far 0 90 0 - 5.7-7.6 HG3 LYS 73 - QD1 LEU 45 far 0 96 0 - 7.2-9.4 HD2 LYS 53 - QD1 LEU 45 far 0 98 0 - 8.6-11.4 QB ALA 124 - QD1 LEU 45 far 0 65 0 - 9.3-10.1 HG2 ARG 30 - QD1 LEU 63 far 0 28 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 4022 from cnoeabs.peaks (1.88, 0.75, 25.49 ppm; 2.91 A): 3 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 48 73 100 66 1.9-2.7 9431=46, 3804/9435=14...(6) HB2 LEU 63 + QD1 LEU 63 OK 27 28 100 95 2.3-2.4 3.1=80, 3.0/4715=25...(9) QE MET 67 - QD1 LEU 63 far 0 35 0 - 3.4-4.3 QE MET 67 - QD1 LEU 45 far 0 100 0 - 5.0-6.4 HB ILE 71 - QD1 LEU 45 far 0 81 0 - 5.4-6.7 HB2 LYS 49 - QD1 LEU 45 far 0 70 0 - 5.7-11.6 HB2 LYS 73 - QD1 LEU 45 far 0 84 0 - 6.5-9.5 HB3 LYS 43 - QD1 LEU 45 far 0 61 0 - 7.1-7.6 QE MET 42 - QD1 LEU 63 far 0 21 0 - 7.4-8.3 HB3 LYS 73 - QD1 LEU 45 far 0 87 0 - 8.0-9.6 HB ILE 7 - QD1 LEU 63 far 0 29 0 - 9.7-10.4 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 - 4.4-4.9 QD2 LEU 6 - QD1 LEU 45 far 0 92 0 - 5.7-6.5 QD2 LEU 6 - QD1 LEU 63 far 0 29 0 - 6.0-6.6 QD1 LEU 6 - QD1 LEU 63 far 0 29 0 - 6.4-7.0 QD2 LEU 55 - QD1 LEU 45 far 0 90 0 - 7.5-8.4 QD1 LEU 6 - QD1 LEU 45 far 0 92 0 - 7.9-8.5 QD2 LEU 63 - QD1 LEU 45 far 0 73 0 - 8.1-8.9 QD2 LEU 55 - QD1 LEU 63 far 0 28 0 - 8.5-9.0 QD1 LEU 63 - QD1 LEU 45 far 0 73 0 - 9.0-9.7 QD1 ILE 57 - QD1 LEU 45 far 0 65 0 - 9.5-10.1 QD2 LEU 45 - QD1 LEU 63 far 0 36 0 - 9.5-10.4 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 2.3-2.9 1298=100, 1296/2.1=98...(11) 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 2.1-2.3 3996=100, 3994/2.1=56...(18) HA LEU 70 - QD2 LEU 45 far 0 84 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4027 from cnoeabs.peaks (1.90, 0.72, 23.70 ppm; 3.09 A): 2 out of 8 assignments used, quality = 0.92: * HB2 LEU 45 + QD2 LEU 45 OK 90 100 90 100 3.2-3.2 3.1=96, 4013/2.1=78...(15) HB2 LYS 44 + QD2 LEU 45 OK 23 97 95 24 2.6-4.3 4.7/1298=24 HB3 LYS 44 - QD2 LEU 45 far 0 100 0 - 3.4-4.5 HB2 LYS 49 - QD2 LEU 45 far 0 99 0 - 4.2-10.0 HB2 LYS 43 - QD2 LEU 45 far 0 100 0 - 6.3-6.8 HB3 LYS 43 - QD2 LEU 45 far 0 100 0 - 6.8-7.2 HB ILE 71 - QD2 LEU 45 far 0 96 0 - 7.7-9.2 HB2 LYS 73 - QD2 LEU 45 far 0 94 0 - 8.9-11.8 Violated in 1 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 2.3-2.5 3.1=100 HG2 ARG 30 - QD2 LEU 45 far 0 90 0 - 4.4-6.2 HD2 LYS 53 - QD2 LEU 45 far 0 98 0 - 8.0-10.8 HG3 LYS 73 - QD2 LEU 45 far 0 96 0 - 9.5-11.8 QB ALA 124 - QD2 LEU 45 far 0 65 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 4029 from cnoeabs.peaks (1.88, 0.72, 23.70 ppm; 3.14 A): 1 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 far 0 73 0 - 3.6-4.8 HB2 LYS 49 - QD2 LEU 45 far 0 70 0 - 4.2-10.0 QE MET 67 - QD2 LEU 45 far 0 100 0 - 6.0-7.3 HB3 LYS 43 - QD2 LEU 45 far 0 61 0 - 6.8-7.2 HB ILE 71 - QD2 LEU 45 far 0 81 0 - 7.7-9.2 HB2 LYS 73 - QD2 LEU 45 far 0 84 0 - 8.9-11.8 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 7 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 far 5 96 5 - 2.4-4.0 QG2 VAL 32 - QD2 LEU 45 far 0 94 0 - 5.9-6.7 QD2 LEU 6 - QD2 LEU 45 far 0 61 0 - 6.7-7.7 QD2 LEU 55 - QD2 LEU 45 far 0 65 0 - 7.5-8.5 QD1 LEU 63 - QD2 LEU 45 far 0 84 0 - 9.5-10.4 QD1 ILE 7 - QD2 LEU 45 far 0 84 0 - 9.8-10.8 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 2.8-2.9 3.0=100 HD21 ASN 50 - HA ALA 46 far 0 99 0 - 5.8-12.8 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 2.1-2.3 2.9=100 HD21 ASN 50 - QB ALA 46 far 0 99 0 - 6.7-12.2 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (4.25, 1.55, 18.88 ppm; 2.79 A): 1 out of 3 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 far 0 100 0 - 3.8-4.0 HA GLU 41 - QB ALA 46 far 0 90 0 - 8.0-8.3 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 3.0-3.0 3.0=100 HB2 GLU 48 - HA GLU 47 far 0 73 0 - 4.2-6.6 HB3 GLU 48 - HA GLU 47 far 0 73 0 - 4.6-6.6 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 2.6-2.7 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 2.2-3.7 4057=100, 1.8/4063=66...(10) Violated in 1 structures by 0.00 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 2.5-3.2 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 2.2-2.3 1304=100, 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 3.0-3.0 3.0=100 HA ALA 46 - HB2 GLU 47 far 0 100 0 - 5.5-5.6 HA GLU 52 - HB2 GLN 28 far 0 88 0 - 6.4-7.8 HA GLU 41 - HB2 GLU 47 far 0 84 0 - 7.2-7.9 HA GLU 41 - HB2 GLN 28 far 0 75 0 - 9.8-11.1 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 - 4.1-8.3 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 2.3-3.0 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 2.3-2.7 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 3.5-3.6 1305=100, 1304/1.8=86...(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 3 assignments used, quality = 1.00: * HA GLU 47 + HB3 GLU 47 OK 100 100 100 100 2.6-2.7 3.0=100 HA ALA 46 - HB3 GLU 47 far 0 100 0 - 6.5-6.5 HA GLU 41 - HB3 GLU 47 far 0 84 0 - 8.6-9.4 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 far 0 73 0 - 3.5-5.9 HB3 GLU 48 - HB3 GLU 47 far 0 73 0 - 4.0-6.2 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 2.6-2.7 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 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4056 from cnoeabs.peaks (7.71, 2.29, 36.27 ppm; 4.13 A increased from 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HG2 GLU 47 OK 100 100 100 100 3.7-3.9 1306=100, 1307/1.8=89...(8) 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 = 0.95: * HA GLU 47 + HG2 GLU 47 OK 95 100 95 100 2.2-3.7 4042=96, 4063/1.8=64...(10) HA ALA 46 - HG2 GLU 47 far 0 100 0 - 6.0-6.7 HA GLU 41 - HG2 GLU 47 far 0 84 0 - 7.8-10.0 Violated in 1 structures by 0.01 A. Peak 4058 from cnoeabs.peaks (2.06, 2.29, 36.27 ppm; 2.63 A): 1 out of 16 assignments used, quality = 0.39: HB3 GLU 87 + HG2 GLU 87 OK 39 42 100 93 2.5-2.6 3.0=67, ~5708=32...(11) ! HB2 GLU 47 - HG2 GLU 47 far 5 100 5 - 2.3-3.0 HB3 GLU 87 - HG3 GLU 87 far 0 42 0 - 3.0-3.0 HB2 GLU 48 - HG2 GLU 47 far 0 73 0 - 5.9-8.1 HB3 GLU 91 - HG2 GLU 87 far 0 50 0 - 6.1-6.5 HB3 GLU 48 - HG2 GLU 47 far 0 73 0 - 6.3-8.2 HB3 GLU 91 - HG3 GLU 87 far 0 50 0 - 6.5-6.8 HB3 GLN 85 - HG2 GLU 87 far 0 42 0 - 7.0-7.7 HB3 GLN 85 - HG3 GLU 87 far 0 42 0 - 7.1-8.1 HB2 GLU 13 - HG2 GLU 111 far 0 49 0 - 7.5-10.9 HB2 GLU 89 - HG2 GLU 87 far 0 42 0 - 7.9-9.8 HB2 GLU 89 - HG3 GLU 87 far 0 42 0 - 8.0-9.8 HB3 GLU 89 - HG3 GLU 87 far 0 42 0 - 8.6-9.7 HB2 LYS 94 - HG2 GLU 87 far 0 48 0 - 8.8-9.5 HB3 GLU 89 - HG2 GLU 87 far 0 42 0 - 8.8-9.6 HB2 LYS 94 - HG3 GLU 87 far 0 48 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4059 from cnoeabs.peaks (2.11, 2.29, 36.27 ppm; 2.63 A): 3 out of 12 assignments used, quality = 0.94: * HB3 GLU 47 + HG2 GLU 47 OK 84 100 100 84 2.6-2.7 3.0=67, 3.0/4057=29...(4) HB2 GLU 87 + HG3 GLU 87 OK 40 42 100 95 2.3-2.4 3.0=67, ~5714=32...(12) HB2 GLU 111 + HG2 GLU 111 OK 36 44 100 81 2.3-2.6 3.0=67, 3.0/6595=18...(6) HB2 GLU 87 - HG2 GLU 87 far 0 42 0 - 3.0-3.0 HB2 GLU 91 - HG2 GLU 87 far 0 45 0 - 7.7-8.1 HB2 GLU 91 - HG3 GLU 87 far 0 45 0 - 7.9-8.4 HG3 GLU 21 - HG2 GLU 111 far 0 52 0 - 8.1-11.9 HG3 GLN 83 - HG2 GLU 111 far 0 51 0 - 8.4-10.4 HB VAL 107 - HG2 GLU 111 far 0 52 0 - 8.5-11.3 HG2 GLU 21 - HG2 GLU 111 far 0 54 0 - 8.8-11.7 HB VAL 107 - HG2 GLU 87 far 0 64 0 - 9.0-10.0 HG3 GLN 83 - HG2 GLU 87 far 0 62 0 - 9.4-10.3 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 3.0-3.3 1307=100, 1304/3.0=67...(9) 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 2.5-3.2 3.9=93, 4057/1.8=82...(10) HA ALA 46 - HG3 GLU 47 far 0 100 0 - 5.4-6.1 HA GLU 41 - HG3 GLU 47 far 0 84 0 - 7.7-8.9 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 2.3-2.7 3.0=100 HB2 GLU 48 - HG3 GLU 47 far 0 73 0 - 6.3-8.1 HB3 GLU 48 - HG3 GLU 47 far 0 73 0 - 6.6-8.3 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 1 assignment used, quality = 1.00: * HB3 GLU 47 + HG3 GLU 47 OK 100 100 100 100 3.0-3.0 3.0=100 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): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 47 - HA GLU 48 far 0 73 0 - 4.7-5.3 HB2 MET 1 - HA GLU 48 far 0 92 0 - 7.5-14.3 HG3 GLU 52 - HA GLU 48 far 0 99 0 - 7.8-13.2 Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (2.04, 4.37, 56.02 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 47 - HA GLU 48 far 0 73 0 - 4.7-5.3 HB2 MET 1 - HA GLU 48 far 0 92 0 - 7.5-14.3 HG3 GLU 52 - HA GLU 48 far 0 99 0 - 7.8-13.2 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 3 assignments used, quality = 1.00: * HG2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.2-3.8 4.0=100 HB3 MET 1 - HA GLU 48 far 0 99 0 - 8.0-15.1 HG3 GLN 28 - HA GLU 48 far 0 100 0 - 9.9-14.5 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 2.2-3.8 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 2.3-3.9 4.1=100 H GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.4-3.9 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 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 42 - HB2 GLU 48 far 0 92 0 - 8.3-11.3 HA MET 42 - HB3 GLU 48 far 0 92 0 - 8.9-12.0 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 7 assignments used, quality = 1.00: HG2 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 28 - HB3 GLU 48 far 0 100 0 - 7.6-14.7 HG3 GLN 28 - HB2 GLU 48 far 0 100 0 - 7.9-14.6 HB3 MET 1 - HB2 GLU 48 far 0 99 0 - 8.2-15.7 HB3 MET 1 - HB3 GLU 48 far 0 99 0 - 9.4-14.4 HB2 MET 42 - HB2 GLU 48 far 0 90 0 - 9.8-12.6 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 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 48 + HB3 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 2.3-3.9 4.1=100 * H GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.4-3.9 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 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 42 - HB2 GLU 48 far 0 92 0 - 8.3-11.3 HA MET 42 - HB3 GLU 48 far 0 92 0 - 8.9-12.0 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 7 assignments used, quality = 1.00: * HG2 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 28 - HB3 GLU 48 far 0 100 0 - 7.6-14.7 HG3 GLN 28 - HB2 GLU 48 far 0 100 0 - 7.9-14.6 HB3 MET 1 - HB2 GLU 48 far 0 99 0 - 8.2-15.7 HB3 MET 1 - HB3 GLU 48 far 0 99 0 - 9.4-14.4 HB2 MET 42 - HB2 GLU 48 far 0 90 0 - 9.8-12.6 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 + HB2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLU 48 + HB3 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 2.2-4.8 5.1=83, 1313/1.8=77...(4) Violated in 1 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 2.2-3.8 4.0=100 HA MET 42 - HG2 GLU 48 far 0 92 0 - 7.9-12.6 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 = 0.84: HB3 GLU 48 + HG2 GLU 48 OK 79 100 85 93 2.3-3.0 3.0=83, 4.1/4086=16...(8) * HB2 GLU 48 + HG2 GLU 48 OK 23 100 25 92 2.4-3.0 3.0=83, 4095/1.8=24...(8) HB2 GLU 47 - HG2 GLU 48 far 0 73 0 - 3.2-7.6 HG3 GLU 52 - HG2 GLU 48 far 0 99 0 - 4.8-13.3 HB2 MET 1 - HG2 GLU 48 far 0 92 0 - 6.1-15.0 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 = 0.84: * HB3 GLU 48 + HG2 GLU 48 OK 79 100 85 93 2.3-3.0 3.0=83, 4.1/4086=16...(8) HB2 GLU 48 + HG2 GLU 48 OK 23 100 25 92 2.4-3.0 3.0=83, 4095/1.8=24...(8) HB2 GLU 47 - HG2 GLU 48 far 0 73 0 - 3.2-7.6 HG3 GLU 52 - HG2 GLU 48 far 0 99 0 - 4.8-13.3 HB2 MET 1 - HG2 GLU 48 far 0 92 0 - 6.1-15.0 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 1 assignment used, quality = 1.00: * H GLU 48 + HG3 GLU 48 OK 100 100 100 100 2.7-5.0 1313=100, 4086/1.8=83...(4) Violated in 1 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 2.2-3.8 4.0=100 HA MET 42 - HG3 GLU 48 far 0 92 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 4094 from cnoeabs.peaks (2.04, 2.32, 36.01 ppm; 2.70 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.97: HB2 GLU 89 + HG3 GLU 89 OK 76 90 85 99 2.3-3.0 5756=94, 5761/1.8=23...(15) * HB2 GLU 48 + HG3 GLU 48 OK 75 100 85 89 2.3-3.0 3.0=73, ~4089=25...(5) HB3 GLU 48 + HG3 GLU 48 OK 36 100 40 89 2.3-3.0 3.0=73, 4088/1.8=47...(5) HB2 GLU 92 + HG2 GLU 92 OK 32 82 40 99 2.3-3.0 3.0=73, 1.8/5863=60...(17) HB3 GLU 89 - HG3 GLU 89 far 14 90 15 - 2.6-3.0 HB3 GLU 89 - HG2 GLU 92 far 0 99 0 - 3.9-7.6 HB2 GLU 47 - HG3 GLU 48 far 0 73 0 - 3.9-8.0 HB2 GLU 89 - HG2 GLU 92 far 0 99 0 - 5.0-8.3 HB2 GLU 92 - HG3 GLU 89 far 0 70 0 - 5.5-6.5 HG3 GLU 52 - HG3 GLU 48 far 0 99 0 - 6.5-13.7 HB3 GLN 85 - HG3 GLU 89 far 0 90 0 - 6.8-9.9 HB3 GLU 87 - HG3 GLU 89 far 0 90 0 - 6.9-8.4 HB2 MET 1 - HG3 GLU 48 far 0 92 0 - 7.4-15.4 HB3 GLU 98 - HG3 GLU 103 far 0 52 0 - 8.4-10.6 HB3 GLN 100 - HG3 GLU 103 far 0 63 0 - 8.9-11.8 HB3 GLU 87 - HG2 GLU 92 far 0 99 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (2.04, 2.32, 36.01 ppm; 2.70 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.97: HB2 GLU 89 + HG3 GLU 89 OK 76 90 85 99 2.3-3.0 5756=94, 5761/1.8=23...(15) HB2 GLU 48 + HG3 GLU 48 OK 75 100 85 89 2.3-3.0 3.0=73, ~4089=25...(5) * HB3 GLU 48 + HG3 GLU 48 OK 36 100 40 89 2.3-3.0 3.0=73, 4088/1.8=47...(5) HB2 GLU 92 + HG2 GLU 92 OK 32 82 40 99 2.3-3.0 3.0=73, 1.8/5863=60...(17) HB3 GLU 89 - HG3 GLU 89 far 14 90 15 - 2.6-3.0 HB3 GLU 89 - HG2 GLU 92 far 0 99 0 - 3.9-7.6 HB2 GLU 47 - HG3 GLU 48 far 0 73 0 - 3.9-8.0 HB2 GLU 89 - HG2 GLU 92 far 0 99 0 - 5.0-8.3 HB2 GLU 92 - HG3 GLU 89 far 0 70 0 - 5.5-6.5 HG3 GLU 52 - HG3 GLU 48 far 0 99 0 - 6.5-13.7 HB3 GLN 85 - HG3 GLU 89 far 0 90 0 - 6.8-9.9 HB3 GLU 87 - HG3 GLU 89 far 0 90 0 - 6.9-8.4 HB2 MET 1 - HG3 GLU 48 far 0 92 0 - 7.4-15.4 HB3 GLU 98 - HG3 GLU 103 far 0 52 0 - 8.4-10.6 HB3 GLN 100 - HG3 GLU 103 far 0 63 0 - 8.9-11.8 HB3 GLU 87 - HG2 GLU 92 far 0 99 0 - 9.5-10.3 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 5 assignments used, quality = 1.00: * HG2 GLU 48 + HG3 GLU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 1 - HG3 GLU 48 far 0 99 0 - 8.0-15.7 HG3 GLN 28 - HG3 GLU 48 far 0 100 0 - 8.2-14.9 HB2 GLN 83 - HG3 GLU 89 far 0 78 0 - 9.7-14.0 HB2 GLN 100 - HG3 GLU 103 far 0 63 0 - 9.8-12.0 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 2.3-2.9 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 6 assignments used, quality = 1.00: * HB2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 44 - HA LYS 49 far 0 97 0 - 5.7-10.4 HB2 LEU 45 - HA LYS 49 far 0 99 0 - 6.5-10.2 HB2 LYS 44 - HA LYS 49 far 0 87 0 - 6.6-11.6 HG LEU 45 - HA LYS 49 far 0 70 0 - 7.8-11.0 HB3 LYS 43 - HA LYS 49 far 0 100 0 - 9.9-12.3 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 2.3-3.0 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 4 assignments used, quality = 1.00: HG3 LYS 49 + HA LYS 49 OK 95 100 95 100 2.3-4.2 3.9=91, 4130/3.0=53...(24) * HG2 LYS 49 + HA LYS 49 OK 95 100 95 100 2.2-3.9 3.9=91, 1.8/4139=35...(24) HB2 LEU 74 - HA LYS 49 far 0 96 0 - 8.8-15.3 HG LEU 4 - HA LYS 49 far 0 97 0 - 9.7-14.3 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 4 assignments used, quality = 1.00: * HG3 LYS 49 + HA LYS 49 OK 95 100 95 100 2.3-4.2 3.9=91, 4130/3.0=53...(24) HG2 LYS 49 + HA LYS 49 OK 95 100 95 100 2.2-3.9 3.9=91, 1.8/4139=35...(24) HB2 LEU 74 - HA LYS 49 far 0 96 0 - 8.8-15.3 HG LEU 4 - HA LYS 49 far 0 97 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (1.65, 4.32, 56.52 ppm; 4.81 A increased from 4.05 A): 2 out of 3 assignments used, quality = 0.99: HD3 LYS 49 + HA LYS 49 OK 95 100 95 100 2.0-5.0 5.1=82, 4151/3.0=50...(30) * HD2 LYS 49 + HA LYS 49 OK 80 100 80 100 3.1-5.5 5.1=82, 4114/3.0=47...(30) HB2 GLU 52 - HA LYS 49 far 0 100 0 - 6.1-11.4 Violated in 0 structures by 0.00 A. Peak 4105 from cnoeabs.peaks (1.65, 4.32, 56.52 ppm; 4.81 A increased from 4.05 A): 2 out of 3 assignments used, quality = 0.99: * HD3 LYS 49 + HA LYS 49 OK 95 100 95 100 2.0-5.0 5.1=82, 4151/3.0=50...(30) HD2 LYS 49 + HA LYS 49 OK 80 100 80 100 3.1-5.5 5.1=82, 4114/3.0=47...(30) HB2 GLU 52 - HA LYS 49 far 0 100 0 - 6.1-11.4 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 2.3-3.8 4.0=100 H ALA 124 + HB3 LYS 123 OK 44 44 100 100 2.5-3.4 786/1.8=86, 4.4=86...(9) H LEU 80 - HB3 LYS 123 far 0 44 0 - 9.1-10.7 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 2.4-3.0 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): 1 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 far 4 43 10 - 2.2-3.2 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 5 assignments used, quality = 1.00: HG3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 4 - HB2 LYS 49 far 0 97 0 - 9.3-15.6 HB2 LEU 74 - HB2 LYS 49 far 0 96 0 - 9.4-15.5 HG3 ARG 30 - HB2 LYS 49 far 0 98 0 - 10.0-18.3 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 5 assignments used, quality = 1.00: * HG3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 4 - HB2 LYS 49 far 0 97 0 - 9.3-15.6 HB2 LEU 74 - HB2 LYS 49 far 0 96 0 - 9.4-15.5 HG3 ARG 30 - HB2 LYS 49 far 0 98 0 - 10.0-18.3 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 = 0.57: * HD2 LYS 49 + HB2 LYS 49 OK 34 100 35 98 2.3-4.2 3.9=44, 3.0/4140=36...(32) HD3 LYS 49 + HB2 LYS 49 OK 34 100 35 97 2.2-4.2 3.9=44, 3.0/4130=36...(32) HB2 GLU 52 - HB2 LYS 49 far 0 100 0 - 5.1-11.6 HB ILE 5 - HB3 LYS 123 far 0 43 0 - 10.0-12.1 Violated in 8 structures by 0.12 A. Peak 4115 from cnoeabs.peaks (1.65, 1.90, 32.46 ppm; 2.97 A): 2 out of 4 assignments used, quality = 0.57: HD2 LYS 49 + HB2 LYS 49 OK 34 100 35 98 2.3-4.2 3.9=44, 3.0/4140=36...(32) * HD3 LYS 49 + HB2 LYS 49 OK 34 100 35 97 2.2-4.2 3.9=44, 3.0/4130=36...(32) HB2 GLU 52 - HB2 LYS 49 far 0 100 0 - 5.1-11.6 HB ILE 5 - HB3 LYS 123 far 0 43 0 - 10.0-12.1 Violated in 8 structures by 0.12 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 2.2-5.5 5.1=100 * HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.4-5.1 5.1=100 HE2 LYS 123 + HB3 LYS 123 OK 46 46 100 100 3.9-5.1 5.1=100 HE3 LYS 123 + HB3 LYS 123 OK 44 44 100 100 4.1-4.7 5.1=100 HB2 PHE 51 - HB2 LYS 49 far 0 87 0 - 6.2-10.7 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 2.2-5.5 5.1=100 HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.4-5.1 5.1=100 HE2 LYS 123 + HB3 LYS 123 OK 46 46 100 100 3.9-5.1 5.1=100 HE3 LYS 123 + HB3 LYS 123 OK 44 44 100 100 4.1-4.7 5.1=100 HB2 PHE 51 - HB2 LYS 49 far 0 87 0 - 6.2-10.7 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 2.5-3.8 4.0=97, 4138/3.0=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 2.3-3.0 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 7 assignments used, quality = 1.00: * HB2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 44 - HB3 LYS 49 far 0 97 0 - 4.4-12.2 HB2 LYS 44 - HB3 LYS 49 far 0 87 0 - 4.8-12.9 HB2 LEU 45 - HB3 LYS 49 far 0 99 0 - 5.3-12.0 HG LEU 45 - HB3 LYS 49 far 0 70 0 - 5.5-13.2 HB3 LYS 43 - HB3 LYS 49 far 0 100 0 - 8.8-14.5 HB2 LYS 43 - HB3 LYS 49 far 0 96 0 - 9.0-15.2 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 5 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 2.6-3.0 3.0=100 HG LEU 4 - HB3 LYS 49 far 0 97 0 - 9.7-15.5 HG3 ARG 30 - HB3 LYS 49 far 0 98 0 - 9.8-18.1 HB2 LEU 74 - HB3 LYS 49 far 0 96 0 - 10.0-15.6 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 5 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 2.6-3.0 3.0=100 HG LEU 4 - HB3 LYS 49 far 0 97 0 - 9.7-15.5 HG3 ARG 30 - HB3 LYS 49 far 0 98 0 - 9.8-18.1 HB2 LEU 74 - HB3 LYS 49 far 0 96 0 - 10.0-15.6 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: HD3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-3.6 3.9=78, 4114/1.8=44...(35) * HD2 LYS 49 + HB3 LYS 49 OK 80 100 80 100 2.1-3.9 3.9=78, 4115/1.8=44...(35) HB2 GLU 52 - HB3 LYS 49 far 0 100 0 - 5.7-11.9 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: * HD3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-3.6 3.9=78, 4114/1.8=44...(35) HD2 LYS 49 + HB3 LYS 49 OK 80 100 80 100 2.1-3.9 3.9=78, 4115/1.8=44...(35) HB2 GLU 52 - HB3 LYS 49 far 0 100 0 - 5.7-11.9 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: HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.0-4.9 5.1=100 * HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-4.7 5.1=100 HB2 PHE 51 - HB3 LYS 49 far 4 87 5 - 5.6-10.6 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: * HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.0-4.9 5.1=100 HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-4.7 5.1=100 HB2 PHE 51 - HB3 LYS 49 far 4 87 5 - 5.6-10.6 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 2.1-4.7 4.8=89, 4118/3.0=75...(16) * H LYS 49 + HG2 LYS 49 OK 85 100 85 100 2.1-5.2 4.8=89, 4118/3.0=75...(16) Violated in 0 structures by 0.00 A. Peak 4129 from cnoeabs.peaks (4.32, 1.46, 24.65 ppm; 3.81 A increased from 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.9 3.9=94, 4103/1.8=38...(24) HA LYS 49 + HG3 LYS 49 OK 95 100 95 100 2.3-4.2 3.9=94, 3.0/4140=54...(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 14 assignments used, quality = 0.96: HB2 LYS 49 + HG3 LYS 49 OK 93 100 95 98 2.3-3.0 3.0=88, 4115/3.0=22...(20) * HB2 LYS 49 + HG2 LYS 49 OK 34 100 35 98 2.3-3.0 3.0=88, 4115/3.0=22...(20) HB3 LYS 44 - HG3 LYS 49 far 0 97 0 - 4.2-12.8 HB2 LEU 45 - HG2 LYS 49 far 0 99 0 - 5.3-12.1 HG LEU 45 - HG2 LYS 49 far 0 70 0 - 5.6-13.7 HB2 LYS 44 - HG3 LYS 49 far 0 87 0 - 5.7-14.0 HB3 LYS 44 - HG2 LYS 49 far 0 97 0 - 5.7-13.0 HB2 LYS 44 - HG2 LYS 49 far 0 87 0 - 6.1-14.3 HB2 LEU 45 - HG3 LYS 49 far 0 99 0 - 6.5-12.5 HB3 LYS 43 - HG3 LYS 49 far 0 100 0 - 7.2-14.7 HG LEU 45 - HG3 LYS 49 far 0 70 0 - 7.3-13.5 HB2 LYS 43 - HG3 LYS 49 far 0 96 0 - 7.8-15.6 HB3 LYS 43 - HG2 LYS 49 far 0 100 0 - 8.4-15.3 HB2 LYS 43 - HG2 LYS 49 far 0 96 0 - 9.1-16.4 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 2.6-3.0 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; 3.02 A increased from 2.55 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 5.0-13.4 HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.1-13.5 HB2 ARG 30 - HG2 LYS 49 far 0 100 0 - 10.0-20.2 Violated in 0 structures by 0.00 A. Peak 4135 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 3.02 A increased from 2.55 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 5.0-13.4 HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.1-13.5 HB2 ARG 30 - HG2 LYS 49 far 0 100 0 - 10.0-20.2 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: * HE2 LYS 49 + HG2 LYS 49 OK 99 100 100 99 2.1-3.8 3.8=88, 1.8/4173=17...(29) HE3 LYS 49 + HG3 LYS 49 OK 89 100 90 99 2.3-4.2 3.8=88, 5.1/4140=25...(29) HE2 LYS 49 + HG3 LYS 49 OK 80 100 80 99 2.1-4.2 3.8=88, 5.1/4140=25...(29) HE3 LYS 49 + HG2 LYS 49 OK 65 100 65 99 2.3-4.2 3.8=88, 1.8/4173=20...(29) HB2 PHE 51 - HG2 LYS 49 far 0 87 0 - 6.6-11.3 HB2 PHE 51 - HG3 LYS 49 far 0 87 0 - 6.9-10.7 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: HE2 LYS 49 + HG2 LYS 49 OK 99 100 100 99 2.1-3.8 3.8=88, 1.8/4173=17...(29) HE3 LYS 49 + HG3 LYS 49 OK 89 100 90 99 2.3-4.2 3.8=88, 5.1/4140=25...(29) HE2 LYS 49 + HG3 LYS 49 OK 80 100 80 99 2.1-4.2 3.8=88, 5.1/4140=25...(29) * HE3 LYS 49 + HG2 LYS 49 OK 65 100 65 99 2.3-4.2 3.8=88, 1.8/4173=20...(29) HB2 PHE 51 - HG2 LYS 49 far 0 87 0 - 6.6-11.3 HB2 PHE 51 - HG3 LYS 49 far 0 87 0 - 6.9-10.7 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 2.1-4.7 4.8=89, 4118/3.0=75...(16) H LYS 49 + HG2 LYS 49 OK 85 100 85 100 2.1-5.2 4.8=89, 4118/3.0=75...(16) Violated in 0 structures by 0.00 A. Peak 4139 from cnoeabs.peaks (4.32, 1.46, 24.65 ppm; 3.81 A increased from 3.58 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.9 3.9=94, 4103/1.8=38...(24) * HA LYS 49 + HG3 LYS 49 OK 95 100 95 100 2.3-4.2 3.9=94, 3.0/4140=54...(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 14 assignments used, quality = 0.96: * HB2 LYS 49 + HG3 LYS 49 OK 93 100 95 98 2.3-3.0 3.0=88, 4115/3.0=22...(20) HB2 LYS 49 + HG2 LYS 49 OK 34 100 35 98 2.3-3.0 3.0=88, 4115/3.0=22...(20) HB3 LYS 44 - HG3 LYS 49 far 0 97 0 - 4.2-12.8 HB2 LEU 45 - HG2 LYS 49 far 0 99 0 - 5.3-12.1 HG LEU 45 - HG2 LYS 49 far 0 70 0 - 5.6-13.7 HB2 LYS 44 - HG3 LYS 49 far 0 87 0 - 5.7-14.0 HB3 LYS 44 - HG2 LYS 49 far 0 97 0 - 5.7-13.0 HB2 LYS 44 - HG2 LYS 49 far 0 87 0 - 6.1-14.3 HB2 LEU 45 - HG3 LYS 49 far 0 99 0 - 6.5-12.5 HB3 LYS 43 - HG3 LYS 49 far 0 100 0 - 7.2-14.7 HG LEU 45 - HG3 LYS 49 far 0 70 0 - 7.3-13.5 HB2 LYS 43 - HG3 LYS 49 far 0 96 0 - 7.8-15.6 HB3 LYS 43 - HG2 LYS 49 far 0 100 0 - 8.4-15.3 HB2 LYS 43 - HG2 LYS 49 far 0 96 0 - 9.1-16.4 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 2.6-3.0 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; 3.02 A increased from 2.55 A): 4 out of 7 assignments used, quality = 1.00: * HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 5.0-13.4 HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.1-13.5 HB2 ARG 30 - HG2 LYS 49 far 0 100 0 - 10.0-20.2 Violated in 0 structures by 0.00 A. Peak 4145 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 3.02 A increased from 2.55 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 * HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 52 - HG3 LYS 49 far 0 100 0 - 5.0-13.4 HB2 GLU 52 - HG2 LYS 49 far 0 100 0 - 6.1-13.5 HB2 ARG 30 - HG2 LYS 49 far 0 100 0 - 10.0-20.2 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: HE2 LYS 49 + HG2 LYS 49 OK 99 100 100 99 2.1-3.8 3.8=88, 1.8/4173=17...(29) HE3 LYS 49 + HG3 LYS 49 OK 89 100 90 99 2.3-4.2 3.8=88, 5.1/4140=25...(29) * HE2 LYS 49 + HG3 LYS 49 OK 80 100 80 99 2.1-4.2 3.8=88, 5.1/4140=25...(29) HE3 LYS 49 + HG2 LYS 49 OK 65 100 65 99 2.3-4.2 3.8=88, 1.8/4173=20...(29) HB2 PHE 51 - HG2 LYS 49 far 0 87 0 - 6.6-11.3 HB2 PHE 51 - HG3 LYS 49 far 0 87 0 - 6.9-10.7 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: HE2 LYS 49 + HG2 LYS 49 OK 99 100 100 99 2.1-3.8 3.8=88, 1.8/4173=17...(29) * HE3 LYS 49 + HG3 LYS 49 OK 89 100 90 99 2.3-4.2 3.8=88, 5.1/4140=25...(29) HE2 LYS 49 + HG3 LYS 49 OK 80 100 80 99 2.1-4.2 3.8=88, 5.1/4140=25...(29) HE3 LYS 49 + HG2 LYS 49 OK 65 100 65 99 2.3-4.2 3.8=88, 1.8/4173=20...(29) HB2 PHE 51 - HG2 LYS 49 far 0 87 0 - 6.6-11.3 HB2 PHE 51 - HG3 LYS 49 far 0 87 0 - 6.9-10.7 Violated in 0 structures by 0.00 A. Peak 4149 from cnoeabs.peaks (4.32, 1.65, 28.78 ppm; 4.83 A increased from 3.87 A): 2 out of 2 assignments used, quality = 0.99: HA LYS 49 + HD3 LYS 49 OK 95 100 95 100 2.0-5.0 5.1=84, 3.0/4161=50...(30) * HA LYS 49 + HD2 LYS 49 OK 85 100 85 100 3.1-5.5 5.1=84, 3.0/4114=47...(30) Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (1.90, 1.65, 28.78 ppm; 3.85 A increased from 3.08 A): 2 out of 16 assignments used, quality = 0.99: * HB2 LYS 49 + HD2 LYS 49 OK 90 100 90 100 2.3-4.2 3.9=96, 4140/3.0=56...(32) HB2 LYS 49 + HD3 LYS 49 OK 90 100 90 100 2.2-4.2 3.9=96, 4140/3.0=56...(32) HB3 LYS 44 - HD3 LYS 49 far 5 97 5 - 3.9-13.8 HB3 LYS 44 - HD2 LYS 49 far 0 97 0 - 4.1-14.6 HB2 LYS 44 - HD2 LYS 49 far 0 87 0 - 5.5-16.0 HB2 LYS 44 - HD3 LYS 49 far 0 87 0 - 5.5-14.8 HB2 LEU 45 - HD3 LYS 49 far 0 99 0 - 6.9-13.5 HB3 LYS 43 - HD2 LYS 49 far 0 100 0 - 7.0-16.1 HB2 LYS 43 - HD2 LYS 49 far 0 96 0 - 7.3-17.3 HG LEU 45 - HD2 LYS 49 far 0 70 0 - 7.4-15.5 HB2 LEU 45 - HD2 LYS 49 far 0 99 0 - 7.6-13.9 HG LEU 45 - HD3 LYS 49 far 0 70 0 - 7.9-14.8 HB3 LYS 43 - HD3 LYS 49 far 0 100 0 - 8.3-15.7 HB2 LYS 43 - HD3 LYS 49 far 0 96 0 - 8.5-16.7 HB2 LYS 73 - HD3 LYS 49 far 0 99 0 - 9.8-21.2 HB2 LYS 73 - HD2 LYS 49 far 0 99 0 - 9.9-20.1 Violated in 0 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (1.75, 1.65, 28.78 ppm; 3.49 A increased from 2.94 A): 2 out of 2 assignments used, quality = 0.98: HB3 LYS 49 + HD3 LYS 49 OK 95 100 95 100 2.2-3.6 3.9=72, 1.8/4115=43...(35) * HB3 LYS 49 + HD2 LYS 49 OK 70 100 70 100 2.1-3.9 3.9=72, 1.8/4115=43...(35) Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 3.15 A increased from 2.65 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 8.1-17.5 HG3 ARG 30 - HD2 LYS 49 far 0 98 0 - 8.1-19.9 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 8.5-16.5 HG LEU 4 - HD2 LYS 49 far 0 97 0 - 8.6-17.5 HG3 ARG 30 - HD3 LYS 49 far 0 98 0 - 9.2-20.0 HG LEU 4 - HD3 LYS 49 far 0 97 0 - 9.7-18.2 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 3.15 A increased from 2.65 A): 4 out of 10 assignments used, quality = 1.00: * HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 8.1-17.5 HG3 ARG 30 - HD2 LYS 49 far 0 98 0 - 8.1-19.9 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 8.5-16.5 HG LEU 4 - HD2 LYS 49 far 0 97 0 - 8.6-17.5 HG3 ARG 30 - HD3 LYS 49 far 0 98 0 - 9.2-20.0 HG LEU 4 - HD3 LYS 49 far 0 97 0 - 9.7-18.2 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 - HD3 LYS 49 far 0 87 0 - 6.7-12.2 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 7.1-12.1 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 - HD3 LYS 49 far 0 87 0 - 6.7-12.2 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 7.1-12.1 Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (4.32, 1.65, 28.78 ppm; 4.83 A increased from 3.87 A): 2 out of 2 assignments used, quality = 0.99: * HA LYS 49 + HD3 LYS 49 OK 95 100 95 100 2.0-5.0 5.1=84, 3.0/4161=50...(30) HA LYS 49 + HD2 LYS 49 OK 85 100 85 100 3.1-5.5 5.1=84, 3.0/4114=47...(30) Violated in 0 structures by 0.00 A. Peak 4160 from cnoeabs.peaks (1.90, 1.65, 28.78 ppm; 3.85 A increased from 3.08 A): 2 out of 16 assignments used, quality = 0.99: HB2 LYS 49 + HD2 LYS 49 OK 90 100 90 100 2.3-4.2 3.9=96, 4140/3.0=56...(32) * HB2 LYS 49 + HD3 LYS 49 OK 90 100 90 100 2.2-4.2 3.9=96, 4140/3.0=56...(32) HB3 LYS 44 - HD3 LYS 49 far 5 97 5 - 3.9-13.8 HB3 LYS 44 - HD2 LYS 49 far 0 97 0 - 4.1-14.6 HB2 LYS 44 - HD2 LYS 49 far 0 87 0 - 5.5-16.0 HB2 LYS 44 - HD3 LYS 49 far 0 87 0 - 5.5-14.8 HB2 LEU 45 - HD3 LYS 49 far 0 99 0 - 6.9-13.5 HB3 LYS 43 - HD2 LYS 49 far 0 100 0 - 7.0-16.1 HB2 LYS 43 - HD2 LYS 49 far 0 96 0 - 7.3-17.3 HG LEU 45 - HD2 LYS 49 far 0 70 0 - 7.4-15.5 HB2 LEU 45 - HD2 LYS 49 far 0 99 0 - 7.6-13.9 HG LEU 45 - HD3 LYS 49 far 0 70 0 - 7.9-14.8 HB3 LYS 43 - HD3 LYS 49 far 0 100 0 - 8.3-15.7 HB2 LYS 43 - HD3 LYS 49 far 0 96 0 - 8.5-16.7 HB2 LYS 73 - HD3 LYS 49 far 0 99 0 - 9.8-21.2 HB2 LYS 73 - HD2 LYS 49 far 0 99 0 - 9.9-20.1 Violated in 0 structures by 0.00 A. Peak 4161 from cnoeabs.peaks (1.75, 1.65, 28.78 ppm; 3.49 A increased from 2.94 A): 2 out of 2 assignments used, quality = 0.98: * HB3 LYS 49 + HD3 LYS 49 OK 95 100 95 100 2.2-3.6 3.9=72, 1.8/4115=43...(35) HB3 LYS 49 + HD2 LYS 49 OK 70 100 70 100 2.1-3.9 3.9=72, 1.8/4115=43...(35) Violated in 0 structures by 0.00 A. Peak 4162 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 3.15 A increased from 2.65 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 8.1-17.5 HG3 ARG 30 - HD2 LYS 49 far 0 98 0 - 8.1-19.9 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 8.5-16.5 HG LEU 4 - HD2 LYS 49 far 0 97 0 - 8.6-17.5 HG3 ARG 30 - HD3 LYS 49 far 0 98 0 - 9.2-20.0 HG LEU 4 - HD3 LYS 49 far 0 97 0 - 9.7-18.2 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 3.15 A increased from 2.65 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 * HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 74 - HD3 LYS 49 far 0 96 0 - 8.1-17.5 HG3 ARG 30 - HD2 LYS 49 far 0 98 0 - 8.1-19.9 HB2 LEU 74 - HD2 LYS 49 far 0 96 0 - 8.5-16.5 HG LEU 4 - HD2 LYS 49 far 0 97 0 - 8.6-17.5 HG3 ARG 30 - HD3 LYS 49 far 0 98 0 - 9.2-20.0 HG LEU 4 - HD3 LYS 49 far 0 97 0 - 9.7-18.2 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 - HD3 LYS 49 far 0 87 0 - 6.7-12.2 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 7.1-12.1 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 - HD3 LYS 49 far 0 87 0 - 6.7-12.2 HB2 PHE 51 - HD2 LYS 49 far 0 87 0 - 7.1-12.1 Violated in 0 structures by 0.00 A. Peak 4170 from cnoeabs.peaks (1.90, 3.02, 41.78 ppm; 4.54 A increased from 4.28 A): 4 out of 23 assignments used, quality = 0.99: HB2 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.2-5.5 5.1=69, 4140/3.8=57...(27) * HB2 LYS 49 + HE2 LYS 49 OK 70 100 70 100 2.4-5.1 5.1=69, 4140/3.8=57...(27) HB3 LYS 123 + HE2 LYS 123 OK 69 76 90 100 3.9-5.1 5.1=72, 7093/3.0=67...(21) HB3 LYS 123 + HE3 LYS 123 OK 63 70 90 100 4.1-4.7 2.9/7142=89, 5.1=72...(19) HB2 ARG 95 - HE2 LYS 94 poor 20 98 20 - 4.1-8.0 HB3 LYS 44 - HE3 LYS 49 far 5 97 5 - 3.9-14.7 HB2 LYS 44 - HE3 LYS 49 far 4 87 5 - 4.4-16.1 HB3 LYS 44 - HE2 LYS 49 far 0 97 0 - 5.0-14.3 HB2 LYS 44 - HE2 LYS 49 far 0 87 0 - 5.3-15.2 HG LEU 45 - HE3 LYS 49 far 0 70 0 - 6.0-15.9 HB2 LEU 45 - HE3 LYS 49 far 0 99 0 - 6.1-14.7 HG LEU 45 - HE2 LYS 49 far 0 70 0 - 7.0-15.8 HB3 LYS 43 - HE2 LYS 49 far 0 100 0 - 7.5-17.2 HB2 LYS 96 - HE2 LYS 94 far 0 98 0 - 7.6-11.5 HB2 LEU 45 - HE2 LYS 49 far 0 99 0 - 7.7-14.5 HB2 LYS 43 - HE2 LYS 49 far 0 96 0 - 8.4-18.1 HB3 LYS 43 - HE3 LYS 49 far 0 100 0 - 8.6-16.9 HB2 LYS 43 - HE3 LYS 49 far 0 96 0 - 9.2-18.0 HB2 LYS 73 - HE3 LYS 49 far 0 99 0 - 9.2-21.3 HG2 MET 121 - HE2 LYS 123 far 0 65 0 - 9.4-11.7 HB2 LYS 73 - HE2 LYS 49 far 0 99 0 - 9.5-21.7 HG2 MET 121 - HE3 LYS 123 far 0 58 0 - 9.5-11.9 HB3 LYS 73 - HE3 LYS 49 far 0 99 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 4171 from cnoeabs.peaks (1.75, 3.02, 41.78 ppm; 3.83 A): 4 out of 10 assignments used, quality = 1.00: 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 49 + HE3 LYS 49 OK 55 100 55 99 2.0-4.9 5.1=42, 4151/3.0=37...(29) * HB3 LYS 49 + HE2 LYS 49 OK 55 100 55 99 2.2-4.7 5.1=42, 4151/3.0=37...(29) HB3 LYS 94 - HE2 LYS 94 poor 16 54 30 - 3.2-5.2 HG3 ARG 105 - HE2 LYS 94 far 0 98 0 - 6.5-10.4 HG3 ARG 105 - HE2 LYS 123 far 0 99 0 - 6.9-11.8 HB3 LEU 82 - HE2 LYS 94 far 0 58 0 - 7.8-9.8 HG3 ARG 105 - HE3 LYS 123 far 0 95 0 - 8.6-11.6 HB2 LEU 80 - HE2 LYS 94 far 0 98 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4172 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.76 A increased from 3.16 A): 4 out of 11 assignments used, quality = 1.00: * HG2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=94, 1.8/4136=18...(29) HG3 LYS 49 + HE3 LYS 49 OK 90 100 90 100 2.3-4.2 3.8=94, 4130/5.1=26...(29) HG3 LYS 49 + HE2 LYS 49 OK 85 100 85 100 2.1-4.2 3.8=94, 4130/5.1=26...(29) HG2 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.3-4.2 3.8=94, 4137/1.8=23...(29) HG2 LYS 106 - HE2 LYS 94 far 10 98 10 - 3.5-6.2 HG3 ARG 30 - HE2 LYS 49 far 0 98 0 - 7.1-21.1 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 7.3-18.4 HB2 LEU 74 - HE2 LYS 49 far 0 96 0 - 7.7-17.9 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 7.9-10.1 HG3 ARG 30 - HE3 LYS 49 far 0 98 0 - 8.3-21.3 HG2 LYS 96 - HE2 LYS 94 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.76 A increased from 3.16 A): 4 out of 11 assignments used, quality = 1.00: HG2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=94, 1.8/4136=18...(29) HG3 LYS 49 + HE3 LYS 49 OK 90 100 90 100 2.3-4.2 3.8=94, 4130/5.1=26...(29) * HG3 LYS 49 + HE2 LYS 49 OK 85 100 85 100 2.1-4.2 3.8=94, 4130/5.1=26...(29) HG2 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.3-4.2 3.8=94, 4137/1.8=23...(29) HG2 LYS 106 - HE2 LYS 94 far 10 98 10 - 3.5-6.2 HG3 ARG 30 - HE2 LYS 49 far 0 98 0 - 7.1-21.1 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 7.3-18.4 HB2 LEU 74 - HE2 LYS 49 far 0 96 0 - 7.7-17.9 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 7.9-10.1 HG3 ARG 30 - HE3 LYS 49 far 0 98 0 - 8.3-21.3 HG2 LYS 96 - HE2 LYS 94 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 3.08 A increased from 2.73 A): 4 out of 11 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 90 - HE2 LYS 94 far 0 77 0 - 4.4-6.5 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 6.3-15.2 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.1-15.3 HB2 ARG 30 - HE2 LYS 49 far 0 100 0 - 8.6-22.0 HB2 ARG 30 - HE3 LYS 49 far 0 100 0 - 9.3-21.9 HD3 LYS 115 - HE3 LYS 123 far 0 92 0 - 9.6-13.1 HD3 LYS 115 - HE2 LYS 123 far 0 98 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 3.08 A increased from 2.73 A): 4 out of 11 assignments used, quality = 1.00: * HD3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 90 - HE2 LYS 94 far 0 77 0 - 4.4-6.5 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 6.3-15.2 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.1-15.3 HB2 ARG 30 - HE2 LYS 49 far 0 100 0 - 8.6-22.0 HB2 ARG 30 - HE3 LYS 49 far 0 100 0 - 9.3-21.9 HD3 LYS 115 - HE3 LYS 123 far 0 92 0 - 9.6-13.1 HD3 LYS 115 - HE2 LYS 123 far 0 98 0 - 9.8-12.6 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; 4.54 A increased from 4.28 A): 4 out of 23 assignments used, quality = 0.99: * HB2 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.2-5.5 5.1=69, 4140/3.8=57...(27) HB2 LYS 49 + HE2 LYS 49 OK 70 100 70 100 2.4-5.1 5.1=69, 4140/3.8=57...(27) HB3 LYS 123 + HE2 LYS 123 OK 69 76 90 100 3.9-5.1 5.1=72, 7093/3.0=67...(21) HB3 LYS 123 + HE3 LYS 123 OK 63 70 90 100 4.1-4.7 2.9/7142=89, 5.1=72...(19) HB2 ARG 95 - HE2 LYS 94 poor 20 98 20 - 4.1-8.0 HB3 LYS 44 - HE3 LYS 49 far 5 97 5 - 3.9-14.7 HB2 LYS 44 - HE3 LYS 49 far 4 87 5 - 4.4-16.1 HB3 LYS 44 - HE2 LYS 49 far 0 97 0 - 5.0-14.3 HB2 LYS 44 - HE2 LYS 49 far 0 87 0 - 5.3-15.2 HG LEU 45 - HE3 LYS 49 far 0 70 0 - 6.0-15.9 HB2 LEU 45 - HE3 LYS 49 far 0 99 0 - 6.1-14.7 HG LEU 45 - HE2 LYS 49 far 0 70 0 - 7.0-15.8 HB3 LYS 43 - HE2 LYS 49 far 0 100 0 - 7.5-17.2 HB2 LYS 96 - HE2 LYS 94 far 0 98 0 - 7.6-11.5 HB2 LEU 45 - HE2 LYS 49 far 0 99 0 - 7.7-14.5 HB2 LYS 43 - HE2 LYS 49 far 0 96 0 - 8.4-18.1 HB3 LYS 43 - HE3 LYS 49 far 0 100 0 - 8.6-16.9 HB2 LYS 43 - HE3 LYS 49 far 0 96 0 - 9.2-18.0 HB2 LYS 73 - HE3 LYS 49 far 0 99 0 - 9.2-21.3 HG2 MET 121 - HE2 LYS 123 far 0 65 0 - 9.4-11.7 HB2 LYS 73 - HE2 LYS 49 far 0 99 0 - 9.5-21.7 HG2 MET 121 - HE3 LYS 123 far 0 58 0 - 9.5-11.9 HB3 LYS 73 - HE3 LYS 49 far 0 99 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (1.75, 3.02, 41.78 ppm; 3.83 A): 4 out of 10 assignments used, quality = 1.00: 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 49 + HE3 LYS 49 OK 55 100 55 99 2.0-4.9 5.1=42, 4151/3.0=37...(29) HB3 LYS 49 + HE2 LYS 49 OK 55 100 55 99 2.2-4.7 5.1=42, 4151/3.0=37...(29) HB3 LYS 94 - HE2 LYS 94 poor 16 54 30 - 3.2-5.2 HG3 ARG 105 - HE2 LYS 94 far 0 98 0 - 6.5-10.4 HG3 ARG 105 - HE2 LYS 123 far 0 99 0 - 6.9-11.8 HB3 LEU 82 - HE2 LYS 94 far 0 58 0 - 7.8-9.8 HG3 ARG 105 - HE3 LYS 123 far 0 95 0 - 8.6-11.6 HB2 LEU 80 - HE2 LYS 94 far 0 98 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.76 A increased from 3.16 A): 4 out of 11 assignments used, quality = 1.00: HG2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=94, 1.8/4136=18...(29) HG3 LYS 49 + HE3 LYS 49 OK 90 100 90 100 2.3-4.2 3.8=94, 4130/5.1=26...(29) HG3 LYS 49 + HE2 LYS 49 OK 85 100 85 100 2.1-4.2 3.8=94, 4130/5.1=26...(29) * HG2 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.3-4.2 3.8=94, 4137/1.8=23...(29) HG2 LYS 106 - HE2 LYS 94 far 10 98 10 - 3.5-6.2 HG3 ARG 30 - HE2 LYS 49 far 0 98 0 - 7.1-21.1 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 7.3-18.4 HB2 LEU 74 - HE2 LYS 49 far 0 96 0 - 7.7-17.9 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 7.9-10.1 HG3 ARG 30 - HE3 LYS 49 far 0 98 0 - 8.3-21.3 HG2 LYS 96 - HE2 LYS 94 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.76 A increased from 3.16 A): 4 out of 11 assignments used, quality = 1.00: HG2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.1-3.8 3.8=94, 1.8/4136=18...(29) * HG3 LYS 49 + HE3 LYS 49 OK 90 100 90 100 2.3-4.2 3.8=94, 4130/5.1=26...(29) HG3 LYS 49 + HE2 LYS 49 OK 85 100 85 100 2.1-4.2 3.8=94, 4130/5.1=26...(29) HG2 LYS 49 + HE3 LYS 49 OK 85 100 85 100 2.3-4.2 3.8=94, 4137/1.8=23...(29) HG2 LYS 106 - HE2 LYS 94 far 10 98 10 - 3.5-6.2 HG3 ARG 30 - HE2 LYS 49 far 0 98 0 - 7.1-21.1 HB2 LEU 74 - HE3 LYS 49 far 0 96 0 - 7.3-18.4 HB2 LEU 74 - HE2 LYS 49 far 0 96 0 - 7.7-17.9 HG LEU 80 - HE2 LYS 94 far 0 66 0 - 7.9-10.1 HG3 ARG 30 - HE3 LYS 49 far 0 98 0 - 8.3-21.3 HG2 LYS 96 - HE2 LYS 94 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4184 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 3.08 A increased from 2.73 A): 4 out of 11 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 90 - HE2 LYS 94 far 0 77 0 - 4.4-6.5 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 6.3-15.2 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.1-15.3 HB2 ARG 30 - HE2 LYS 49 far 0 100 0 - 8.6-22.0 HB2 ARG 30 - HE3 LYS 49 far 0 100 0 - 9.3-21.9 HD3 LYS 115 - HE3 LYS 123 far 0 92 0 - 9.6-13.1 HD3 LYS 115 - HE2 LYS 123 far 0 98 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 3.08 A increased from 2.73 A): 4 out of 11 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 90 - HE2 LYS 94 far 0 77 0 - 4.4-6.5 HB2 GLU 52 - HE2 LYS 49 far 0 100 0 - 6.3-15.2 HB2 GLU 52 - HE3 LYS 49 far 0 100 0 - 7.1-15.3 HB2 ARG 30 - HE2 LYS 49 far 0 100 0 - 8.6-22.0 HB2 ARG 30 - HE3 LYS 49 far 0 100 0 - 9.3-21.9 HD3 LYS 115 - HE3 LYS 123 far 0 92 0 - 9.6-13.1 HD3 LYS 115 - HE2 LYS 123 far 0 98 0 - 9.8-12.6 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 2.4-3.0 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 - 9.0-13.2 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 2.4-3.0 3.0=100 HE3 LYS 53 - HA ASN 50 far 0 92 0 - 9.0-13.2 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 2.4-3.0 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 0 99 0 - 8.3-12.7 H ALA 46 - HB3 ASN 50 far 0 99 0 - 8.7-12.5 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 2.4-3.0 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 - HB2 ASN 50 far 0 99 0 - 8.3-12.7 H ALA 46 - HB3 ASN 50 far 0 99 0 - 8.7-12.5 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 2.3-2.9 2.9=100 H GLN 28 - HA PHE 51 far 0 100 0 - 9.9-11.1 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 HE3 LYS 49 - HA PHE 51 far 0 87 0 - 6.4-12.6 HE2 LYS 49 - HA PHE 51 far 0 87 0 - 6.5-11.9 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 2.2-3.8 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 1 assignment used, quality = 1.00: * HA PHE 51 + HB2 PHE 51 OK 100 100 100 100 2.3-3.0 3.0=100 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 HE3 LYS 106 - HB3 PHE 93 far 0 67 0 - 7.9-9.9 HE2 LYS 106 - HB3 PHE 93 far 0 64 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (7.12, 3.03, 38.98 ppm; 4.03 A): 1 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 far 0 70 0 - 4.4-4.4 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 1 assignment used, quality = 1.00: * H PHE 51 + HB3 PHE 51 OK 100 100 100 100 2.4-3.9 4.0=100 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 HE3 LYS 49 - HB3 PHE 51 far 0 87 0 - 5.0-13.4 HE2 LYS 49 - HB3 PHE 51 far 0 87 0 - 6.3-13.4 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 2.3-2.8 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 far 4 81 5 - 4.5-12.3 HE3 LYS 49 - QD PHE 51 far 0 81 0 - 5.5-12.7 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 2.3-2.8 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 3 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 - 6.1-14.3 HD3 LYS 49 - HA GLU 52 far 0 100 0 - 7.1-14.5 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 2 assignments used, quality = 1.00: * HB3 GLU 52 + HA GLU 52 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 128 - HA GLU 52 far 0 100 0 - 7.2-9.4 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 1 assignment used, quality = 1.00: * HG2 GLU 52 + HA GLU 52 OK 100 100 100 100 2.4-3.7 4.0=99, 1.8/4258=79, 4.9/309=41 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 HB2 GLN 28 - HA GLU 52 far 0 65 0 - 6.4-7.8 HB2 MET 1 - HA GLU 52 far 0 81 0 - 6.7-9.8 HB3 GLU 48 - HA GLU 52 far 0 99 0 - 6.9-13.4 HB2 GLU 48 - HA GLU 52 far 0 99 0 - 8.3-14.6 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 3 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 - 7.9-14.1 HA GLU 47 - HB2 GLU 52 far 0 96 0 - 9.9-15.4 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 2 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 0 100 0 - 8.9-12.3 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 1 assignment used, quality = 1.00: * HG2 GLU 52 + HB2 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 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 2.4-3.0 3.0=100 HB3 GLU 48 - HB2 GLU 52 far 5 99 5 - 4.2-13.5 HB2 GLU 48 - HB2 GLU 52 far 0 99 0 - 5.6-13.7 HB2 GLN 28 - HB2 GLU 52 far 0 65 0 - 5.7-7.5 HB2 MET 1 - HB2 GLU 52 far 0 81 0 - 7.9-11.1 HB2 GLU 47 - HB2 GLU 52 far 0 87 0 - 9.5-14.0 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 2 assignments used, quality = 1.00: * HA GLU 52 + HB3 GLU 52 OK 100 100 100 100 2.5-3.0 3.0=100 HA ALA 46 - HB3 GLU 52 far 0 98 0 - 9.0-13.5 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 5 100 5 - 3.4-13.7 HD3 LYS 49 - HB3 GLU 52 far 0 100 0 - 4.5-14.2 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 1 assignment used, quality = 1.00: * HG2 GLU 52 + HB3 GLU 52 OK 100 100 100 100 2.3-3.0 3.0=100 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 6 assignments used, quality = 1.00: * HG3 GLU 52 + HB3 GLU 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 48 - HB3 GLU 52 far 0 99 0 - 4.7-12.7 HB2 GLN 28 - HB3 GLU 52 far 0 65 0 - 4.9-6.0 HB2 GLU 48 - HB3 GLU 52 far 0 99 0 - 6.0-12.6 HB2 MET 1 - HB3 GLU 52 far 0 81 0 - 8.1-11.8 HB2 GLU 47 - HB3 GLU 52 far 0 87 0 - 9.9-13.7 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 2 assignments used, quality = 1.00: * HA GLU 52 + HG2 GLU 52 OK 100 100 100 100 2.4-3.7 4.0=100 HA ALA 46 - HG2 GLU 52 far 0 98 0 - 9.2-14.9 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 3 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 - 5.6-15.7 HD3 LYS 49 - HG2 GLU 52 far 0 100 0 - 6.8-15.4 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 2 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 - 8.6-12.5 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 5 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 - 4.1-8.3 HB3 GLU 48 - HG2 GLU 52 far 0 99 0 - 4.7-13.2 HB2 GLU 48 - HG2 GLU 52 far 0 99 0 - 6.2-14.4 HB2 MET 1 - HG2 GLU 52 far 0 81 0 - 8.0-11.7 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 1 assignment used, quality = 1.00: * HA GLU 52 + HG3 GLU 52 OK 100 100 100 100 2.2-3.8 4.0=100 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 2.4-3.0 3.0=100 HD2 LYS 49 - HG3 GLU 52 far 0 100 0 - 6.2-15.7 HD3 LYS 49 - HG3 GLU 52 far 0 100 0 - 7.0-15.0 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 2 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 - 8.5-11.6 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 2.2-4.0 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 2.4-3.0 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 2.3-3.0 2.8=100 QG2 ILE 3 + HB2 LYS 53 OK 67 92 75 98 3.6-6.0 ~11244=47, 9004/3.0=44...(8) HG2 LYS 2 - HB2 LYS 53 far 0 61 0 - 5.8-9.6 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 2.4-3.0 2.8=100 QD2 LEU 127 - HB2 LYS 53 far 0 99 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (1.27, 0.11, 31.45 ppm; 6.10 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.4-4.2 3.7=100 HD2 LYS 2 - HB2 LYS 53 far 0 97 0 - 6.7-10.7 HG12 ILE 54 - HB2 LYS 53 far 0 61 0 - 6.9-7.7 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 - 8.5-10.3 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): 1 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 far 9 92 10 - 3.1-6.0 HG2 LYS 2 - HB3 LYS 53 far 0 61 0 - 5.9-9.6 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 - 9.8-11.9 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 2.1-3.8 3.7=100 HG2 ARG 30 - HB3 LYS 53 far 0 70 0 - 8.5-10.1 HB3 LEU 45 - HB3 LYS 53 far 0 98 0 - 9.9-11.9 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 2.2-3.8 3.7=100 HD2 LYS 2 - HB3 LYS 53 far 0 97 0 - 6.7-10.3 HG12 ILE 54 - HB3 LYS 53 far 0 61 0 - 6.9-7.4 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 far 0 100 0 - 6.5-8.9 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 1.9-4.3 4.7=100 H GLY 125 - HG2 LYS 53 far 0 84 0 - 6.5-9.7 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 2.8-3.8 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 2.3-3.0 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 - 8.6-11.7 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 2 assignments used, quality = 1.00: * HD2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 30 - HG2 LYS 53 far 0 70 0 - 9.1-11.6 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 2.3-3.0 3.0=100 HD2 LYS 2 - HG2 LYS 53 far 0 97 0 - 7.0-11.0 HG12 ILE 54 - HG2 LYS 53 far 0 61 0 - 7.2-8.9 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 2.4-4.2 3.6=100 HG3 MET 121 - HG2 LYS 53 far 10 100 10 - 5.7-10.1 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 2.3-3.8 3.6=100 HB3 ASN 50 - HG2 LYS 53 far 0 92 0 - 8.3-13.5 HB2 ASN 50 - HG2 LYS 53 far 0 90 0 - 9.6-14.0 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 2.3-4.2 4.7=100 H GLY 125 - HG3 LYS 53 far 0 84 0 - 7.1-9.0 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): 1 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 far 14 92 15 - 2.9-5.2 HG2 LYS 2 - HG3 LYS 53 far 0 61 0 - 5.9-8.9 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 - 8.6-11.3 HB3 LEU 45 - HG3 LYS 53 far 0 98 0 - 9.8-11.7 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 HD2 LYS 2 - HG3 LYS 53 far 0 97 0 - 6.3-9.9 HG12 ILE 54 - HG3 LYS 53 far 0 61 0 - 7.5-7.9 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 2.3-4.2 3.6=100 HG3 MET 121 - HG3 LYS 53 far 0 100 0 - 7.1-9.5 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 2.2-3.8 3.6=100 HB3 ASN 50 - HG3 LYS 53 far 0 92 0 - 8.0-12.3 HB2 ASN 50 - HG3 LYS 53 far 0 90 0 - 8.4-12.9 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 2.3-3.9 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 2.1-3.8 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 2.4-3.0 3.0=100 QG2 ILE 3 - HD2 LYS 53 far 5 92 5 - 3.7-6.1 HG2 LYS 2 - HD2 LYS 53 far 0 61 0 - 6.1-10.9 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 - 9.1-11.0 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 HD2 LYS 2 - HD2 LYS 53 far 0 97 0 - 6.4-12.5 HG12 ILE 54 - HD2 LYS 53 far 0 61 0 - 7.4-9.7 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 0 100 0 - 5.3-10.2 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 2.4-3.0 3.0=100 HB2 ASN 50 - HD2 LYS 53 far 0 90 0 - 7.8-13.1 HB3 ASN 50 - HD2 LYS 53 far 0 92 0 - 8.0-12.2 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 2.4-4.2 3.7=100 HB2 LYS 53 - HD2 LYS 2 far 0 93 0 - 6.7-10.7 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 2.2-3.8 3.7=100 HB3 LYS 53 - HD2 LYS 2 far 0 93 0 - 6.7-10.3 Violated in 4 structures by 0.01 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 2.3-3.0 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 far 0 92 0 - 3.7-6.0 QG2 ILE 3 - HD2 LYS 2 far 0 82 0 - 5.3-8.1 HG2 LYS 53 - HD2 LYS 2 far 0 93 0 - 7.0-11.0 HG2 LYS 2 - HD3 LYS 53 far 0 61 0 - 7.3-11.0 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 3 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 - 6.3-9.9 QD2 LEU 127 - HD3 LYS 53 far 0 99 0 - 8.2-11.0 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 5 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 17 89 40 49 2.4-5.1 3.1/9470=15, ~9437=11...(7) HB2 LEU 74 - HD2 LYS 2 far 0 70 0 - 5.6-8.1 HD2 LYS 53 - HD2 LYS 2 far 0 93 0 - 6.4-12.5 HG2 ARG 30 - HD2 LYS 2 far 0 60 0 - 8.2-11.3 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 0 100 0 - 5.6-9.6 HE2 LYS 53 - HD2 LYS 2 far 0 93 0 - 7.2-12.9 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 2.4-3.0 3.0=100 HB3 ASN 50 - HD2 LYS 2 far 0 82 0 - 5.1-10.4 HB2 ASN 50 - HD2 LYS 2 far 0 79 0 - 5.4-10.7 HE3 LYS 53 - HD2 LYS 2 far 0 93 0 - 6.0-11.8 HB2 ASN 50 - HD3 LYS 53 far 0 90 0 - 8.7-13.9 HB3 ASN 50 - HD3 LYS 53 far 0 92 0 - 9.4-13.1 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): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.4-4.2 3.6=100 QG2 ILE 3 - HE2 LYS 53 far 9 92 10 - 4.4-6.9 HG2 LYS 2 - HE2 LYS 53 far 0 61 0 - 6.8-11.0 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 2.3-4.2 3.6=100 QD2 LEU 127 - HE2 LYS 53 far 0 99 0 - 8.3-11.9 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 HD2 LYS 2 - HE2 LYS 53 far 0 97 0 - 7.2-12.9 HG12 ILE 54 - HE2 LYS 53 far 0 61 0 - 8.1-11.2 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 HB2 ASN 50 - HE2 LYS 53 far 0 90 0 - 8.8-13.8 HB3 ASN 50 - HE2 LYS 53 far 0 92 0 - 9.0-12.6 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 2.2-4.8 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 2.1-4.2 4.7=67, 1341/7.0=20 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 2.3-3.8 3.6=100 QG2 ILE 3 - HE3 LYS 53 far 0 92 0 - 4.7-6.7 HG2 LYS 2 - HE3 LYS 53 far 0 61 0 - 5.9-10.9 Violated in 1 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 2.2-3.8 3.6=100 QD2 LEU 127 - HE3 LYS 53 far 0 99 0 - 8.6-11.6 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 2 assignments used, quality = 1.00: * HD2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 45 - HE3 LYS 53 far 0 98 0 - 9.0-14.4 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 2.4-3.0 3.0=100 HD2 LYS 2 - HE3 LYS 53 far 0 97 0 - 6.0-11.8 HG12 ILE 54 - HE3 LYS 53 far 0 61 0 - 7.0-10.6 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 - 7.1-10.9 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): 1 out of 3 assignments used, quality = 1.00: * HB ILE 54 + HA ILE 54 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 56 - HA ILE 54 far 0 97 0 - 7.6-7.9 HD2 LYS 44 - HA ILE 54 far 0 61 0 - 8.7-13.0 Violated in 0 structures by 0.00 A. Peak 4372 from cnoeabs.peaks (0.75, 4.85, 59.26 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 54 + HA ILE 54 OK 100 100 100 100 2.2-2.4 3.2=100 QD2 LEU 55 + HA ILE 54 OK 88 92 100 96 5.9-6.1 4.7/325=92, 3.1/9514=40 QD1 LEU 45 - HA ILE 54 far 10 96 10 - 6.2-7.1 QD2 LEU 6 - HA ILE 54 far 0 90 0 - 8.4-8.9 QG2 VAL 32 - HA ILE 54 far 0 70 0 - 8.5-9.2 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 3 assignments used, quality = 1.00: * HG12 ILE 54 + HA ILE 54 OK 100 100 100 100 3.7-3.8 4.1=100 HD2 LYS 2 - HA ILE 54 far 0 87 0 - 6.3-9.4 HD3 LYS 53 - HA ILE 54 far 0 61 0 - 6.8-8.1 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 3.0-3.2 4.1=100 QG2 VAL 29 - HA ILE 54 far 0 77 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (0.64, 4.85, 59.26 ppm; 6.07 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + HA ILE 54 OK 100 100 100 100 2.0-2.2 4.2=100 QD1 LEU 4 + HA ILE 54 OK 68 97 70 100 5.8-6.4 ~10734=82, ~11714=74...(8) QD1 ILE 5 - HA ILE 54 far 0 90 0 - 7.3-8.2 QG1 VAL 22 - HA ILE 54 far 0 100 0 - 7.7-8.3 QD1 ILE 71 - HA ILE 54 far 0 61 0 - 8.9-9.5 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 2.6-2.8 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 3.0-3.0 3.0=100 HA ILE 5 - HB ILE 54 far 0 84 0 - 8.0-8.6 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): 1 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 far 0 96 0 - 3.7-4.6 QD2 LEU 55 - HB ILE 54 far 0 92 0 - 6.7-7.0 QD2 LEU 6 - HB ILE 54 far 0 90 0 - 7.2-7.8 QG2 VAL 32 - HB ILE 54 far 0 70 0 - 7.5-8.2 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 2.4-2.5 3.0=100 HD2 LYS 2 - HB ILE 54 poor 17 87 20 - 3.9-7.0 HD3 LYS 53 - HB ILE 54 far 0 61 0 - 8.2-9.3 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 2.4-2.5 3.0=100 QG2 VAL 29 - HB ILE 54 far 0 77 0 - 7.9-8.4 QD1 LEU 70 - HB ILE 54 far 0 99 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (0.64, 1.68, 41.95 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + HB ILE 54 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 LEU 4 - HB ILE 54 far 15 97 15 - 3.2-4.1 QD1 ILE 71 - HB ILE 54 far 0 61 0 - 6.9-7.6 QD1 ILE 5 - HB ILE 54 far 0 90 0 - 7.4-8.3 QG1 VAL 22 - HB ILE 54 far 0 100 0 - 9.4-10.0 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 3.8-3.9 4.0=100 H SER 58 - QG2 ILE 54 far 0 98 0 - 8.9-9.4 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 2.2-2.4 3.2=100 HA ILE 5 - QG2 ILE 54 far 0 84 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 4385 from cnoeabs.peaks (1.68, 0.75, 17.84 ppm; 3.23 A): 1 out of 5 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 far 0 97 0 - 5.1-5.2 HD2 LYS 44 - QG2 ILE 54 far 0 61 0 - 5.6-9.0 HG12 ILE 71 - QG2 ILE 54 far 0 87 0 - 8.0-9.0 HD3 LYS 40 - QG2 ILE 54 far 0 100 0 - 9.9-12.4 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 2.2-2.4 3.2=100 HD2 LYS 2 - QG2 ILE 54 far 0 87 0 - 4.9-7.5 HD3 LYS 53 - QG2 ILE 54 far 0 61 0 - 8.0-9.0 HG13 ILE 7 - QG2 ILE 54 far 0 99 0 - 9.3-9.9 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 3.2-3.2 3.2=100 QG2 VAL 29 - QG2 ILE 54 far 0 77 0 - 5.3-5.9 QD1 LEU 70 - QG2 ILE 54 far 0 99 0 - 7.9-8.9 QD2 LEU 70 - QG2 ILE 54 far 0 96 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 4389 from cnoeabs.peaks (0.64, 0.75, 17.84 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 54 + QG2 ILE 54 OK 100 100 100 100 1.9-2.1 4407=100, 2.1/4393=48...(10) QD1 LEU 4 - QG2 ILE 54 far 0 97 0 - 3.6-4.9 QD1 ILE 71 - QG2 ILE 54 far 0 61 0 - 6.4-7.2 QD1 ILE 5 - QG2 ILE 54 far 0 90 0 - 7.1-7.6 QG1 VAL 22 - QG2 ILE 54 far 0 100 0 - 7.3-8.0 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 4.0-4.3 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 3.7-3.8 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 3 assignments used, quality = 1.00: * HB ILE 54 + HG12 ILE 54 OK 100 100 100 100 2.4-2.5 3.0=100 HD2 LYS 44 - HG12 ILE 54 far 0 61 0 - 5.2-9.5 HB ILE 56 - HG12 ILE 54 far 0 97 0 - 8.4-9.1 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 2.2-2.4 3.2=91, 4407/2.1=79...(7) QD1 LEU 45 - HG12 ILE 54 far 0 96 0 - 4.2-5.2 QG2 VAL 32 - HG12 ILE 54 far 0 70 0 - 8.2-8.8 QD2 LEU 55 - HG12 ILE 54 far 0 92 0 - 8.3-8.5 QD2 LEU 6 - HG12 ILE 54 far 0 90 0 - 9.0-9.6 Violated in 0 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 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 4396 from cnoeabs.peaks (0.64, 1.25, 27.42 ppm; 3.57 A): 1 out of 4 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 far 0 97 0 - 4.6-5.4 QD1 ILE 71 - HG12 ILE 54 far 0 61 0 - 8.6-9.3 QD1 ILE 5 - HG12 ILE 54 far 0 90 0 - 9.3-10.1 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 3.0-3.2 4.1=100 HA ILE 5 - HG13 ILE 54 far 0 84 0 - 9.8-10.3 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 6 assignments used, quality = 1.00: * HB ILE 54 + HG13 ILE 54 OK 100 100 100 100 2.4-2.5 3.0=100 HD2 LYS 96 - HG13 ILE 97 poor 10 52 40 50 3.5-6.4 ~10127=32, 7800/4.8=26 HD3 LYS 96 - HG13 ILE 97 poor 8 52 40 39 3.2-7.1 ~10127=32, 7801/4.8=10 HD2 LYS 44 - HG13 ILE 54 far 0 61 0 - 6.6-11.1 HG3 ARG 95 - HG13 ILE 97 far 0 48 0 - 7.0-10.0 HB ILE 56 - HG13 ILE 54 far 0 97 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 4400 from cnoeabs.peaks (0.75, 0.91, 27.42 ppm; 3.90 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 54 + HG13 ILE 54 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 LEU 45 - HG13 ILE 54 far 0 96 0 - 4.8-5.8 QD2 LEU 55 - HG13 ILE 54 far 0 92 0 - 8.2-8.4 QD2 LEU 6 - HG13 ILE 97 far 0 41 0 - 8.3-9.6 QG2 VAL 32 - HG13 ILE 54 far 0 70 0 - 9.2-9.9 QD2 LEU 6 - HG13 ILE 54 far 0 90 0 - 9.3-9.9 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 4 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 far 0 87 0 - 3.5-6.6 HD3 LYS 53 - HG13 ILE 54 far 0 61 0 - 7.1-8.4 HG3 LYS 61 - HG13 ILE 97 far 0 46 0 - 7.7-10.9 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): 1 out of 5 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 far 0 97 0 - 4.8-5.5 QD1 ILE 71 - HG13 ILE 97 far 0 25 0 - 8.4-9.7 QD1 ILE 5 - HG13 ILE 54 far 0 90 0 - 8.4-9.1 QD1 ILE 71 - HG13 ILE 54 far 0 61 0 - 8.7-9.6 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 3 assignments used, quality = 1.00: * H ILE 54 + QD1 ILE 54 OK 100 100 100 100 3.4-3.8 1354=100, 1353/2.1=71...(10) H ILE 54 - QD1 ILE 5 far 0 78 0 - 6.2-7.0 H SER 58 - QD1 ILE 5 far 0 74 0 - 9.5-10.3 Violated in 0 structures by 0.00 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 2.0-2.2 4.2=83, 3.2/4407=81...(11) HA ILE 5 + QD1 ILE 5 OK 58 59 100 98 1.9-2.2 4.2=84, 3.0/13=54...(9) HA ILE 54 - QD1 ILE 5 far 0 78 0 - 7.3-8.2 HA ILE 5 - QD1 ILE 54 far 0 84 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (1.68, 0.64, 13.41 ppm; 3.34 A increased from 3.14 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 54 + QD1 ILE 54 OK 100 100 100 100 3.2-3.2 3.2=100 HD2 LYS 44 - QD1 ILE 54 far 0 61 0 - 5.2-8.8 HB ILE 56 - QD1 ILE 5 far 0 72 0 - 6.7-7.7 HB ILE 54 - QD1 ILE 5 far 0 78 0 - 7.4-8.3 HG3 LYS 123 - QD1 ILE 5 far 0 47 0 - 7.5-8.5 HB ILE 56 - QD1 ILE 54 far 0 97 0 - 7.8-8.1 HG12 ILE 71 - QD1 ILE 5 far 0 62 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (0.75, 0.64, 13.41 ppm; 2.40 A): 1 out of 12 assignments used, quality = 0.92: * QG2 ILE 54 + QD1 ILE 54 OK 92 100 100 92 1.9-2.1 4389=70, 4393/2.1=37...(10) QD1 LEU 45 - QD1 ILE 54 far 0 96 0 - 5.2-6.0 QD2 LEU 55 - QD1 ILE 5 far 0 66 0 - 5.3-5.7 QD2 LEU 6 - QD1 ILE 5 far 0 64 0 - 6.0-6.3 QG2 ILE 7 - QD1 ILE 5 far 0 78 0 - 6.3-6.7 QD2 LEU 55 - QD1 ILE 54 far 0 92 0 - 6.5-6.7 QG2 ILE 54 - QD1 ILE 5 far 0 78 0 - 7.1-7.6 QG2 VAL 32 - QD1 ILE 54 far 0 70 0 - 7.4-7.9 QD1 LEU 45 - QD1 ILE 5 far 0 71 0 - 8.0-8.6 QD2 LEU 6 - QD1 ILE 54 far 0 90 0 - 8.3-8.7 QG1 VAL 107 - QD1 ILE 5 far 0 47 0 - 8.7-9.4 HG13 ILE 18 - QD1 ILE 5 far 0 47 0 - 8.7-9.3 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 HG13 ILE 7 - QD1 ILE 5 far 0 76 0 - 4.7-5.1 HD2 LYS 2 - QD1 ILE 54 far 0 87 0 - 4.8-7.2 HD3 LYS 53 - QD1 ILE 5 far 0 41 0 - 5.5-8.2 HD3 LYS 53 - QD1 ILE 54 far 0 61 0 - 6.1-7.7 HD2 LYS 2 - QD1 ILE 5 far 0 62 0 - 7.7-10.6 HG12 ILE 54 - QD1 ILE 5 far 0 78 0 - 9.3-10.1 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 6 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 54 far 0 77 0 - 5.8-6.3 QG2 VAL 29 - QD1 ILE 5 far 0 53 0 - 8.2-8.8 HG13 ILE 54 - QD1 ILE 5 far 0 78 0 - 8.4-9.1 QG1 VAL 104 - QD1 ILE 5 far 0 44 0 - 8.5-9.0 QD1 LEU 70 - QD1 ILE 54 far 0 99 0 - 9.9-10.6 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 - 9.9-10.5 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 2.5-2.6 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 2.3-2.4 4.3=100 HB VAL 78 - HA LEU 55 far 0 94 0 - 8.9-9.4 HG12 ILE 3 - HA LEU 55 far 0 99 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 4416 from cnoeabs.peaks (0.68, 5.64, 53.50 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 100 100 3.6-3.7 4.0=100 QD2 LEU 4 - HA LEU 55 far 0 98 0 - 4.3-4.7 QG2 ILE 56 - HA LEU 55 far 0 92 0 - 5.4-5.5 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 9 assignments used, quality = 1.00: * QD2 LEU 55 + HA LEU 55 OK 100 100 100 100 2.9-3.3 4.0=98, 337/332=71...(8) QG2 ILE 54 + HA LEU 55 OK 79 92 90 96 3.9-4.2 1361/3.0=70...(10) QD2 LEU 6 - HA LEU 55 far 0 100 0 - 5.5-6.0 QG2 VAL 78 - HA LEU 55 far 0 90 0 - 5.9-6.4 QG1 VAL 117 - HA LEU 55 far 0 77 0 - 6.1-6.7 QG2 ILE 18 - HA LEU 55 far 0 65 0 - 6.5-6.9 QD2 LEU 45 - HA LEU 55 far 0 90 0 - 6.5-7.7 QD1 LEU 45 - HA LEU 55 far 0 65 0 - 6.6-7.5 QG2 ILE 7 - HA LEU 55 far 0 96 0 - 7.8-8.2 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 2.6-2.8 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 3.0-3.0 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 2.4-2.7 3.1=100 QG2 ILE 56 - HB2 LEU 55 far 0 92 0 - 6.1-6.3 QD2 LEU 4 - HB2 LEU 55 far 0 98 0 - 6.4-6.8 QD2 LEU 114 - HB2 LEU 55 far 0 81 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 4424 from cnoeabs.peaks (0.74, 1.76, 45.20 ppm; 3.53 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.0-2.2 3.1=100 QG2 ILE 54 - HB2 LEU 55 far 0 92 0 - 4.3-4.8 QG2 ILE 18 - HB2 LEU 55 far 0 65 0 - 5.3-5.7 QG1 VAL 117 - HB2 LEU 55 far 0 77 0 - 5.9-6.6 QD2 LEU 6 - HB2 LEU 55 far 0 100 0 - 7.2-7.6 QG2 ILE 7 - HB2 LEU 55 far 0 96 0 - 7.7-8.3 QD2 LEU 45 - HB2 LEU 55 far 0 90 0 - 7.9-9.0 QG2 VAL 78 - HB2 LEU 55 far 0 90 0 - 8.5-8.9 QD1 LEU 45 - HB2 LEU 55 far 0 65 0 - 8.5-9.4 HG13 ILE 18 - HB2 LEU 55 far 0 97 0 - 9.3-9.8 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 2.4-2.7 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 2.5-2.6 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 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 1.8-1.8 1.8=100 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 2 assignments used, quality = 1.00: * HG LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.5-2.6 3.0=100 HG12 ILE 3 - HB3 LEU 55 far 0 99 0 - 9.6-11.1 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 2.0-2.2 3.1=100 QD2 LEU 4 - HB3 LEU 55 far 0 98 0 - 5.6-6.2 QG2 ILE 56 - HB3 LEU 55 far 0 92 0 - 7.0-7.1 QD2 LEU 114 - HB3 LEU 55 far 0 81 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4431 from cnoeabs.peaks (0.74, 1.32, 45.20 ppm; 3.48 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 ILE 54 - HB3 LEU 55 far 0 92 0 - 4.4-5.0 QG1 VAL 117 - HB3 LEU 55 far 0 77 0 - 5.5-6.2 QG2 ILE 18 - HB3 LEU 55 far 0 65 0 - 5.5-6.0 QD2 LEU 6 - HB3 LEU 55 far 0 100 0 - 7.4-8.0 QG2 VAL 78 - HB3 LEU 55 far 0 90 0 - 7.8-8.4 QD2 LEU 45 - HB3 LEU 55 far 0 90 0 - 7.9-9.0 QG2 ILE 7 - HB3 LEU 55 far 0 96 0 - 8.1-8.5 QD1 LEU 45 - HB3 LEU 55 far 0 65 0 - 8.3-9.3 HG13 ILE 18 - HB3 LEU 55 far 0 97 0 - 9.5-10.1 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 2 assignments used, quality = 1.00: * HB2 LEU 55 + HG LEU 55 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 18 - HG LEU 55 far 0 99 0 - 9.1-9.7 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 2 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LEU 55 - HG12 ILE 3 far 0 97 0 - 9.6-11.1 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 6 assignments used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 4 - HG12 ILE 3 far 0 94 0 - 5.3-6.3 QG2 ILE 56 - HG LEU 55 far 0 92 0 - 5.9-6.5 QD2 LEU 4 - HG LEU 55 far 0 98 0 - 6.1-6.5 QD1 LEU 55 - HG12 ILE 3 far 0 97 0 - 8.6-10.1 QD2 LEU 114 - HG LEU 55 far 0 81 0 - 8.9-9.6 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 15 assignments used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 117 - HG LEU 55 far 0 77 0 - 4.3-4.9 QG2 ILE 18 - HG LEU 55 far 0 65 0 - 4.7-5.2 QG2 VAL 78 - HG12 ILE 3 far 0 84 0 - 5.1-7.2 QD2 LEU 6 - HG LEU 55 far 0 100 0 - 5.6-6.4 QG2 ILE 54 - HG LEU 55 far 0 92 0 - 5.6-6.0 QG2 ILE 7 - HG LEU 55 far 0 96 0 - 6.1-6.7 QG2 VAL 78 - HG LEU 55 far 0 90 0 - 6.9-7.5 HG13 ILE 18 - HG LEU 55 far 0 97 0 - 8.3-8.9 QD1 LEU 45 - HG LEU 55 far 0 65 0 - 8.4-9.4 QD1 LEU 45 - HG12 ILE 3 far 0 61 0 - 8.5-10.4 QD2 LEU 45 - HG LEU 55 far 0 90 0 - 8.6-9.6 QD2 LEU 45 - HG12 ILE 3 far 0 84 0 - 8.6-10.7 QG2 ILE 54 - HG12 ILE 3 far 0 87 0 - 9.2-9.8 QG1 VAL 117 - HG12 ILE 3 far 0 72 0 - 9.4-10.8 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 4.1-4.4 4.7=100 H LEU 55 + QD2 LEU 4 OK 33 55 95 62 4.6-5.0 4.4/11714=53, 4.4/10734=19 Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (5.64, 0.68, 26.27 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + QD1 LEU 55 OK 100 100 100 100 3.6-3.7 4.0=100 HA LEU 55 - QD2 LEU 4 far 3 55 5 - 4.3-4.7 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 5 assignments used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.4-2.7 3.1=100 HB2 LEU 55 - QD2 LEU 4 far 0 55 0 - 6.4-6.8 HG12 ILE 18 - QD1 LEU 55 far 0 99 0 - 6.4-6.9 HB3 LYS 49 - QD2 LEU 4 far 0 52 0 - 6.5-11.9 HB VAL 32 - QD2 LEU 4 far 0 36 0 - 9.9-10.6 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 2.0-2.2 3.1=100 HB3 LEU 55 - QD2 LEU 4 far 0 55 0 - 5.6-6.2 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 10 assignments used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 3 - QD2 LEU 4 far 0 53 0 - 5.3-6.3 HG LEU 55 - QD2 LEU 4 far 0 55 0 - 6.1-6.5 HB VAL 78 - QD2 LEU 4 far 0 48 0 - 6.3-6.8 HG2 LYS 44 - QD2 LEU 4 far 0 34 0 - 6.4-9.9 QB ALA 46 - QD2 LEU 4 far 0 34 0 - 7.2-7.9 HB3 LEU 70 - QD2 LEU 4 far 0 54 0 - 8.2-8.9 HG12 ILE 3 - QD1 LEU 55 far 0 99 0 - 8.6-10.1 HB VAL 78 - QD1 LEU 55 far 0 94 0 - 9.7-10.2 HG12 ILE 116 - QD1 LEU 55 far 0 65 0 - 9.8-10.9 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): 1 out of 19 assignments used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 45 - QD2 LEU 4 far 1 29 5 - 2.5-3.3 QD2 LEU 45 - QD2 LEU 4 far 0 44 0 - 2.6-3.7 QG2 ILE 18 - QD1 LEU 55 far 0 65 0 - 2.6-3.1 QG1 VAL 117 - QD1 LEU 55 far 0 77 0 - 2.7-3.2 QG2 ILE 54 - QD2 LEU 4 far 0 46 0 - 3.1-3.8 QG2 VAL 78 - QD2 LEU 4 far 0 44 0 - 3.6-4.0 QG2 ILE 7 - QD1 LEU 55 far 0 96 0 - 5.1-5.7 QG2 ILE 54 - QD1 LEU 55 far 0 92 0 - 5.5-5.9 HG13 ILE 18 - QD1 LEU 55 far 0 97 0 - 5.6-6.1 QD2 LEU 6 - QD2 LEU 4 far 0 55 0 - 5.9-6.5 QD2 LEU 55 - QD2 LEU 4 far 0 55 0 - 6.2-6.6 QD2 LEU 6 - QD1 LEU 55 far 0 100 0 - 6.3-6.9 QG2 VAL 78 - QD1 LEU 55 far 0 90 0 - 7.2-7.8 QG1 VAL 117 - QD2 LEU 4 far 0 36 0 - 8.3-8.8 QD2 LEU 45 - QD1 LEU 55 far 0 90 0 - 8.3-9.2 QD1 LEU 45 - QD1 LEU 55 far 0 65 0 - 8.5-9.2 QG2 ILE 18 - QD2 LEU 4 far 0 29 0 - 9.1-9.6 QG2 ILE 7 - QD2 LEU 4 far 0 49 0 - 9.9-10.1 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 4.1-4.3 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 2.9-3.3 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 4 assignments used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.0-2.2 3.1=100 HG12 ILE 18 - QD2 LEU 55 far 0 99 0 - 6.4-6.8 HB VAL 32 - QD2 LEU 55 far 0 77 0 - 7.7-8.4 HB2 LEU 80 - QD2 LEU 55 far 0 96 0 - 9.4-9.9 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 3.1-3.2 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 2 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 - 9.2-9.8 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 5 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 0 92 0 - 4.3-4.6 QD2 LEU 4 - QD2 LEU 55 far 0 98 0 - 6.2-6.6 QD2 LEU 114 - QD2 LEU 55 far 0 81 0 - 6.8-7.3 QD1 ILE 116 - QD2 LEU 55 far 0 99 0 - 9.9-10.5 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): 1 out of 3 assignments used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 54 - HA ILE 56 far 0 97 0 - 6.1-6.9 HG12 ILE 71 - HA ILE 56 far 0 99 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 4456 from cnoeabs.peaks (0.69, 5.06, 59.11 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 100 100 2.2-2.3 3.2=100 QD1 ILE 57 - HA ILE 56 far 0 84 0 - 4.4-5.0 QD1 LEU 55 - HA ILE 56 far 0 92 0 - 5.7-6.0 QD2 LEU 4 - HA ILE 56 far 0 73 0 - 6.0-6.8 QD2 LEU 63 - HA ILE 56 far 0 77 0 - 8.4-9.4 QD2 LEU 81 - HA ILE 56 far 0 87 0 - 9.8-10.3 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 2.9-3.1 4.0=100 HB3 LEU 4 - HA ILE 56 far 0 92 0 - 5.7-6.4 HB2 LEU 4 - HA ILE 56 far 0 92 0 - 6.9-7.7 HB3 LEU 63 - HA ILE 56 far 0 100 0 - 8.6-9.0 HG3 LYS 44 - HA ILE 56 far 0 90 0 - 9.5-11.8 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 3.7-3.8 4.0=100 QD1 LEU 38 - HA ILE 56 far 0 99 0 - 7.5-8.3 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 2.0-2.2 4473/3.2=75, 4.2=70...(12) QD2 LEU 4 - HA ILE 56 far 0 70 0 - 6.0-6.8 QD1 LEU 4 - HA ILE 56 far 0 61 0 - 6.2-6.9 QD1 ILE 71 - HA ILE 56 far 0 97 0 - 6.7-7.8 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 2.5-2.7 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 3.0-3.0 3.0=100 HA VAL 29 - HB ILE 56 far 0 81 0 - 7.5-8.0 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 QD2 LEU 4 - HB ILE 56 far 0 73 0 - 5.5-6.4 QD1 ILE 57 - HB ILE 56 far 0 84 0 - 6.2-6.6 QD1 LEU 55 - HB ILE 56 far 0 92 0 - 6.4-6.7 QD2 LEU 63 - HB ILE 56 far 0 77 0 - 7.8-8.7 QD2 LEU 81 - HB ILE 56 far 0 87 0 - 8.9-9.6 QG2 ILE 97 - HB ILE 56 far 0 87 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4464 from cnoeabs.peaks (1.43, 1.69, 39.82 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 100 100 2.4-2.5 2.9=100 HB3 LEU 4 - HB ILE 56 far 0 92 0 - 4.3-5.3 HB2 LEU 4 - HB ILE 56 far 0 92 0 - 4.9-5.9 HB3 LEU 63 - HB ILE 56 far 0 100 0 - 7.3-8.2 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 3 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 2.4-2.5 2.9=100 QD1 LEU 38 - HB ILE 56 far 0 99 0 - 6.3-6.8 HD3 LYS 2 - HB ILE 56 far 0 100 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 4466 from cnoeabs.peaks (0.66, 1.69, 39.82 ppm; 3.42 A increased from 3.21 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 ILE 71 - HB ILE 56 far 0 97 0 - 4.4-5.4 QD1 LEU 4 - HB ILE 56 far 0 61 0 - 4.8-5.7 QD2 LEU 4 - HB ILE 56 far 0 70 0 - 5.5-6.4 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 3.8-3.9 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 2.2-2.3 3.2=100 HA VAL 29 - QG2 ILE 56 far 0 81 0 - 6.3-6.9 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 6 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 71 - QG2 ILE 56 far 0 99 0 - 6.0-7.2 HB ILE 54 - QG2 ILE 56 far 0 97 0 - 6.3-6.8 HG3 LYS 39 - QG2 ILE 56 far 0 92 0 - 8.3-9.6 HD3 LYS 44 - QG2 ILE 56 far 0 81 0 - 8.7-11.9 HD2 LYS 44 - QG2 ILE 56 far 0 87 0 - 9.9-11.7 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 3.2-3.2 3.2=100 HB3 LEU 63 - QG2 ILE 56 far 0 100 0 - 4.8-5.3 HB3 LEU 4 - QG2 ILE 56 far 0 92 0 - 5.2-5.9 HB2 LEU 4 - QG2 ILE 56 far 0 92 0 - 5.8-6.6 HG3 LYS 44 - QG2 ILE 56 far 0 90 0 - 7.8-9.5 HG LEU 80 - QG2 ILE 56 far 0 81 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 4472 from cnoeabs.peaks (0.96, 0.69, 17.09 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.3-2.4 3.2=100 QD1 LEU 38 - QG2 ILE 56 far 0 99 0 - 4.2-4.8 HD3 LYS 2 - QG2 ILE 56 far 0 100 0 - 9.0-11.8 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 4 assignments used, quality = 1.00: * QD1 ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.0-2.1 4491=100, 2.1/4477=35...(9) QD1 ILE 71 - QG2 ILE 56 far 0 97 0 - 4.4-5.6 QD1 LEU 4 - QG2 ILE 56 far 0 61 0 - 5.0-5.6 QD2 LEU 4 - QG2 ILE 56 far 0 70 0 - 5.6-6.3 Violated in 0 structures by 0.00 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 2.5-2.8 4.6=100 Violated in 0 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 2.9-3.1 4.0=100 HA VAL 29 - HG12 ILE 56 far 0 81 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 4476 from cnoeabs.peaks (1.69, 1.43, 27.65 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.4-2.5 2.9=100 HB ILE 54 - HG12 ILE 56 far 0 97 0 - 3.9-4.7 HG12 ILE 71 - HG12 ILE 56 far 0 99 0 - 7.0-7.7 HD3 LYS 44 - HG12 ILE 56 far 0 81 0 - 8.5-13.9 Violated in 0 structures by 0.00 A. Peak 4477 from cnoeabs.peaks (0.69, 1.43, 27.65 ppm; 3.20 A increased from 3.01 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HG12 ILE 56 OK 100 100 100 100 3.2-3.2 3.2=100 QD2 LEU 4 - HG12 ILE 56 far 0 73 0 - 3.7-4.5 QD1 LEU 55 - HG12 ILE 56 far 0 92 0 - 6.2-6.6 QD1 ILE 57 - HG12 ILE 56 far 0 84 0 - 6.7-7.2 QD2 LEU 63 - HG12 ILE 56 far 0 77 0 - 8.8-9.9 Violated in 0 structures by 0.00 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 - 7.2-7.8 HD3 LYS 2 - HG12 ILE 56 far 0 100 0 - 7.5-11.2 QD1 ILE 3 - HG12 ILE 56 far 0 90 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 4480 from cnoeabs.peaks (0.66, 1.43, 27.65 ppm; 2.99 A): 1 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 QD1 LEU 4 - HG12 ILE 56 far 0 61 0 - 3.5-4.3 QD2 LEU 4 - HG12 ILE 56 far 0 70 0 - 3.7-4.5 QD1 ILE 71 - HG12 ILE 56 far 0 97 0 - 4.9-5.8 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 3.9-4.1 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 3.7-3.8 4.0=100 HA VAL 29 - HG13 ILE 56 far 0 81 0 - 8.0-8.5 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 5 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.4-2.5 2.9=100 HB ILE 54 - HG13 ILE 56 far 0 97 0 - 5.0-5.8 HG12 ILE 71 - HG13 ILE 56 far 0 99 0 - 5.7-6.6 HD3 LYS 44 - HG13 ILE 56 far 0 81 0 - 8.5-13.3 HG LEU 74 - HG13 ILE 56 far 0 77 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 4484 from cnoeabs.peaks (0.69, 0.96, 27.65 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.3-2.4 3.2=100 QD2 LEU 4 - HG13 ILE 56 far 0 73 0 - 4.3-5.2 QD1 LEU 55 - HG13 ILE 56 far 0 92 0 - 7.5-7.9 QD1 ILE 57 - HG13 ILE 56 far 0 84 0 - 7.5-8.0 QD2 LEU 63 - HG13 ILE 56 far 0 77 0 - 7.5-8.6 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 far 0 92 0 - 3.6-4.4 HB2 LEU 4 - HG13 ILE 56 far 0 92 0 - 4.4-5.3 HB3 LEU 63 - HG13 ILE 56 far 0 100 0 - 7.9-8.7 HG3 LYS 44 - HG13 ILE 56 far 0 90 0 - 8.1-10.7 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): 1 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 QD1 LEU 4 - HG13 ILE 56 far 0 61 0 - 3.5-4.2 QD1 ILE 71 - HG13 ILE 56 far 0 97 0 - 4.1-5.2 QD2 LEU 4 - HG13 ILE 56 far 0 70 0 - 4.3-5.2 Violated in 0 structures by 0.00 A. Peak 4489 from cnoeabs.peaks (5.06, 0.66, 12.57 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.0-2.2 4.2=100 HA VAL 29 - QD1 ILE 56 far 0 81 0 - 5.1-5.7 Violated in 0 structures by 0.00 A. Peak 4490 from cnoeabs.peaks (1.69, 0.66, 12.57 ppm; 3.52 A): 1 out of 9 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 far 5 97 5 - 3.6-4.3 HD3 LYS 44 - QD1 ILE 56 far 0 81 0 - 6.2-10.0 HG12 ILE 71 - QD1 ILE 56 far 0 99 0 - 6.5-7.3 HD2 LYS 44 - QD1 ILE 56 far 0 87 0 - 7.4-9.5 HG3 LYS 39 - QD1 ILE 56 far 0 92 0 - 8.4-9.6 HD2 LYS 40 - QD1 ILE 56 far 0 97 0 - 8.9-10.3 HD3 LYS 40 - QD1 ILE 56 far 0 96 0 - 9.2-11.4 HG LEU 74 - QD1 ILE 56 far 0 77 0 - 9.5-10.1 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 6 assignments used, quality = 1.00: * QG2 ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.0-2.1 4473=100, 4477/2.1=35...(9) QD2 LEU 4 - QD1 ILE 56 far 0 73 0 - 3.9-4.7 QD1 ILE 57 - QD1 ILE 56 far 0 84 0 - 5.5-5.9 QD1 LEU 55 - QD1 ILE 56 far 0 92 0 - 6.1-6.5 QD2 LEU 63 - QD1 ILE 56 far 0 77 0 - 6.3-7.5 QD2 LEU 81 - QD1 ILE 56 far 0 87 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 4492 from cnoeabs.peaks (1.43, 0.66, 12.57 ppm; 3.25 A): 1 out of 5 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 far 0 92 0 - 4.1-4.8 HB2 LEU 4 - QD1 ILE 56 far 0 92 0 - 5.3-6.0 HG3 LYS 44 - QD1 ILE 56 far 0 90 0 - 5.6-7.7 HB3 LEU 63 - QD1 ILE 56 far 0 100 0 - 6.9-7.6 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 - 5.3-6.1 HD3 LYS 2 - QD1 ILE 56 far 0 100 0 - 6.9-9.7 QD1 ILE 3 - QD1 ILE 56 far 0 90 0 - 9.3-10.1 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 5 assignments used, quality = 1.00: * HB ILE 57 + HA ILE 57 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 18 - HA ILE 57 far 0 100 0 - 7.2-8.0 HB2 LEU 14 - HA ILE 57 far 0 100 0 - 8.1-8.8 HG12 ILE 5 - HA ILE 57 far 0 73 0 - 9.1-9.8 HB3 LYS 19 - HA ILE 57 far 0 90 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 4498 from cnoeabs.peaks (0.84, 4.91, 59.26 ppm; 4.10 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 57 + HA ILE 57 OK 100 100 100 100 2.2-2.4 3.2=100 HG13 ILE 57 + HA ILE 57 OK 61 61 100 100 2.5-2.8 4.2=96, ~1373=44...(15) QG2 ILE 15 - HA ILE 57 far 0 97 0 - 4.8-5.5 QG2 ILE 5 - HA ILE 57 far 0 100 0 - 5.8-6.4 QG2 VAL 22 - HA ILE 57 far 0 81 0 - 7.0-8.4 QD2 LEU 82 - HA ILE 57 far 0 77 0 - 7.6-8.5 QD1 LEU 14 - HA ILE 57 far 0 61 0 - 9.0-9.5 HG13 ILE 5 - HA ILE 57 far 0 98 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4499 from cnoeabs.peaks (1.46, 4.91, 59.26 ppm; 4.40 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 57 + HA ILE 57 OK 100 100 100 100 2.7-3.1 4.2=100 HG12 ILE 7 - HA ILE 57 far 0 100 0 - 6.6-7.1 HB3 LEU 6 - HA ILE 57 far 0 100 0 - 6.9-7.7 HG3 ARG 30 - HA ILE 57 far 0 96 0 - 8.9-9.8 HB3 LEU 38 - HA ILE 57 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 4500 from cnoeabs.peaks (0.86, 4.91, 59.26 ppm; 4.54 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 57 + HA ILE 57 OK 100 100 100 100 2.5-2.8 4.2=100 QG2 ILE 57 + HA ILE 57 OK 61 61 100 100 2.2-2.4 3.2=100 QG2 THR 9 - HA ILE 57 far 5 99 5 - 4.6-5.2 QG2 ILE 15 - HA ILE 57 far 0 87 0 - 4.8-5.5 QG2 ILE 5 - HA ILE 57 far 0 65 0 - 5.8-6.4 QG2 VAL 117 - HA ILE 57 far 0 98 0 - 7.0-7.7 QG2 VAL 22 - HA ILE 57 far 0 99 0 - 7.0-8.4 QG1 VAL 32 - HA ILE 57 far 0 96 0 - 7.1-7.6 QD1 LEU 14 - HA ILE 57 far 0 100 0 - 9.0-9.5 HG13 ILE 5 - HA ILE 57 far 0 84 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4501 from cnoeabs.peaks (0.71, 4.91, 59.26 ppm; 3.89 A): 2 out of 9 assignments used, quality = 1.00: * QD1 ILE 57 + HA ILE 57 OK 100 100 100 100 3.8-3.9 4.2=81, 4515/3.2=74...(12) QG2 ILE 56 + HA ILE 57 OK 82 84 100 98 3.5-3.7 1375/3.0=74, 351/346=39...(11) QD1 LEU 6 - HA ILE 57 far 0 96 0 - 4.1-5.0 QG2 ILE 18 - HA ILE 57 far 0 90 0 - 5.8-6.8 QD2 LEU 81 - HA ILE 57 far 0 100 0 - 7.3-8.0 QG1 VAL 117 - HA ILE 57 far 0 81 0 - 7.5-8.3 QD2 LEU 63 - HA ILE 57 far 0 100 0 - 8.2-9.3 QG2 VAL 78 - HA ILE 57 far 0 65 0 - 8.8-9.7 QD2 LEU 45 - HA ILE 57 far 0 65 0 - 9.8-11.0 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 2.7-2.9 1371=100, 1373/2.9=62...(11) H LYS 19 - HB ILE 57 far 0 94 0 - 7.3-8.0 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 3.0-3.0 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 HG13 ILE 57 + HB ILE 57 OK 61 61 100 100 3.0-3.0 2.9=100 QG2 ILE 15 + HB ILE 57 OK 40 97 60 68 3.1-3.6 2420=17, ~9556=17...(10) QG2 VAL 22 - HB ILE 57 far 0 81 0 - 6.7-7.6 QG2 ILE 5 - HB ILE 57 far 0 100 0 - 7.6-8.2 QD1 LEU 14 - HB ILE 57 far 0 61 0 - 9.2-9.8 QD2 LEU 82 - HB ILE 57 far 0 77 0 - 9.7-10.8 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 5 assignments used, quality = 1.00: * HG12 ILE 57 + HB ILE 57 OK 100 100 100 100 2.5-2.6 2.9=100 HG3 ARG 30 - HB ILE 57 far 0 96 0 - 7.7-8.9 HG12 ILE 7 - HB ILE 57 far 0 100 0 - 8.7-9.4 HB3 LEU 38 - HB ILE 57 far 0 100 0 - 9.6-10.5 HB3 LEU 6 - HB ILE 57 far 0 100 0 - 9.8-10.6 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 3.0-3.0 2.9=100 QG2 ILE 57 + HB ILE 57 OK 61 61 100 100 2.1-2.1 2.1=100 QG2 ILE 15 + HB ILE 57 OK 51 87 85 69 3.1-3.6 ~9556=19, ~10773=15...(10) QG2 THR 9 - HB ILE 57 far 0 99 0 - 5.3-6.0 QG2 VAL 22 - HB ILE 57 far 0 99 0 - 6.7-7.6 QG1 VAL 32 - HB ILE 57 far 0 96 0 - 6.9-7.5 QG2 ILE 5 - HB ILE 57 far 0 65 0 - 7.6-8.2 QG2 VAL 117 - HB ILE 57 far 0 98 0 - 8.3-8.9 QD1 LEU 14 - HB ILE 57 far 0 100 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4508 from cnoeabs.peaks (0.71, 1.82, 38.95 ppm; 3.68 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 57 + HB ILE 57 OK 100 100 100 100 2.3-2.4 3.2=100 QG2 ILE 56 - HB ILE 57 far 0 84 0 - 4.3-4.6 QG2 ILE 18 - HB ILE 57 far 0 90 0 - 6.0-6.8 QD1 LEU 6 - HB ILE 57 far 0 96 0 - 6.7-7.5 QG1 VAL 117 - HB ILE 57 far 0 81 0 - 8.5-9.1 QD2 LEU 63 - HB ILE 57 far 0 100 0 - 8.7-9.9 QD2 LEU 81 - HB ILE 57 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 4509 from cnoeabs.peaks (8.54, 0.84, 17.77 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 57 + QG2 ILE 57 OK 100 100 100 100 3.9-3.9 4.0=100 H LYS 19 - QG2 ILE 57 far 0 94 0 - 5.3-6.2 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 2.2-2.4 3.2=100 HA LEU 82 - QG2 ILE 57 far 0 100 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (1.82, 0.84, 17.77 ppm; 3.17 A): 1 out of 6 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 far 0 100 0 - 4.5-5.1 HB2 LEU 14 - QG2 ILE 57 far 0 100 0 - 5.2-5.8 HB3 LYS 19 - QG2 ILE 57 far 0 90 0 - 5.9-7.0 QE MET 121 - QG2 ILE 57 far 0 97 0 - 8.8-9.9 HG12 ILE 5 - QG2 ILE 57 far 0 73 0 - 9.0-9.6 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): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 57 + QG2 ILE 57 OK 100 100 100 100 3.2-3.2 3.2=100 HG12 ILE 7 - QG2 ILE 57 far 0 100 0 - 5.9-6.7 HB3 LEU 6 - QG2 ILE 57 far 0 100 0 - 7.6-8.4 HG3 ARG 30 - QG2 ILE 57 far 0 96 0 - 8.4-9.4 HB3 LEU 38 - QG2 ILE 57 far 0 100 0 - 8.8-9.5 HG LEU 80 - QG2 ILE 57 far 0 61 0 - 9.7-10.6 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): 1 out of 9 assignments used, quality = 0.90: * QD1 ILE 57 + QG2 ILE 57 OK 90 100 100 90 1.9-2.2 3.0=77, 4501/3.2=15...(10) QG2 ILE 18 - QG2 ILE 57 far 0 90 0 - 4.3-5.1 QG2 ILE 56 - QG2 ILE 57 far 0 84 0 - 4.7-4.8 QD1 LEU 6 - QG2 ILE 57 far 0 96 0 - 5.0-5.8 QD2 LEU 81 - QG2 ILE 57 far 0 100 0 - 6.2-6.8 QG1 VAL 117 - QG2 ILE 57 far 0 81 0 - 6.6-7.3 QD2 LEU 63 - QG2 ILE 57 far 0 100 0 - 7.6-8.6 QG2 VAL 78 - QG2 ILE 57 far 0 65 0 - 9.3-10.1 QD2 LEU 45 - QG2 ILE 57 far 0 65 0 - 9.8-10.8 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 2.8-3.1 1373=100, 1371/2.9=74...(11) H LYS 19 - HG12 ILE 57 far 0 94 0 - 6.7-7.6 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 2.7-3.1 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 2.5-2.6 2.9=100 HB ILE 18 - HG12 ILE 57 far 0 100 0 - 5.8-6.6 HB3 LYS 19 - HG12 ILE 57 far 0 90 0 - 7.2-8.2 HG12 ILE 5 - HG12 ILE 57 far 0 73 0 - 8.1-8.9 HB2 LEU 14 - HG12 ILE 57 far 0 100 0 - 8.4-9.2 QE MET 121 - HG12 ILE 57 far 0 97 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (0.84, 1.46, 27.65 ppm; 2.83 A): 1 out of 8 assignments used, quality = 0.61: HG13 ILE 57 + HG12 ILE 57 OK 61 61 100 100 1.8-1.8 1.8=100 ! QG2 ILE 57 - HG12 ILE 57 far 0 100 0 - 3.2-3.2 QG2 ILE 15 - HG12 ILE 57 far 0 97 0 - 4.3-4.8 QG2 VAL 22 - HG12 ILE 57 far 0 81 0 - 5.0-6.1 QG2 ILE 5 - HG12 ILE 57 far 0 100 0 - 5.7-6.5 HG13 ILE 5 - HG12 ILE 57 far 0 98 0 - 8.2-8.9 QD1 LEU 14 - HG12 ILE 57 far 0 61 0 - 8.8-9.6 QD2 LEU 82 - HG12 ILE 57 far 0 77 0 - 9.8-10.8 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): 1 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 far 0 61 0 - 3.2-3.2 QG2 ILE 15 - HG12 ILE 57 far 0 87 0 - 4.3-4.8 QG2 VAL 22 - HG12 ILE 57 far 0 99 0 - 5.0-6.1 QG2 THR 9 - HG12 ILE 57 far 0 99 0 - 5.7-6.5 QG2 ILE 5 - HG12 ILE 57 far 0 65 0 - 5.7-6.5 QG2 VAL 117 - HG12 ILE 57 far 0 98 0 - 6.9-7.6 QG1 VAL 32 - HG12 ILE 57 far 0 96 0 - 8.0-8.6 HG13 ILE 5 - HG12 ILE 57 far 0 84 0 - 8.2-8.9 QD1 LEU 14 - HG12 ILE 57 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (0.71, 1.46, 27.65 ppm; 2.78 A): 1 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 far 0 84 0 - 4.3-4.5 QG2 ILE 18 - HG12 ILE 57 far 0 90 0 - 4.6-5.4 QD1 LEU 6 - HG12 ILE 57 far 0 96 0 - 6.1-7.1 QG1 VAL 117 - HG12 ILE 57 far 0 81 0 - 6.7-7.4 QD2 LEU 81 - HG12 ILE 57 far 0 100 0 - 7.9-8.6 QD2 LEU 45 - HG12 ILE 57 far 0 65 0 - 9.1-10.4 QG2 VAL 78 - HG12 ILE 57 far 0 65 0 - 9.2-9.9 QD2 LEU 63 - HG12 ILE 57 far 0 100 0 - 9.9-10.9 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 3.9-4.4 4.6=100 H LYS 19 - HG13 ILE 57 far 0 94 0 - 6.0-7.1 H ILE 57 - HG13 ILE 5 far 0 68 0 - 9.4-10.2 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 2.5-2.8 4.2=100 HA ILE 57 - HG13 ILE 5 far 0 68 0 - 9.2-9.8 HA LEU 82 - HG13 ILE 57 far 0 100 0 - 9.3-10.2 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 10 assignments used, quality = 1.00: * HB ILE 57 + HG13 ILE 57 OK 100 100 100 100 3.0-3.0 2.9=100 HG12 ILE 5 + HG13 ILE 5 OK 43 43 100 100 1.8-1.8 1.8=100 HB ILE 18 - HG13 ILE 57 far 0 100 0 - 4.6-5.6 HB ILE 3 - HG13 ILE 5 far 0 40 0 - 5.2-5.7 QE MET 121 - HG13 ILE 5 far 0 63 0 - 5.7-7.0 HB2 LEU 14 - HG13 ILE 57 far 0 100 0 - 6.8-7.7 HB3 LYS 19 - HG13 ILE 57 far 0 90 0 - 7.0-8.2 HG12 ILE 5 - HG13 ILE 57 far 0 73 0 - 8.0-8.7 HB3 LYS 77 - HG13 ILE 5 far 0 37 0 - 8.1-8.6 QE MET 121 - HG13 ILE 57 far 0 97 0 - 8.5-9.9 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 9 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 0 100 0 - 5.9-6.6 HG LEU 4 - HG13 ILE 5 far 0 59 0 - 6.3-6.8 HG12 ILE 7 - HG13 ILE 5 far 0 68 0 - 7.3-7.7 HB3 LEU 6 - HG13 ILE 5 far 0 68 0 - 7.8-8.0 HB3 LEU 6 - HG13 ILE 57 far 0 100 0 - 8.0-8.9 HG12 ILE 57 - HG13 ILE 5 far 0 68 0 - 8.2-8.9 HG3 ARG 30 - HG13 ILE 57 far 0 96 0 - 8.5-10.4 HG3 ARG 30 - HG13 ILE 5 far 0 61 0 - 9.8-11.9 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): 1 out of 15 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 18 - HG13 ILE 57 far 0 90 0 - 3.8-4.6 QG1 VAL 117 - HG13 ILE 5 far 0 48 0 - 4.6-5.3 QG2 ILE 56 - HG13 ILE 57 far 0 84 0 - 5.1-5.5 QG2 VAL 78 - HG13 ILE 5 far 0 37 0 - 5.3-6.0 QD1 LEU 6 - HG13 ILE 57 far 0 96 0 - 5.7-6.6 QG1 VAL 117 - HG13 ILE 57 far 0 81 0 - 6.0-6.7 QD2 LEU 81 - HG13 ILE 57 far 0 100 0 - 6.6-7.3 QG2 ILE 18 - HG13 ILE 5 far 0 55 0 - 6.8-7.2 QD2 LEU 81 - HG13 ILE 5 far 0 68 0 - 7.6-8.1 QG2 ILE 56 - HG13 ILE 5 far 0 50 0 - 7.7-8.7 QD1 ILE 57 - HG13 ILE 5 far 0 68 0 - 7.9-8.5 QD1 LEU 6 - HG13 ILE 5 far 0 61 0 - 8.0-8.2 QD2 LEU 45 - HG13 ILE 5 far 0 37 0 - 9.0-10.0 QG2 VAL 78 - HG13 ILE 57 far 0 65 0 - 9.5-10.5 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 3.9-4.2 1373/2.1=84, 1371/3.2=72...(11) H LYS 19 + QD1 ILE 57 OK 77 94 95 86 3.7-4.4 7986/10773=31...(9) 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 3.8-3.9 4.2=100 HA LEU 82 - QD1 ILE 57 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (1.82, 0.71, 13.94 ppm; 3.39 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 57 + QD1 ILE 57 OK 100 100 100 100 2.3-2.4 3.2=100 HB ILE 18 - QD1 ILE 57 far 5 100 5 - 3.4-3.9 HB3 LYS 19 - QD1 ILE 57 far 0 90 0 - 4.1-5.0 HB2 LEU 14 - QD1 ILE 57 far 0 100 0 - 5.7-6.4 QE MET 121 - QD1 ILE 57 far 0 97 0 - 7.0-8.2 HG12 ILE 5 - QD1 ILE 57 far 0 73 0 - 7.5-8.2 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 = 0.96: * QG2 ILE 57 + QD1 ILE 57 OK 82 100 100 82 1.9-2.2 4515=69, 3.2/4501=11...(8) 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 41 97 100 42 2.0-2.3 3.2/10773=20...(8) QG2 VAL 22 - QD1 ILE 57 far 0 81 0 - 3.4-4.4 QG2 ILE 5 - QD1 ILE 57 far 0 100 0 - 5.5-6.1 QD1 LEU 14 - QD1 ILE 57 far 0 61 0 - 6.2-6.8 HG13 ILE 5 - QD1 ILE 57 far 0 98 0 - 7.9-8.5 QD2 LEU 82 - QD1 ILE 57 far 0 77 0 - 8.8-9.7 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 5 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 0 100 0 - 6.2-7.0 HG3 ARG 30 - QD1 ILE 57 far 0 96 0 - 6.6-7.9 HG3 LYS 20 - QD1 ILE 57 far 0 73 0 - 8.2-9.0 HB3 LEU 6 - QD1 ILE 57 far 0 100 0 - 8.7-9.4 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 11 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 45 61 100 73 1.9-2.2 3.0=57, 3.2/4501=12...(7) QG2 ILE 15 + QD1 ILE 57 OK 37 87 100 43 2.0-2.3 3.2/10773=21...(7) QG2 VAL 22 - QD1 ILE 57 far 0 99 0 - 3.4-4.4 QG2 THR 9 - QD1 ILE 57 far 0 99 0 - 4.2-4.7 QG2 VAL 117 - QD1 ILE 57 far 0 98 0 - 5.3-6.0 QG2 ILE 5 - QD1 ILE 57 far 0 65 0 - 5.5-6.1 QD1 LEU 14 - QD1 ILE 57 far 0 100 0 - 6.2-6.8 QG1 VAL 32 - QD1 ILE 57 far 0 96 0 - 7.7-8.2 HG13 ILE 5 - QD1 ILE 57 far 0 84 0 - 7.9-8.5 QG2 VAL 107 - QD1 ILE 57 far 0 94 0 - 9.5-10.1 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 3.0-3.0 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 2.3-2.4 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 2.5-2.8 4.0=100 H ASN 59 + HB2 SER 58 OK 72 73 100 98 3.8-4.2 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 3.0-3.0 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 3.3-3.6 4.0=100 H ASN 59 + HB3 SER 58 OK 73 73 100 99 3.5-4.0 4.5=83, 353/3.0=54...(6) 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 2.3-2.4 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 - 8.7-9.9 HA LEU 68 - HB3 SER 58 far 0 100 0 - 9.6-10.8 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): 1 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 far 0 73 0 - 4.6-4.9 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 2.5-3.0 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 2.4-3.6 4.0=100 H SER 58 - HB2 ASN 59 far 0 73 0 - 5.5-6.8 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 2.5-3.0 3.0=100 HA ASN 11 - HB2 ASN 59 far 0 65 0 - 7.3-9.2 HA ASP 34 - HB2 ASN 59 far 0 96 0 - 8.2-10.8 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 2.1-4.0 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 2.9-4.1 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): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.6-3.8 4.0=100 H SER 58 - HB3 ASN 59 far 0 73 0 - 5.7-7.1 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 - 6.9-8.8 HA ASP 34 - HB3 ASN 59 far 0 96 0 - 8.3-11.0 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 2.1-3.5 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 2.1-3.9 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 far 0 92 0 - 8.2-10.1 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 2.6-3.0 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 1 assignment used, quality = 1.00: * HB3 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 4571 from cnoeabs.peaks (7.86, 2.73, 42.95 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 60 + HB2 ASP 60 OK 100 100 100 100 2.3-2.9 4.0=100 HE21 GLN 62 - HB2 ASP 60 far 0 92 0 - 7.0-9.7 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 2.6-3.0 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 1 assignment used, quality = 1.00: * HB3 ASP 60 + HB2 ASP 60 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.5-3.6 4.0=100 HE21 GLN 62 - HB3 ASP 60 far 0 92 0 - 6.6-9.5 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 2.5-3.0 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 - 9.7-11.6 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 2 assignments used, quality = 1.00: * HB2 LYS 61 + HA LYS 61 OK 100 100 100 100 2.4-2.7 3.0=100 HG LEU 6 - HA LYS 61 far 0 100 0 - 8.1-8.9 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 3 assignments used, quality = 1.00: * HB3 LYS 61 + HA LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 63 - HA LYS 61 far 0 98 0 - 6.5-7.0 HG LEU 80 - HA LYS 61 far 0 94 0 - 8.6-9.7 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 2.6-4.2 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 2.2-4.2 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 3.0-5.3 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 2.0-4.7 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 3.5-3.6 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 2.4-2.7 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 - 8.3-11.0 HB3 LEU 63 - HB2 LYS 61 far 0 98 0 - 8.4-8.9 HG LEU 80 - HB2 LYS 61 far 0 94 0 - 9.6-10.7 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 2.6-3.0 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 2.2-3.0 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 2.1-4.0 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 2.1-3.7 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 2.2-2.8 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 2.3-3.0 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 - 10.0-11.8 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 2.3-3.0 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 2.5-4.0 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 2.0-3.9 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 2.0-3.3 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 2.6-4.2 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 1 assignment used, quality = 1.00: * HB2 LYS 61 + HG2 LYS 61 OK 100 100 100 100 2.6-3.0 3.0=100 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 3 assignments used, quality = 1.00: * HB3 LYS 61 + HG2 LYS 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 63 - HG2 LYS 61 far 0 98 0 - 8.4-9.7 HG2 LYS 96 - HG2 LYS 61 far 0 96 0 - 9.5-13.4 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 2.4-3.0 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 2.2-3.9 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 2.2-3.9 3.8=100 HB3 ASP 84 - HG2 LYS 61 far 0 92 0 - 7.7-11.8 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 2.2-3.9 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 2.2-4.2 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 2.2-3.0 3.0=100 HG LEU 6 - HG3 LYS 61 far 0 100 0 - 9.8-12.1 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 2.3-3.0 3.0=100 HB3 LEU 63 - HG3 LYS 61 far 0 98 0 - 8.0-10.1 HG LEU 80 - HG3 LYS 61 far 0 94 0 - 9.1-13.0 HG2 LYS 96 - HG3 LYS 61 far 0 96 0 - 9.2-12.8 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 2.5-4.2 3.8=100 HE3 LYS 61 + HG3 LYS 61 OK 87 87 100 100 2.3-3.9 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 2.3-3.9 3.8=100 HE2 LYS 61 + HG3 LYS 61 OK 87 87 100 100 2.5-4.2 3.8=100 HB3 ASP 84 - HG3 LYS 61 far 0 92 0 - 7.2-12.0 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 = 0.95: * HA LYS 61 + HD2 LYS 61 OK 95 100 95 100 3.0-5.3 5.0=100 Violated in 1 structures by 0.01 A. Peak 4631 from cnoeabs.peaks (1.52, 1.17, 28.78 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HD2 LYS 61 OK 100 100 100 100 2.1-4.0 3.7=100 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 4 assignments used, quality = 1.00: * HB3 LYS 61 + HD2 LYS 61 OK 100 100 100 100 2.5-4.0 3.7=100 HB3 LEU 63 - HD2 LYS 61 far 0 98 0 - 8.2-11.2 HG2 LYS 96 - HD2 LYS 61 far 0 96 0 - 8.6-11.8 HG LEU 80 - HD2 LYS 61 far 0 94 0 - 8.9-13.1 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 2.3-3.0 3.0=100 HE3 LYS 61 + HD2 LYS 61 OK 87 87 100 100 2.4-3.0 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 2.4-3.0 3.0=100 HE2 LYS 61 + HD2 LYS 61 OK 87 87 100 100 2.3-3.0 3.0=100 HB3 ASP 84 - HD2 LYS 61 far 0 92 0 - 6.5-12.6 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 2.0-4.7 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 2.1-3.7 3.7=100 HG LEU 6 - HD3 LYS 61 far 0 100 0 - 9.3-12.7 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 2.0-3.9 3.7=100 HG2 LYS 96 - HD3 LYS 61 far 0 96 0 - 7.6-12.1 HB3 LEU 63 - HD3 LYS 61 far 0 98 0 - 8.3-11.5 HG LEU 80 - HD3 LYS 61 far 0 94 0 - 8.6-12.3 HB3 GLN 83 - HD3 LYS 61 far 0 87 0 - 9.5-14.9 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 2.4-3.0 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 2.3-3.0 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 2.3-3.0 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 - 6.3-11.5 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 11 assignments used, quality = 0.98: * HB3 LYS 61 + HE2 LYS 61 OK 95 100 95 100 2.4-5.5 4.9=100 HB3 LYS 61 + HE3 LYS 61 OK 70 73 95 100 2.6-5.5 4.9=100 HG2 LYS 96 - HE2 LYS 61 far 0 96 0 - 7.7-12.8 HG2 LYS 96 - HE3 LYS 61 far 0 66 0 - 8.0-12.7 HG3 LYS 17 - HE3 LYS 19 far 0 67 0 - 8.3-11.4 HG LEU 80 - HE3 LYS 61 far 0 64 0 - 8.3-14.8 HG3 LYS 17 - HE2 LYS 19 far 0 67 0 - 8.4-11.5 HB3 GLN 83 - HE3 LYS 61 far 0 57 0 - 8.6-16.8 HB3 GLN 83 - HE2 LYS 61 far 0 87 0 - 9.0-17.0 HG LEU 80 - HE2 LYS 61 far 0 94 0 - 9.4-15.0 HB3 LEU 63 - HE3 LYS 61 far 0 69 0 - 9.8-12.4 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 2.2-3.9 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 3 assignments used, quality = 1.00: * HG3 LYS 61 + HE2 LYS 61 OK 100 100 100 100 2.5-4.2 3.8=100 HG3 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.3-3.9 3.8=100 QG2 THR 108 - HE3 LYS 61 far 0 64 0 - 9.6-16.2 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 2.3-3.0 3.0=100 HD2 LYS 61 + HE3 LYS 61 OK 73 73 100 100 2.4-3.0 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 2.3-3.0 3.0=100 HG2 LYS 19 + HE3 LYS 19 OK 67 68 100 99 2.4-3.9 4.0=94, ~3024=16...(17) HG2 LYS 19 + HE2 LYS 19 OK 64 68 95 99 2.2-4.1 4.0=94, 1133/7.1=16...(22) 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 2.2-3.9 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 3 assignments used, quality = 1.00: * HG3 LYS 61 + HE3 LYS 61 OK 100 100 100 100 2.3-3.9 3.8=100 HG3 LYS 61 + HE2 LYS 61 OK 73 73 100 100 2.5-4.2 3.8=100 QG2 THR 108 - HE3 LYS 61 far 0 94 0 - 9.6-16.2 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 2.4-3.0 3.0=100 HD2 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 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 2.3-3.0 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 2.4-2.6 3.0=100 HB3 GLN 62 + HA GLN 62 OK 100 100 100 100 3.0-3.0 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 2.4-2.6 3.0=100 * HB3 GLN 62 + HA GLN 62 OK 100 100 100 100 3.0-3.0 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 2 assignments used, quality = 1.00: HG3 GLN 62 + HA GLN 62 OK 99 100 100 99 2.6-3.4 3.9=78, 7609/3.6=39...(18) * HG2 GLN 62 + HA GLN 62 OK 59 100 60 99 2.3-3.8 3.9=78, 1.8/4702=49...(19) 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 2 assignments used, quality = 1.00: * HG3 GLN 62 + HA GLN 62 OK 99 100 100 99 2.6-3.4 3.9=78, 7609/3.6=39...(18) HG2 GLN 62 + HA GLN 62 OK 59 100 60 99 2.3-3.8 3.9=78, 1.8/4702=49...(19) 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 = 0.93: * HE21 GLN 62 + HA GLN 62 OK 93 100 100 93 3.4-4.8 5.7=67, 3.5/4702=54, 952/3.9=51 H ASP 60 - HA GLN 62 far 0 92 0 - 7.4-7.7 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 2.4-2.8 4.0=74, 1402/1.8=45...(9) * H GLN 62 + HB2 GLN 62 OK 97 100 100 97 2.3-2.7 4.0=74, 1403/1.8=46...(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 2.4-2.6 3.0=100 HA GLN 62 + HB3 GLN 62 OK 100 100 100 100 3.0-3.0 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 4 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 2.4-2.6 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 3.0-3.0 3.0=100 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 4 assignments used, quality = 1.00: HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 * HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 3.0-3.0 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 2.4-2.6 3.0=100 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 2.4-2.8 4.0=74, 1402/1.8=45...(9) H GLN 62 + HB2 GLN 62 OK 97 100 100 97 2.3-2.7 4.0=74, 1403/1.8=46...(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 2.4-2.6 3.0=100 * HA GLN 62 + HB3 GLN 62 OK 100 100 100 100 3.0-3.0 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 4 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 2.4-2.6 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 3.0-3.0 3.0=100 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 4 assignments used, quality = 1.00: * HG3 GLN 62 + HB3 GLN 62 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 100 100 3.0-3.0 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 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 4693 from cnoeabs.peaks (8.43, 2.41, 33.72 ppm; 4.58 A increased from 3.85 A): 2 out of 6 assignments used, quality = 1.00: H GLN 62 + HG3 GLN 62 OK 100 100 100 100 4.4-4.6 1905/7609=70, 5.2=69...(11) * H GLN 62 + HG2 GLN 62 OK 99 100 100 99 4.3-4.6 5.2=69, 1403/3.0=46...(10) H ASN 10 - HG2 GLN 85 far 0 92 0 - 6.8-11.1 H ASN 10 - HG3 GLN 85 far 0 86 0 - 7.1-11.2 H GLN 83 - HG3 GLN 85 far 0 89 0 - 8.3-11.4 H GLN 83 - HG2 GLN 85 far 0 95 0 - 8.3-11.6 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 = 0.99: HA GLN 62 + HG3 GLN 62 OK 98 100 100 98 2.6-3.4 3.9=72, 3.6/7609=37...(18) * HA GLN 62 + HG2 GLN 62 OK 54 100 55 98 2.3-3.8 3.9=72, 4674/1.8=43...(19) HA ASP 110 - HG3 GLN 85 far 0 78 0 - 8.2-12.4 HA ASP 110 - HG2 GLN 85 far 0 84 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 4695 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 5 out of 7 assignments used, quality = 1.00: * HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.4-2.6 3.0=71, 4.4/952=12...(9) HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4694=20...(10) HB2 GLN 85 + HG3 GLN 85 OK 46 86 60 89 2.3-3.0 3.0=71, 1562/5.0=14...(12) HB3 GLN 62 + HG2 GLN 62 OK 39 100 45 87 2.3-3.0 3.0=71, 4.4/952=12...(9) HB2 GLN 85 + HG2 GLN 85 OK 32 92 40 88 2.3-3.0 3.0=71, 1562/5.0=14...(12) HB2 GLN 62 - HG3 GLN 62 far 0 100 0 - 3.0-3.0 HB3 GLU 37 - HG3 GLN 62 far 0 95 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4696 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 5 out of 7 assignments used, quality = 1.00: HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.4-2.6 3.0=71, 4.4/952=12...(9) HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4694=20...(10) HB2 GLN 85 + HG3 GLN 85 OK 46 86 60 89 2.3-3.0 3.0=71, 1562/5.0=14...(12) * HB3 GLN 62 + HG2 GLN 62 OK 39 100 45 87 2.3-3.0 3.0=71, 4.4/952=12...(9) HB2 GLN 85 + HG2 GLN 85 OK 32 92 40 88 2.3-3.0 3.0=71, 1562/5.0=14...(12) HB2 GLN 62 - HG3 GLN 62 far 0 100 0 - 3.0-3.0 HB3 GLU 37 - HG3 GLN 62 far 0 95 0 - 9.5-11.1 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 2.1-3.2 3.5=100 HE21 GLN 62 + HG3 GLN 62 OK 100 100 100 100 2.1-3.6 3.5=100 H SER 126 - HG2 GLN 122 far 0 52 0 - 5.4-8.4 H ASP 60 - HG3 GLN 62 far 0 92 0 - 7.5-8.6 H LYS 39 - HG3 GLN 62 far 0 65 0 - 8.2-9.3 H ASP 60 - HG2 GLN 62 far 0 92 0 - 8.5-9.2 H LYS 39 - HG2 GLN 62 far 0 65 0 - 9.5-10.8 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 3.4-3.9 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 93 93 100 100 3.5-4.1 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 87 87 100 100 3.4-4.1 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 0 52 0 - 6.1-12.3 Violated in 0 structures by 0.00 A. Peak 4701 from cnoeabs.peaks (8.43, 2.41, 33.72 ppm; 4.58 A increased from 3.85 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 62 + HG3 GLN 62 OK 100 100 100 100 4.4-4.6 1905/7609=71, 5.2=69...(11) H GLN 62 + HG2 GLN 62 OK 99 100 100 99 4.3-4.6 5.2=69, 1403/3.0=46...(10) H ASN 10 - HG2 GLN 85 far 0 94 0 - 6.8-11.1 H ASN 10 - HG3 GLN 85 far 0 89 0 - 7.1-11.2 H GLN 83 - HG3 GLN 85 far 0 92 0 - 8.3-11.4 H GLN 83 - HG2 GLN 85 far 0 97 0 - 8.3-11.6 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 = 0.99: * HA GLN 62 + HG3 GLN 62 OK 98 100 100 98 2.6-3.4 3.9=72, 3.6/7609=37...(18) HA GLN 62 + HG2 GLN 62 OK 54 100 55 98 2.3-3.8 3.9=72, 4674/1.8=43...(19) HA ASP 110 - HG3 GLN 85 far 0 82 0 - 8.2-12.4 HA ASP 110 - HG2 GLN 85 far 0 87 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 4703 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 5 out of 7 assignments used, quality = 1.00: HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.4-2.6 3.0=71, 4.4/953=12...(9) HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4702=20...(10) HB2 GLN 85 + HG3 GLN 85 OK 47 89 60 89 2.3-3.0 3.0=71, 1562/5.0=14...(12) HB3 GLN 62 + HG2 GLN 62 OK 39 100 45 87 2.3-3.0 3.0=71, 4.4/953=12...(9) HB2 GLN 85 + HG2 GLN 85 OK 33 94 40 88 2.3-3.0 3.0=71, 3.0/5670=14...(12) ! HB2 GLN 62 - HG3 GLN 62 far 0 100 0 - 3.0-3.0 HB3 GLU 37 - HG3 GLN 62 far 0 96 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4704 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 5 out of 7 assignments used, quality = 1.00: HB2 GLN 62 + HG2 GLN 62 OK 87 100 100 87 2.4-2.6 3.0=71, 4.4/953=12...(9) * HB3 GLN 62 + HG3 GLN 62 OK 87 100 100 87 2.3-2.6 3.0=71, 3.0/4702=20...(10) HB2 GLN 85 + HG3 GLN 85 OK 47 89 60 89 2.3-3.0 3.0=71, 1562/5.0=14...(12) HB3 GLN 62 + HG2 GLN 62 OK 39 100 45 87 2.3-3.0 3.0=71, 4.4/953=12...(9) HB2 GLN 85 + HG2 GLN 85 OK 33 94 40 88 2.3-3.0 3.0=71, 3.0/5670=14...(12) HB2 GLN 62 - HG3 GLN 62 far 0 100 0 - 3.0-3.0 HB3 GLU 37 - HG3 GLN 62 far 0 96 0 - 9.5-11.1 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 2.1-3.6 3.5=100 HE21 GLN 62 + HG2 GLN 62 OK 100 100 100 100 2.1-3.2 3.5=100 H SER 126 - HG2 GLN 122 far 0 54 0 - 5.4-8.4 H ASP 60 - HG3 GLN 62 far 0 92 0 - 7.5-8.6 H LYS 39 - HG3 GLN 62 far 0 65 0 - 8.2-9.3 H ASP 60 - HG2 GLN 62 far 0 92 0 - 8.5-9.2 H LYS 39 - HG2 GLN 62 far 0 65 0 - 9.5-10.8 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 3.4-4.1 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 100 100 100 100 3.4-3.9 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 95 95 100 100 3.5-4.1 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 91 91 100 100 3.4-4.1 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 0 54 0 - 6.1-12.3 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): 1 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 far 0 94 0 - 3.9-4.6 QE MET 42 - HA LEU 63 far 0 99 0 - 7.5-8.2 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 2 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 - 7.8-8.7 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 2.7-3.2 3.7=100 HB3 LEU 64 - HA LEU 63 far 0 94 0 - 5.6-5.6 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 1.9-2.2 4738=98, 2.1/4715=46...(18) QG2 ILE 56 - HA LEU 63 far 0 77 0 - 6.5-7.0 QD1 LEU 6 - HA LEU 63 far 0 98 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 4715 from cnoeabs.peaks (0.74, 4.13, 56.64 ppm; 3.88 A increased from 3.45 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 63 + HA LEU 63 OK 100 100 100 100 3.8-3.8 4.0=89, 2.1/4714=86...(14) QD2 LEU 6 - HA LEU 63 far 0 98 0 - 6.4-7.0 QD1 LEU 45 - HA LEU 63 far 0 84 0 - 9.9-10.6 Violated in 0 structures by 0.00 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 2.2-2.5 1410=100, 1411/1.8=75...(13) 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 2 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 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 4720 from cnoeabs.peaks (1.62, 1.87, 40.89 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 63 + HB2 LEU 63 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LEU 64 - HB2 LEU 63 far 0 94 0 - 4.6-5.1 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 3.2-3.2 3.1=100 QG2 ILE 56 - HB2 LEU 63 far 0 77 0 - 5.5-6.5 QD1 LEU 6 - HB2 LEU 63 far 0 98 0 - 6.0-6.8 QD1 ILE 57 - HB2 LEU 63 far 0 100 0 - 9.9-10.4 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 4 assignments used, quality = 1.00: * QD1 LEU 63 + HB2 LEU 63 OK 100 100 100 100 2.3-2.4 3.1=100 QD2 LEU 6 - HB2 LEU 63 far 0 98 0 - 5.9-6.9 QG2 ILE 7 - HB2 LEU 63 far 0 100 0 - 9.5-10.4 QD2 LEU 55 - HB2 LEU 63 far 0 99 0 - 9.9-10.9 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...(12) 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 58 94 80 78 2.6-3.4 9721=56, 9723/11261=23...(5) QE MET 42 - HB3 LEU 63 far 0 99 0 - 7.1-8.2 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 0 94 0 - 5.2-5.9 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 2.2-2.4 3.1=100 QG2 ILE 56 - HB3 LEU 63 far 0 77 0 - 4.8-5.3 QD1 LEU 6 - HB3 LEU 63 far 0 98 0 - 5.9-6.5 QD1 ILE 57 - HB3 LEU 63 far 0 100 0 - 9.4-10.1 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 2.2-2.4 3.1=100 QD2 LEU 6 - HB3 LEU 63 far 0 98 0 - 5.3-5.9 QD1 LEU 45 - HB3 LEU 63 far 0 84 0 - 9.3-10.3 QD2 LEU 55 - HB3 LEU 63 far 0 99 0 - 9.5-10.1 QG2 ILE 7 - HB3 LEU 63 far 0 100 0 - 9.7-10.6 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 2.3-2.9 1412=100, 1413/2.1=63...(12) 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 2.7-3.2 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): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 63 + HG LEU 63 OK 100 100 100 100 2.4-2.5 3.0=100 QE MET 67 - HG LEU 63 far 0 94 0 - 5.0-5.8 QE MET 42 - HG LEU 63 far 0 99 0 - 9.3-10.1 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 2 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 - 7.4-8.8 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 3 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 - 7.1-7.6 QD1 LEU 6 - HG LEU 63 far 0 98 0 - 8.0-8.6 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 - 7.7-8.4 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 3.1-3.9 1413=100, 1412/2.1=90...(11) 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 1.9-2.2 4714=100, 4715/2.1=47...(18) 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 4 assignments used, quality = 1.00: * HB2 LEU 63 + QD2 LEU 63 OK 100 100 100 100 3.2-3.2 3.1=100 QE MET 67 + QD2 LEU 63 OK 76 94 90 90 2.9-4.2 9721/3.1=54...(8) QE MET 42 - QD2 LEU 63 far 0 99 0 - 6.3-7.1 HG LEU 45 - QD2 LEU 63 far 0 90 0 - 10.0-10.8 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 3 assignments used, quality = 1.00: * HB3 LEU 63 + QD2 LEU 63 OK 100 100 100 100 2.2-2.4 3.1=100 HB3 LYS 61 - QD2 LEU 63 far 0 98 0 - 7.9-8.9 HG12 ILE 56 - QD2 LEU 63 far 0 100 0 - 8.8-9.9 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 - 6.4-6.6 HG3 LYS 40 - QD2 LEU 63 far 0 100 0 - 7.5-9.3 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 7 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 - 5.9-6.9 QD1 LEU 45 - QD2 LEU 63 far 0 84 0 - 8.1-8.9 QD2 LEU 45 - QD2 LEU 63 far 0 73 0 - 9.0-9.8 QG2 ILE 54 - QD2 LEU 63 far 0 99 0 - 9.1-9.9 QD2 LEU 55 - QD2 LEU 63 far 0 99 0 - 9.4-10.3 QG2 VAL 78 - QD2 LEU 63 far 0 73 0 - 9.7-10.7 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 3.7-3.9 1414=100, 1412/2.1=97...(13) H LEU 63 - QD2 LEU 6 far 0 84 0 - 7.3-7.9 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 9 assignments used, quality = 1.00: * HA LEU 63 + QD1 LEU 63 OK 100 100 100 100 3.8-3.8 4.0=100 HA LEU 45 + QD1 LEU 45 OK 24 24 100 100 3.8-3.9 4.0=100 HA LEU 63 - QD2 LEU 6 far 0 84 0 - 6.4-7.0 HA MET 1 - QD1 LEU 45 far 0 21 0 - 7.2-9.6 HB3 SER 72 - QD1 LEU 45 far 0 27 0 - 8.3-9.6 HB3 SER 72 - QD2 LEU 6 far 0 67 0 - 8.6-10.1 HB2 SER 72 - QD2 LEU 6 far 0 67 0 - 8.6-10.7 HB2 SER 72 - QD1 LEU 45 far 0 27 0 - 8.7-10.5 HA LEU 63 - QD1 LEU 45 far 0 36 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4746 from cnoeabs.peaks (1.87, 0.74, 25.21 ppm; 3.14 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 63 + QD1 LEU 63 OK 100 100 100 100 2.3-2.4 3.1=100 QE MET 67 + QD2 LEU 6 OK 54 74 90 82 2.3-3.4 9725=37, 3.3/9719=25...(12) HG LEU 45 + QD1 LEU 45 OK 28 28 100 100 2.1-2.1 2.1=100 QE MET 42 + QD1 LEU 45 OK 25 34 100 75 1.9-2.7 9431=54, 3804/9416=16...(6) QE MET 67 - QD1 LEU 63 far 0 94 0 - 3.4-4.3 QE MET 42 - QD2 LEU 6 far 0 81 0 - 4.0-4.7 QE MET 67 - QD1 LEU 45 far 0 30 0 - 5.0-6.4 HB2 LEU 63 - QD2 LEU 6 far 0 84 0 - 5.9-6.9 QE MET 42 - QD1 LEU 63 far 0 99 0 - 7.4-8.3 HG LEU 45 - QD2 LEU 6 far 0 69 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 4747 from cnoeabs.peaks (1.43, 0.74, 25.21 ppm; 2.91 A): 1 out of 16 assignments used, quality = 0.96: * HB3 LEU 63 + QD1 LEU 63 OK 96 100 100 96 2.2-2.4 3.1=80, 3.0/4715=32...(9) HG12 ILE 56 - QD2 LEU 6 far 0 84 0 - 3.9-4.5 HB3 LEU 4 - QD1 LEU 45 far 0 28 0 - 4.1-5.0 HG12 ILE 56 - QD1 LEU 45 far 0 36 0 - 4.3-5.2 HB2 LEU 4 - QD1 LEU 45 far 0 28 0 - 4.5-5.2 HB2 LEU 4 - QD2 LEU 6 far 0 69 0 - 4.5-5.4 HB3 LEU 4 - QD2 LEU 6 far 0 69 0 - 4.8-5.4 HG3 LYS 44 - QD1 LEU 45 far 0 27 0 - 5.2-6.7 HB3 LEU 63 - QD2 LEU 6 far 0 84 0 - 5.3-5.9 HG LEU 80 - QD2 LEU 6 far 0 58 0 - 6.5-7.0 HB3 LYS 61 - QD1 LEU 63 far 0 98 0 - 7.5-8.4 HG12 ILE 56 - QD1 LEU 63 far 0 100 0 - 8.8-9.5 HB3 LYS 61 - QD2 LEU 6 far 0 79 0 - 8.9-10.2 QB ALA 113 - QD2 LEU 6 far 0 55 0 - 9.3-9.9 HB3 LEU 63 - QD1 LEU 45 far 0 36 0 - 9.3-10.3 HB3 GLN 83 - QD2 LEU 6 far 0 79 0 - 9.7-10.6 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 9 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 0 74 0 - 5.3-5.6 HB3 LEU 64 - QD1 LEU 63 far 0 94 0 - 6.2-6.6 HG3 LYS 40 - QD1 LEU 45 far 0 36 0 - 7.7-10.4 HG LEU 63 - QD2 LEU 6 far 0 84 0 - 7.7-8.4 HG3 LYS 40 - QD1 LEU 63 far 0 100 0 - 8.5-10.4 HD2 LYS 77 - QD2 LEU 6 far 0 82 0 - 9.2-11.2 HB2 LEU 82 - QD2 LEU 6 far 0 84 0 - 9.2-9.6 HD3 LYS 77 - QD2 LEU 6 far 0 83 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 4749 from cnoeabs.peaks (0.71, 0.74, 25.21 ppm; 2.40 A): 3 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 1.9-2.1 2.1=100 QD2 LEU 45 + QD1 LEU 45 OK 21 21 100 100 1.9-2.1 2.1=100 QG2 ILE 56 - QD2 LEU 6 poor 6 58 40 25 2.2-3.2 4.0/11559=9, 3.2/11705=8...(4) QG2 VAL 78 - QD2 LEU 6 far 0 55 0 - 4.0-5.1 QG2 VAL 78 - QD1 LEU 45 far 0 21 0 - 4.4-4.9 QG2 ILE 56 - QD1 LEU 63 far 0 77 0 - 4.7-5.4 QG2 ILE 56 - QD1 LEU 45 far 0 23 0 - 5.0-5.8 QD2 LEU 63 - QD2 LEU 6 far 0 84 0 - 5.9-6.9 QD1 ILE 57 - QD2 LEU 6 far 0 83 0 - 6.0-6.8 QD1 LEU 6 - QD1 LEU 63 far 0 98 0 - 6.4-7.0 QD2 LEU 45 - QD2 LEU 6 far 0 55 0 - 6.7-7.7 QD2 LEU 81 - QD2 LEU 6 far 0 83 0 - 7.1-7.6 QG2 ILE 18 - QD2 LEU 6 far 0 74 0 - 7.4-8.0 QG1 VAL 117 - QD2 LEU 6 far 0 67 0 - 7.5-8.0 QD1 LEU 6 - QD1 LEU 45 far 0 33 0 - 7.9-8.5 QD1 ILE 57 - QD1 LEU 63 far 0 100 0 - 7.9-8.4 QD2 LEU 63 - QD1 LEU 45 far 0 36 0 - 8.1-8.9 QD1 ILE 57 - QD1 LEU 45 far 0 35 0 - 9.5-10.1 QD2 LEU 45 - QD1 LEU 63 far 0 73 0 - 9.5-10.4 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 2.8-2.9 2.9=100 H GLU 69 - HA LEU 64 far 0 100 0 - 6.7-7.0 H ASP 34 - HA LEU 64 far 0 92 0 - 9.7-9.9 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 4 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.3-2.3 3.0=100 HB ILE 3 - HA GLU 128 far 0 56 0 - 5.0-7.6 HB VAL 32 - HA LEU 64 far 0 84 0 - 6.5-7.0 HB ILE 97 - HA LEU 64 far 0 61 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4754 from cnoeabs.peaks (1.63, 3.91, 57.78 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 84 84 100 100 2.8-2.9 3.7=100 HB3 LEU 127 - HA GLU 128 far 0 59 0 - 4.5-5.0 HG LEU 63 - HA LEU 64 far 0 94 0 - 6.5-6.7 HD3 LYS 77 - HA GLU 128 far 0 85 0 - 8.1-11.5 HD2 LYS 77 - HA GLU 128 far 0 86 0 - 9.4-11.6 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 7 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 100 100 2.8-2.9 3.7=100 HB3 LEU 64 + HA LEU 64 OK 84 84 100 100 3.0-3.0 3.0=100 HD3 LYS 65 - HA LEU 64 far 0 94 0 - 6.7-7.9 HD2 LYS 65 - HA LEU 64 far 0 87 0 - 7.1-8.8 HD3 LYS 77 - HA GLU 128 far 0 49 0 - 8.1-11.5 HD2 LYS 77 - HA GLU 128 far 0 52 0 - 9.4-11.6 HB2 GLU 52 - HA GLU 128 far 0 66 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4756 from cnoeabs.peaks (0.81, 3.91, 57.78 ppm; 3.61 A increased from 3.40 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 3.6-3.6 4780=95, 4781/3.0=65...(14) QD2 LEU 82 - HA LEU 64 far 0 90 0 - 6.0-6.7 QG2 ILE 71 - HA LEU 64 far 0 100 0 - 8.4-8.9 QD1 LEU 74 - HA LEU 64 far 0 100 0 - 9.7-10.6 Violated in 1 structures by 0.00 A. Peak 4757 from cnoeabs.peaks (0.78, 3.91, 57.78 ppm; 3.86 A increased from 3.43 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 3.6-3.7 3.8=100 QD1 LEU 80 - HA LEU 64 far 0 96 0 - 4.9-5.5 QD2 LEU 80 - HA LEU 64 far 0 97 0 - 5.7-6.5 QD1 LEU 82 - HA LEU 64 far 0 99 0 - 7.6-8.2 QD1 ILE 7 - HA LEU 64 far 0 73 0 - 9.1-9.5 QD1 ILE 15 - HA LEU 64 far 0 61 0 - 9.7-10.6 Violated in 0 structures by 0.00 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 2.8-3.0 3.6=100 H GLU 69 - HB2 LEU 64 far 0 100 0 - 8.4-8.7 HD21 ASN 10 - HB2 LEU 64 far 0 77 0 - 9.1-12.9 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 2.3-2.3 3.0=100 HA LEU 38 - HB2 LEU 64 far 0 99 0 - 9.3-9.9 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 4 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 2.7-2.7 3.0=100 HG LEU 63 - HB2 LEU 64 far 0 94 0 - 6.7-7.3 HB2 LEU 82 - HB2 LEU 64 far 0 96 0 - 8.7-9.3 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 4 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.7-2.7 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 0 94 0 - 6.5-8.0 HD2 LYS 65 - HB2 LEU 64 far 0 87 0 - 6.6-9.1 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 3 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.0-2.2 3.1=100 QD2 LEU 82 - HB2 LEU 64 far 0 90 0 - 4.3-4.9 QG2 ILE 71 - HB2 LEU 64 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 4764 from cnoeabs.peaks (0.78, 1.79, 41.35 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 3.1-3.1 3.1=100 QD1 LEU 80 - HB2 LEU 64 far 0 96 0 - 4.2-4.7 QD2 LEU 80 - HB2 LEU 64 far 0 97 0 - 5.3-6.0 QD1 LEU 82 - HB2 LEU 64 far 0 99 0 - 6.2-6.8 QD1 ILE 15 - HB2 LEU 64 far 0 61 0 - 8.6-9.7 QD1 ILE 7 - HB2 LEU 64 far 0 73 0 - 8.6-9.0 QD1 LEU 81 - HB2 LEU 64 far 0 98 0 - 9.3-9.8 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 2.2-2.3 3.6=100 H GLU 69 - HB3 LEU 64 far 0 100 0 - 7.9-8.2 HD21 ASN 10 - HB3 LEU 64 far 0 77 0 - 9.5-13.1 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 3.0-3.0 3.0=100 HA LEU 38 - HB3 LEU 64 far 0 99 0 - 10.0-10.6 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 ILE 97 - HB3 LEU 64 far 0 61 0 - 8.2-8.7 HB VAL 32 - HB3 LEU 64 far 0 84 0 - 8.5-9.1 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 2 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.6-2.7 3.1=100 QD2 LEU 82 - HB3 LEU 64 far 0 90 0 - 4.4-5.1 Violated in 0 structures by 0.00 A. Peak 4771 from cnoeabs.peaks (0.78, 1.63, 41.35 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.0-2.0 3.1=100 QD1 LEU 80 - HB3 LEU 64 far 0 96 0 - 4.9-5.2 QD2 LEU 80 - HB3 LEU 64 far 0 97 0 - 5.5-6.0 QD1 LEU 82 - HB3 LEU 64 far 0 99 0 - 6.0-6.7 QD1 ILE 15 - HB3 LEU 64 far 0 61 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 4772 from cnoeabs.peaks (7.63, 1.64, 26.77 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.77: H LYS 115 + HG LEU 114 OK 77 77 100 99 3.8-4.0 722=82, 720/3.0=60...(7) ! H LEU 64 - HG LEU 64 far 0 100 0 - 4.4-4.5 H GLU 69 - HG LEU 64 far 0 100 0 - 6.4-6.9 HD21 ASN 10 - HG LEU 90 far 0 75 0 - 9.1-14.2 Violated in 0 structures by 0.00 A. Peak 4773 from cnoeabs.peaks (3.91, 1.64, 26.77 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.8-2.9 3.7=100 HA ARG 118 - HG LEU 114 far 0 64 0 - 9.4-10.0 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 7 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.7-2.7 3.0=100 HB2 LEU 90 + HG LEU 90 OK 82 82 100 100 2.4-2.4 3.0=100 HB ILE 97 - HG LEU 64 far 0 61 0 - 6.6-7.3 HB2 ARG 118 - HG LEU 114 far 0 75 0 - 8.9-10.0 HB VAL 32 - HG LEU 64 far 0 84 0 - 9.1-9.7 HB ILE 97 - HG LEU 90 far 0 60 0 - 9.1-9.7 HG2 ARG 105 - HG LEU 90 far 0 71 0 - 9.8-11.2 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 6 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 far 0 90 0 - 4.3-4.9 QD2 LEU 82 - HG LEU 90 far 0 88 0 - 5.7-6.8 QG2 ILE 71 - HG LEU 64 far 0 100 0 - 8.0-8.6 QD1 LEU 64 - HG LEU 90 far 0 99 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 4778 from cnoeabs.peaks (0.78, 1.64, 26.77 ppm; 2.95 A): 1 out of 14 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 poor 9 96 35 28 2.7-3.4 9924/10128=13...(4) QD2 LEU 80 - HG LEU 64 far 0 97 0 - 3.4-4.1 QD1 LEU 82 - HG LEU 90 far 0 98 0 - 4.2-5.0 QD1 LEU 82 - HG LEU 64 far 0 99 0 - 5.5-6.1 QD1 LEU 81 - HG LEU 90 far 0 97 0 - 7.3-7.8 QD1 ILE 7 - HG LEU 114 far 0 57 0 - 7.5-8.0 QD1 LEU 81 - HG LEU 114 far 0 83 0 - 7.7-8.1 QD2 LEU 80 - HG LEU 90 far 0 96 0 - 7.9-8.6 QD1 ILE 15 - HG LEU 114 far 0 47 0 - 8.3-10.9 QD1 LEU 80 - HG LEU 90 far 0 94 0 - 8.4-9.2 QD1 ILE 7 - HG LEU 64 far 0 73 0 - 8.8-9.2 QD1 LEU 81 - HG LEU 64 far 0 98 0 - 9.0-9.6 QD2 LEU 64 - HG LEU 90 far 0 99 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4779 from cnoeabs.peaks (7.63, 0.81, 24.93 ppm; 4.46 A increased from 4.20 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 4.3-4.4 1420=99, 1421/2.1=85...(8) H LYS 115 - QD1 LEU 114 far 8 56 15 - 4.3-4.8 HD21 ASN 10 - QD1 LEU 64 far 0 77 0 - 7.2-10.8 H GLU 69 - QD1 LEU 64 far 0 100 0 - 7.3-7.7 H GLN 100 - QD1 LEU 64 far 0 100 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4780 from cnoeabs.peaks (3.91, 0.81, 24.93 ppm; 3.67 A increased from 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 3.6-3.6 4756=100, 3.0/4781=67...(14) HA ARG 118 - QD1 LEU 114 far 0 45 0 - 8.1-8.7 HA LEU 38 - QD1 LEU 64 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 4781 from cnoeabs.peaks (1.79, 0.81, 24.93 ppm; 3.09 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.0-2.2 3.1=95, 1.8/4782=42...(16) HB ILE 97 - QD1 LEU 64 far 0 61 0 - 5.2-5.9 HB2 ARG 118 - QD1 LEU 114 far 0 54 0 - 7.3-8.6 HB VAL 32 - QD1 LEU 64 far 0 84 0 - 8.1-8.6 HB2 LYS 19 - QD1 LEU 114 far 0 65 0 - 8.7-9.1 HB2 LEU 90 - QD1 LEU 64 far 0 84 0 - 9.5-10.0 HG2 ARG 105 - QD1 LEU 64 far 0 73 0 - 9.8-10.6 Violated in 0 structures by 0.00 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 2.6-2.7 3.1=65, 1.8/4781=54...(11) 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 - 5.2-5.7 HG2 LYS 16 - QD1 LEU 114 far 0 65 0 - 6.3-8.8 HB ILE 116 - QD1 LEU 114 far 0 65 0 - 7.5-8.1 HG LEU 63 - QD1 LEU 64 far 0 94 0 - 7.7-8.2 HG LEU 90 - QD1 LEU 64 far 0 92 0 - 8.5-9.1 HB ILE 5 - QD1 LEU 64 far 0 70 0 - 8.9-9.3 HB ILE 116 - QD1 LEU 64 far 0 100 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 4783 from cnoeabs.peaks (1.64, 0.81, 24.93 ppm; 2.72 A): 3 out of 12 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 80 84 100 96 2.6-2.7 3.1=65, 1.8/4781=54...(11) HG LEU 114 + QD1 LEU 114 OK 56 56 100 100 2.1-2.1 2.1=100 HD2 LYS 115 - QD1 LEU 114 far 0 45 0 - 4.0-8.1 HD3 LYS 115 - QD1 LEU 114 far 0 38 0 - 4.4-8.5 HD2 LYS 65 - QD1 LEU 64 far 0 87 0 - 5.8-7.8 HD3 LYS 65 - QD1 LEU 64 far 0 94 0 - 6.0-6.9 HG2 LYS 16 - QD1 LEU 114 far 0 43 0 - 6.3-8.8 HB ILE 116 - QD1 LEU 114 far 0 50 0 - 7.5-8.1 HG LEU 90 - QD1 LEU 64 far 0 100 0 - 8.5-9.1 HB ILE 5 - QD1 LEU 64 far 0 99 0 - 8.9-9.3 HB ILE 116 - QD1 LEU 64 far 0 87 0 - 10.0-10.5 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): 1 out of 11 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 80 - QD1 LEU 64 lone 3 96 100 4 1.8-1.9 4778/2.1=3 QD2 LEU 80 - QD1 LEU 64 far 0 97 0 - 2.5-3.2 QD1 LEU 82 - QD1 LEU 64 far 0 99 0 - 3.2-3.9 QD1 LEU 81 - QD1 LEU 64 far 0 98 0 - 6.3-6.7 QD1 ILE 7 - QD1 LEU 64 far 0 73 0 - 6.6-7.0 QD1 ILE 7 - QD1 LEU 114 far 0 40 0 - 7.3-7.5 QD1 ILE 15 - QD1 LEU 114 far 0 33 0 - 7.4-9.4 QD1 ILE 15 - QD1 LEU 64 far 0 61 0 - 7.5-8.8 QD1 LEU 81 - QD1 LEU 114 far 0 61 0 - 8.0-8.4 QG1 VAL 29 - QD1 LEU 114 far 0 38 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 4786 from cnoeabs.peaks (7.63, 0.78, 24.57 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.5-3.7 1421=100, 1419/3.1=79...(10) H GLU 69 - QD2 LEU 64 far 0 100 0 - 5.4-5.7 H GLN 100 - QD2 LEU 64 far 0 100 0 - 8.0-8.5 HD21 ASN 10 - QD2 LEU 64 far 0 77 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 4787 from cnoeabs.peaks (3.91, 0.78, 24.57 ppm; 3.78 A increased from 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.6-3.7 3.8=99, 4756/2.1=74...(19) HA LEU 38 - QD2 LEU 64 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 4788 from cnoeabs.peaks (1.79, 0.78, 24.57 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.1-3.1 3.1=100 HB ILE 97 - QD2 LEU 64 far 0 61 0 - 4.5-5.0 HB VAL 32 - QD2 LEU 64 far 0 84 0 - 8.9-9.4 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 5 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 98 100 100 98 2.0-2.0 3.1=73, 3.0/4787=31...(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 - 6.3-7.0 HG LEU 63 - QD2 LEU 64 far 0 94 0 - 7.4-7.8 HG LEU 90 - QD2 LEU 64 far 0 92 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4790 from cnoeabs.peaks (1.64, 0.78, 24.57 ppm; 2.83 A): 2 out of 5 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 81 84 100 97 2.0-2.0 3.1=73, 3.0/4787=31...(12) HD2 LYS 65 - QD2 LEU 64 far 0 87 0 - 3.7-5.3 HD3 LYS 65 - QD2 LEU 64 far 0 94 0 - 3.8-4.4 HG LEU 90 - QD2 LEU 64 far 0 100 0 - 9.2-9.8 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 4 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 82 - QD2 LEU 64 far 0 90 0 - 3.0-3.6 QG2 ILE 71 - QD2 LEU 64 far 0 100 0 - 7.8-8.4 QD1 LEU 74 - QD2 LEU 64 far 0 100 0 - 9.7-10.6 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 2.8-2.8 3.0=100 H SER 72 - HA LYS 65 far 0 77 0 - 8.5-8.8 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 3 assignments used, quality = 1.00: * HB2 LYS 65 + HA LYS 65 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 65 + HA LYS 65 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LEU 70 - HA LYS 65 far 0 96 0 - 8.0-8.5 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 3 assignments used, quality = 1.00: * HB3 LYS 65 + HA LYS 65 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LYS 65 + HA LYS 65 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 70 - HA LYS 65 far 0 94 0 - 8.0-8.5 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 2.8-3.4 3.9=69, 1.8/4798=64...(37) HB VAL 78 - HA LYS 65 far 0 96 0 - 9.8-10.4 Violated in 0 structures by 0.00 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 2.2-3.0 3.9=88, 1.8/4797=81...(40) Violated in 0 structures by 0.00 A. Peak 4799 from cnoeabs.peaks (1.65, 3.79, 60.23 ppm; 3.91 A increased from 3.68 A): 1 out of 3 assignments used, quality = 0.80: HG LEU 64 + HA LYS 65 OK 80 87 100 93 3.7-3.9 5796/3.0=42, ~397=34...(10) ! HD2 LYS 65 - HA LYS 65 far 15 100 15 - 3.9-5.0 HD3 LYS 65 - HA LYS 65 far 0 100 0 - 4.1-4.9 Violated in 2 structures by 0.00 A. Peak 4800 from cnoeabs.peaks (1.65, 3.79, 60.23 ppm; 3.91 A increased from 3.68 A): 1 out of 3 assignments used, quality = 0.88: HG LEU 64 + HA LYS 65 OK 88 94 100 94 3.7-3.9 5796/3.0=49, ~397=34...(10) HD2 LYS 65 - HA LYS 65 far 15 100 15 - 3.9-5.0 ! HD3 LYS 65 - HA LYS 65 far 0 100 0 - 4.1-4.9 Violated in 2 structures by 0.00 A. Peak 4803 from cnoeabs.peaks (8.04, 1.93, 32.27 ppm; 3.38 A): 2 out of 11 assignments used, quality = 1.00: * H LYS 65 + HB2 LYS 65 OK 99 100 100 99 2.7-3.0 1424=69, 1908/7623=52...(16) H LYS 65 + HB3 LYS 65 OK 45 100 45 99 2.2-3.6 4.0=61, 1424/1.8=54...(16) H GLN 122 - HB2 LYS 123 far 0 73 0 - 4.5-6.3 H ARG 118 - HB3 LYS 115 far 0 83 0 - 4.9-5.6 H ARG 118 - HB2 LYS 115 far 0 75 0 - 5.2-5.8 H ASP 109 - HB3 LYS 115 far 0 98 0 - 7.7-10.3 H ASP 109 - HB2 LYS 115 far 0 92 0 - 7.9-9.6 H ARG 118 - HB2 LYS 123 far 0 86 0 - 9.1-11.5 H GLN 122 - HB3 LYS 115 far 0 69 0 - 9.3-11.1 H SER 72 - HB3 LYS 65 far 0 77 0 - 9.5-11.2 H GLN 122 - HB2 LYS 115 far 0 62 0 - 10.0-10.9 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 3.0-3.0 3.0=100 HA LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.4-2.7 3.0=100 HA LYS 115 + HB3 LYS 115 OK 95 95 100 100 2.3-3.0 3.0=100 HA LYS 115 + HB2 LYS 115 OK 88 88 100 100 2.3-3.0 3.0=100 HA ALA 113 - HB3 LYS 115 far 0 95 0 - 5.1-7.2 HA ALA 113 - HB2 LYS 115 far 0 88 0 - 5.2-6.9 HA LEU 68 - HB3 LYS 65 far 0 77 0 - 7.3-8.3 HA LEU 68 - HB2 LYS 65 far 0 77 0 - 7.7-8.1 HB2 SER 58 - HB3 LYS 65 far 0 80 0 - 8.3-10.3 HB2 SER 58 - HB2 LYS 65 far 0 81 0 - 9.0-9.4 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): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.3-2.7 2.9=95, 4797/3.0=36...(40) HG2 LYS 115 + HB2 LYS 115 OK 52 75 70 100 2.3-3.0 3.0=91, 6703/3.0=24...(42) HG2 LYS 115 + HB3 LYS 115 OK 33 83 40 100 2.2-3.0 3.0=91, 6703/3.0=24...(42) HG2 LYS 65 - HB3 LYS 65 far 0 100 0 - 3.0-3.0 QB ALA 46 - HB2 LYS 39 far 0 79 0 - 7.5-8.9 HG12 ILE 3 - HB2 LYS 123 far 0 86 0 - 8.1-9.9 QB ALA 46 - HB3 LYS 39 far 0 42 0 - 8.6-10.1 QB ALA 46 - HB3 LYS 40 far 0 69 0 - 9.5-10.0 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 3.0-3.0 2.9=100 HG3 LYS 65 + HB3 LYS 65 OK 100 100 100 100 2.3-2.7 2.9=100 HG2 LYS 77 - HB2 LYS 123 far 0 89 0 - 5.4-8.0 HG LEU 81 - HB3 LYS 115 far 0 98 0 - 8.9-10.9 HG LEU 81 - HB2 LYS 115 far 0 92 0 - 9.1-10.8 HB3 LEU 81 - HB2 LYS 115 far 0 75 0 - 9.2-11.2 HB3 LEU 81 - HB3 LYS 115 far 0 83 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4809 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.97 A increased from 2.64 A): 7 out of 14 assignments used, quality = 1.00: HD3 LYS 65 + HB2 LYS 65 OK 84 100 85 100 2.1-3.8 3.4=67, 3.0/4807=26...(74) HD2 LYS 115 + HB3 LYS 115 OK 72 98 75 98 2.6-3.8 3.7=52, 6735/3.0=28...(48) HD2 LYS 115 + HB2 LYS 115 OK 72 92 80 99 2.6-4.2 3.7=52, 6735/3.0=28...(46) HD3 LYS 115 + HB3 LYS 115 OK 62 96 65 99 2.1-4.0 3.7=52, 6705/3.0=31...(49) HD3 LYS 65 + HB3 LYS 65 OK 50 100 50 100 2.2-3.7 3.4=67, 4839/2.9=21...(76) HD3 LYS 115 + HB2 LYS 115 OK 31 89 35 99 2.4-3.6 3.7=52, 6705/3.0=31...(48) HD2 LYS 65 + HB3 LYS 65 OK 30 100 30 100 2.4-4.0 3.4=67, 4848/2.9=33...(78) ! HD2 LYS 65 - HB2 LYS 65 far 15 100 15 - 2.9-3.9 HG LEU 64 - HB3 LYS 65 far 0 87 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 97 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 91 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 87 0 - 6.0-6.1 HB2 ARG 30 - HB3 LYS 40 far 0 69 0 - 8.1-10.5 HD2 LYS 49 - HB3 LYS 40 far 0 69 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 4810 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.97 A increased from 2.64 A): 7 out of 14 assignments used, quality = 1.00: * HD3 LYS 65 + HB2 LYS 65 OK 85 100 85 100 2.1-3.8 3.4=67, 3.0/4807=26...(74) HD2 LYS 115 + HB3 LYS 115 OK 71 96 75 98 2.6-3.8 3.7=52, 6735/3.0=27...(48) HD2 LYS 115 + HB2 LYS 115 OK 70 89 80 99 2.6-4.2 3.7=52, 6735/3.0=27...(46) HD3 LYS 115 + HB3 LYS 115 OK 59 92 65 99 2.1-4.0 3.7=52, 6705/3.0=30...(49) HD3 LYS 65 + HB3 LYS 65 OK 50 100 50 100 2.2-3.7 3.4=67, 4840/2.9=21...(76) HD2 LYS 65 + HB3 LYS 65 OK 30 100 30 100 2.4-4.0 3.4=67, 4848/2.9=33...(78) HD3 LYS 115 + HB2 LYS 115 OK 29 85 35 99 2.4-3.6 3.7=52, 6705/3.0=30...(48) HD2 LYS 65 - HB2 LYS 65 far 15 100 15 - 2.9-3.9 HG LEU 64 - HB3 LYS 65 far 0 94 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 98 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 92 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 94 0 - 6.0-6.1 HB2 ARG 30 - HB3 LYS 40 far 0 68 0 - 8.1-10.5 HD2 LYS 49 - HB3 LYS 40 far 0 68 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 4811 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 4 out of 24 assignments used, quality = 0.99: * HE2 LYS 65 + HB2 LYS 65 OK 80 100 80 100 2.4-4.7 4.8=58, 3.7/4807=35...(68) HE2 LYS 65 + HB3 LYS 65 OK 75 100 75 100 2.0-4.6 4.8=58, 1.8/4875=27...(68) HE3 LYS 65 + HB2 LYS 65 OK 65 100 65 100 2.0-5.0 4.8=58, 3.7/4807=35...(68) HE3 LYS 65 + HB3 LYS 65 OK 60 100 60 100 2.4-4.6 4.8=58, 1.8/4875=22...(68) HE3 LYS 115 - HB3 LYS 115 poor 19 94 20 - 2.3-5.0 HE2 LYS 115 - HB3 LYS 115 poor 19 94 20 - 3.1-5.0 HE3 LYS 115 - HB2 LYS 115 poor 17 86 20 - 2.0-5.1 HE2 LYS 115 - HB2 LYS 115 poor 17 86 20 - 2.3-5.0 HE3 LYS 44 - HB3 LYS 40 far 2 48 5 - 3.9-9.7 HE2 LYS 44 - HB3 LYS 40 far 0 48 0 - 4.9-8.3 HE3 LYS 96 - HB3 LYS 65 far 0 80 0 - 5.5-12.4 HE2 LYS 96 - HB3 LYS 65 far 0 80 0 - 5.6-12.0 HE3 LYS 96 - HB2 LYS 65 far 0 81 0 - 7.0-13.8 HE2 LYS 96 - HB2 LYS 65 far 0 81 0 - 7.0-13.0 HD3 ARG 30 - HB3 LYS 40 far 0 40 0 - 7.5-11.3 HB2 ASP 34 - HB3 LYS 39 far 0 38 0 - 8.3-10.1 HB2 ASP 34 - HB3 LYS 40 far 0 63 0 - 8.4-10.5 HE3 LYS 44 - HB3 LYS 39 far 0 29 0 - 9.2-13.8 HE3 LYS 17 - HB2 LYS 115 far 0 62 0 - 9.3-11.2 HE2 LYS 44 - HB3 LYS 39 far 0 29 0 - 9.4-12.9 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 9.6-11.6 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.7-13.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.9-12.7 HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4812 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 4 out of 24 assignments used, quality = 0.99: HE2 LYS 65 + HB2 LYS 65 OK 80 100 80 100 2.4-4.7 4.8=58, 3.7/4807=35...(68) HE2 LYS 65 + HB3 LYS 65 OK 75 100 75 100 2.0-4.6 4.8=58, 1.8/4875=27...(68) * HE3 LYS 65 + HB2 LYS 65 OK 65 100 65 100 2.0-5.0 4.8=58, 3.7/4807=35...(68) HE3 LYS 65 + HB3 LYS 65 OK 60 100 60 100 2.4-4.6 4.8=58, 1.8/4875=22...(68) HE3 LYS 115 - HB3 LYS 115 poor 19 94 20 - 2.3-5.0 HE2 LYS 115 - HB3 LYS 115 poor 19 94 20 - 3.1-5.0 HE3 LYS 115 - HB2 LYS 115 poor 17 86 20 - 2.0-5.1 HE2 LYS 115 - HB2 LYS 115 poor 17 86 20 - 2.3-5.0 HE3 LYS 44 - HB3 LYS 40 far 2 48 5 - 3.9-9.7 HE2 LYS 44 - HB3 LYS 40 far 0 48 0 - 4.9-8.3 HE3 LYS 96 - HB3 LYS 65 far 0 80 0 - 5.5-12.4 HE2 LYS 96 - HB3 LYS 65 far 0 80 0 - 5.6-12.0 HE3 LYS 96 - HB2 LYS 65 far 0 81 0 - 7.0-13.8 HE2 LYS 96 - HB2 LYS 65 far 0 81 0 - 7.0-13.0 HD3 ARG 30 - HB3 LYS 40 far 0 40 0 - 7.5-11.3 HB2 ASP 34 - HB3 LYS 39 far 0 38 0 - 8.3-10.1 HB2 ASP 34 - HB3 LYS 40 far 0 63 0 - 8.4-10.5 HE3 LYS 44 - HB3 LYS 39 far 0 29 0 - 9.2-13.8 HE3 LYS 17 - HB2 LYS 115 far 0 62 0 - 9.3-11.2 HE2 LYS 44 - HB3 LYS 39 far 0 29 0 - 9.4-12.9 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 9.6-11.6 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.7-13.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.9-12.7 HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4813 from cnoeabs.peaks (8.04, 1.93, 32.27 ppm; 3.38 A): 2 out of 11 assignments used, quality = 1.00: H LYS 65 + HB2 LYS 65 OK 99 100 100 99 2.7-3.0 1425=69, 1908/7624=52...(16) * H LYS 65 + HB3 LYS 65 OK 45 100 45 99 2.2-3.6 4.0=61, 1424/1.8=54...(16) H GLN 122 - HB2 LYS 123 far 0 72 0 - 4.5-6.3 H ARG 118 - HB3 LYS 115 far 0 83 0 - 4.9-5.6 H ARG 118 - HB2 LYS 115 far 0 77 0 - 5.2-5.8 H ASP 109 - HB3 LYS 115 far 0 98 0 - 7.7-10.3 H ASP 109 - HB2 LYS 115 far 0 94 0 - 7.9-9.6 H ARG 118 - HB2 LYS 123 far 0 86 0 - 9.1-11.5 H GLN 122 - HB3 LYS 115 far 0 69 0 - 9.3-11.1 H SER 72 - HB3 LYS 65 far 0 77 0 - 9.5-11.2 H GLN 122 - HB2 LYS 115 far 0 64 0 - 10.0-10.9 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 2.4-2.7 3.0=100 HA LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 115 + HB3 LYS 115 OK 95 95 100 100 2.3-3.0 3.0=100 HA LYS 115 + HB2 LYS 115 OK 90 90 100 100 2.3-3.0 3.0=100 HA ALA 113 - HB3 LYS 115 far 0 95 0 - 5.1-7.2 HA ALA 113 - HB2 LYS 115 far 0 90 0 - 5.2-6.9 HA LEU 68 - HB3 LYS 65 far 0 77 0 - 7.3-8.3 HA LEU 68 - HB2 LYS 65 far 0 77 0 - 7.7-8.1 HB2 SER 58 - HB3 LYS 65 far 0 81 0 - 8.3-10.3 HB2 SER 58 - HB2 LYS 65 far 0 80 0 - 9.0-9.4 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): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 65 + HB2 LYS 65 OK 100 100 100 100 2.3-2.7 2.9=95, 4797/3.0=36...(40) HG2 LYS 115 + HB2 LYS 115 OK 54 77 70 100 2.3-3.0 3.0=91, 6703/3.0=24...(42) HG2 LYS 115 + HB3 LYS 115 OK 33 83 40 100 2.2-3.0 3.0=91, 6703/3.0=24...(42) ! HG2 LYS 65 - HB3 LYS 65 far 0 100 0 - 3.0-3.0 QB ALA 46 - HB2 LYS 39 far 0 78 0 - 7.5-8.9 HG12 ILE 3 - HB2 LYS 123 far 0 86 0 - 8.1-9.9 QB ALA 46 - HB3 LYS 39 far 0 38 0 - 8.6-10.1 QB ALA 46 - HB3 LYS 40 far 0 64 0 - 9.5-10.0 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 2.3-2.7 2.9=100 HG3 LYS 65 + HB2 LYS 65 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 LYS 77 - HB2 LYS 123 far 0 89 0 - 5.4-8.0 HG LEU 81 - HB3 LYS 115 far 0 98 0 - 8.9-10.9 HG LEU 81 - HB2 LYS 115 far 0 94 0 - 9.1-10.8 HB3 LEU 81 - HB2 LYS 115 far 0 77 0 - 9.2-11.2 HB3 LEU 81 - HB3 LYS 115 far 0 83 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4819 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.97 A increased from 2.64 A): 7 out of 14 assignments used, quality = 1.00: HD3 LYS 65 + HB2 LYS 65 OK 84 100 85 100 2.1-3.8 3.4=67, 3.0/4807=26...(74) HD2 LYS 115 + HB2 LYS 115 OK 74 94 80 99 2.6-4.2 3.7=52, 6735/3.0=28...(46) HD2 LYS 115 + HB3 LYS 115 OK 72 98 75 99 2.6-3.8 3.7=52, 6735/3.0=28...(48) HD3 LYS 115 + HB3 LYS 115 OK 62 96 65 99 2.1-4.0 3.7=52, 6705/3.0=31...(50) HD3 LYS 65 + HB3 LYS 65 OK 50 100 50 100 2.2-3.7 3.4=67, 4839/2.9=21...(76) HD3 LYS 115 + HB2 LYS 115 OK 32 91 35 99 2.4-3.6 3.7=52, 6705/3.0=31...(48) * HD2 LYS 65 + HB3 LYS 65 OK 30 100 30 100 2.4-4.0 3.4=67, 4848/2.9=33...(78) HD2 LYS 65 - HB2 LYS 65 far 15 100 15 - 2.9-3.9 HG LEU 64 - HB3 LYS 65 far 0 87 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 97 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 93 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 87 0 - 6.0-6.1 HB2 ARG 30 - HB3 LYS 40 far 0 64 0 - 8.1-10.5 HD2 LYS 49 - HB3 LYS 40 far 0 64 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 4820 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.97 A increased from 2.64 A): 7 out of 14 assignments used, quality = 1.00: HD3 LYS 65 + HB2 LYS 65 OK 85 100 85 100 2.1-3.8 3.4=67, 3.0/4807=26...(74) HD2 LYS 115 + HB2 LYS 115 OK 72 91 80 99 2.6-4.2 3.7=52, 6735/3.0=27...(46) HD2 LYS 115 + HB3 LYS 115 OK 71 96 75 98 2.6-3.8 3.7=52, 6735/3.0=27...(48) HD3 LYS 115 + HB3 LYS 115 OK 59 92 65 99 2.1-4.0 3.7=52, 6705/3.0=30...(50) * HD3 LYS 65 + HB3 LYS 65 OK 50 100 50 100 2.2-3.7 3.4=67, 4840/2.9=21...(76) HD3 LYS 115 + HB2 LYS 115 OK 30 87 35 99 2.4-3.6 3.7=52, 6705/3.0=30...(48) HD2 LYS 65 + HB3 LYS 65 OK 30 100 30 100 2.4-4.0 3.4=67, 4848/2.9=33...(78) HD2 LYS 65 - HB2 LYS 65 far 15 100 15 - 2.9-3.9 HG LEU 64 - HB3 LYS 65 far 0 94 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 98 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 94 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 94 0 - 6.0-6.1 HB2 ARG 30 - HB3 LYS 40 far 0 63 0 - 8.1-10.5 HD2 LYS 49 - HB3 LYS 40 far 0 64 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 4 out of 24 assignments used, quality = 0.99: HE2 LYS 65 + HB2 LYS 65 OK 80 100 80 100 2.4-4.7 4.8=58, 3.7/4807=35...(68) * HE2 LYS 65 + HB3 LYS 65 OK 75 100 75 100 2.0-4.6 4.8=58, 1.8/4876=27...(68) HE3 LYS 65 + HB2 LYS 65 OK 65 100 65 100 2.0-5.0 4.8=58, 3.7/4807=35...(68) HE3 LYS 65 + HB3 LYS 65 OK 60 100 60 100 2.4-4.6 4.8=58, 1.8/4876=22...(68) HE3 LYS 115 - HB3 LYS 115 poor 19 93 20 - 2.3-5.0 HE2 LYS 115 - HB3 LYS 115 poor 19 93 20 - 3.1-5.0 HE3 LYS 115 - HB2 LYS 115 poor 18 89 20 - 2.0-5.1 HE2 LYS 115 - HB2 LYS 115 poor 18 89 20 - 2.3-5.0 HE3 LYS 44 - HB3 LYS 40 far 2 45 5 - 3.9-9.7 HE2 LYS 44 - HB3 LYS 40 far 0 45 0 - 4.9-8.3 HE3 LYS 96 - HB3 LYS 65 far 0 81 0 - 5.5-12.4 HE2 LYS 96 - HB3 LYS 65 far 0 81 0 - 5.6-12.0 HE3 LYS 96 - HB2 LYS 65 far 0 80 0 - 7.0-13.8 HE2 LYS 96 - HB2 LYS 65 far 0 80 0 - 7.0-13.0 HD3 ARG 30 - HB3 LYS 40 far 0 37 0 - 7.5-11.3 HB2 ASP 34 - HB3 LYS 39 far 0 35 0 - 8.3-10.1 HB2 ASP 34 - HB3 LYS 40 far 0 59 0 - 8.4-10.5 HE3 LYS 44 - HB3 LYS 39 far 0 26 0 - 9.2-13.8 HE3 LYS 17 - HB2 LYS 115 far 0 64 0 - 9.3-11.2 HE2 LYS 44 - HB3 LYS 39 far 0 26 0 - 9.4-12.9 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 9.6-11.6 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.7-13.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.9-12.7 HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4822 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 4 out of 24 assignments used, quality = 0.99: HE2 LYS 65 + HB2 LYS 65 OK 80 100 80 100 2.4-4.7 4.8=58, 3.7/4807=35...(68) HE2 LYS 65 + HB3 LYS 65 OK 75 100 75 100 2.0-4.6 4.8=58, 1.8/4876=27...(68) HE3 LYS 65 + HB2 LYS 65 OK 65 100 65 100 2.0-5.0 4.8=58, 3.7/4807=35...(68) * HE3 LYS 65 + HB3 LYS 65 OK 60 100 60 100 2.4-4.6 4.8=58, 1.8/4876=22...(68) HE3 LYS 115 - HB3 LYS 115 poor 19 93 20 - 2.3-5.0 HE2 LYS 115 - HB3 LYS 115 poor 19 93 20 - 3.1-5.0 HE3 LYS 115 - HB2 LYS 115 poor 18 89 20 - 2.0-5.1 HE2 LYS 115 - HB2 LYS 115 poor 18 89 20 - 2.3-5.0 HE3 LYS 44 - HB3 LYS 40 far 2 45 5 - 3.9-9.7 HE2 LYS 44 - HB3 LYS 40 far 0 45 0 - 4.9-8.3 HE3 LYS 96 - HB3 LYS 65 far 0 81 0 - 5.5-12.4 HE2 LYS 96 - HB3 LYS 65 far 0 81 0 - 5.6-12.0 HE3 LYS 96 - HB2 LYS 65 far 0 80 0 - 7.0-13.8 HE2 LYS 96 - HB2 LYS 65 far 0 80 0 - 7.0-13.0 HD3 ARG 30 - HB3 LYS 40 far 0 37 0 - 7.5-11.3 HB2 ASP 34 - HB3 LYS 39 far 0 35 0 - 8.3-10.1 HB2 ASP 34 - HB3 LYS 40 far 0 59 0 - 8.4-10.5 HE3 LYS 44 - HB3 LYS 39 far 0 26 0 - 9.2-13.8 HE3 LYS 17 - HB2 LYS 115 far 0 64 0 - 9.3-11.2 HE2 LYS 44 - HB3 LYS 39 far 0 26 0 - 9.4-12.9 HE3 LYS 17 - HB3 LYS 115 far 0 69 0 - 9.6-11.6 HE3 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.7-13.9 HE2 LYS 44 - HB2 LYS 39 far 0 56 0 - 9.9-12.7 HB2 ASP 34 - HB2 LYS 39 far 0 73 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4823 from cnoeabs.peaks (8.04, 1.55, 24.91 ppm; 4.68 A increased from 4.16 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 65 + HG2 LYS 65 OK 100 100 100 100 1.9-4.6 1426=100, 1427/1.8=88...(17) H ARG 118 - HG2 LYS 115 far 0 57 0 - 5.3-6.5 H ASP 109 - HG2 LYS 115 far 0 73 0 - 7.4-9.5 H SER 72 - HG2 LYS 65 far 0 77 0 - 9.0-11.9 H GLN 122 - HG2 LYS 115 far 0 46 0 - 9.7-12.2 Violated in 0 structures by 0.00 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 2.8-3.4 4797=100, 4798/1.8=70...(37) HA LYS 115 + HG2 LYS 115 OK 66 69 95 100 3.5-4.0 3.9=79, 6705/2.9=48...(33) HA ALA 113 - HG2 LYS 115 far 0 69 0 - 5.1-6.9 HA LEU 68 - HG2 LYS 65 far 0 77 0 - 7.2-8.8 HB2 SER 58 - HG2 LYS 65 far 0 81 0 - 8.1-11.1 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 6 assignments used, quality = 1.00: * HB2 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.3-2.7 2.9=100 HB3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 115 + HG2 LYS 115 OK 73 73 100 100 2.2-3.0 3.0=100 HB2 LYS 115 + HG2 LYS 115 OK 69 69 100 100 2.3-3.0 3.0=100 HB2 LEU 70 - HG2 LYS 65 far 0 96 0 - 8.9-11.0 HB3 LYS 17 - HG2 LYS 115 far 0 57 0 - 9.7-13.2 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 6 assignments used, quality = 1.00: * HB3 LYS 65 + HG2 LYS 65 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 65 + HG2 LYS 65 OK 100 100 100 100 2.3-2.7 2.9=100 HB3 LYS 115 + HG2 LYS 115 OK 73 73 100 100 2.2-3.0 3.0=100 HB2 LYS 115 + HG2 LYS 115 OK 70 70 100 100 2.3-3.0 3.0=100 HB2 LEU 70 - HG2 LYS 65 far 0 94 0 - 8.9-11.0 HB3 LYS 17 - HG2 LYS 115 far 0 60 0 - 9.7-13.2 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 HB3 LEU 81 - HG2 LYS 115 far 0 57 0 - 9.2-11.0 HG LEU 81 - HG2 LYS 115 far 0 73 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 4829 from cnoeabs.peaks (1.65, 1.55, 24.91 ppm; 2.61 A increased from 2.45 A): 3 out of 6 assignments used, quality = 0.97: * HD2 LYS 65 + HG2 LYS 65 OK 69 100 70 98 2.3-3.0 3.0=68, 4848/1.8=36...(55) HD2 LYS 115 + HG2 LYS 115 OK 69 73 100 94 2.3-2.6 2.9=72, 4.9/6703=11...(43) HD3 LYS 65 + HG2 LYS 65 OK 68 100 70 98 2.4-3.0 3.0=68, 4839/1.8=23...(55) HD3 LYS 115 - HG2 LYS 115 far 7 70 10 - 2.5-3.0 HG LEU 64 - HG2 LYS 65 far 0 87 0 - 4.5-6.9 HG LEU 114 - HG2 LYS 115 far 0 72 0 - 4.6-8.3 Violated in 0 structures by 0.00 A. Peak 4830 from cnoeabs.peaks (1.65, 1.55, 24.91 ppm; 2.61 A increased from 2.45 A): 3 out of 6 assignments used, quality = 0.97: * HD3 LYS 65 + HG2 LYS 65 OK 69 100 70 98 2.4-3.0 3.0=68, 4840/1.8=23...(55) HD2 LYS 65 + HG2 LYS 65 OK 69 100 70 98 2.3-3.0 3.0=68, 4848/1.8=36...(55) HD2 LYS 115 + HG2 LYS 115 OK 66 70 100 94 2.3-2.6 2.9=72, 4.9/6703=11...(43) HD3 LYS 115 - HG2 LYS 115 far 7 66 10 - 2.5-3.0 HG LEU 64 - HG2 LYS 65 far 0 94 0 - 4.5-6.9 HG LEU 114 - HG2 LYS 115 far 0 73 0 - 4.6-8.3 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 = 0.99: HE3 LYS 65 + HG2 LYS 65 OK 80 100 80 100 2.2-4.2 3.7=94, 3.0/4857=26...(52) * HE2 LYS 65 + HG2 LYS 65 OK 70 100 70 100 2.2-4.2 3.7=94, 3.0/4857=26...(52) HE2 LYS 115 + HG2 LYS 115 OK 64 68 95 100 2.2-3.8 3.7=95, 6784/1.8=39...(41) HE3 LYS 115 + HG2 LYS 115 OK 57 68 85 100 2.2-3.8 3.7=95, 6784/1.8=32...(39) HE2 LYS 96 - HG2 LYS 65 far 0 81 0 - 5.2-11.9 HE3 LYS 96 - HG2 LYS 65 far 0 81 0 - 6.4-12.6 HE3 LYS 17 - HG2 LYS 115 far 0 46 0 - 8.5-12.6 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 = 0.99: * HE3 LYS 65 + HG2 LYS 65 OK 80 100 80 100 2.2-4.2 3.7=94, 3.0/4857=26...(52) HE2 LYS 65 + HG2 LYS 65 OK 70 100 70 100 2.2-4.2 3.7=94, 3.0/4857=26...(52) HE2 LYS 115 + HG2 LYS 115 OK 64 68 95 100 2.2-3.8 3.7=95, 6784/1.8=39...(41) HE3 LYS 115 + HG2 LYS 115 OK 57 68 85 100 2.2-3.8 3.7=95, 6784/1.8=32...(39) HE2 LYS 96 - HG2 LYS 65 far 0 81 0 - 5.2-11.9 HE3 LYS 96 - HG2 LYS 65 far 0 81 0 - 6.4-12.6 HE3 LYS 17 - HG2 LYS 115 far 0 46 0 - 8.5-12.6 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 2.7-4.1 1427=100, 1426/1.8=97...(16) H SER 72 - HG3 LYS 65 far 0 77 0 - 9.2-11.4 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 2.2-3.0 3.9=100 HA LEU 68 - HG3 LYS 65 far 0 77 0 - 6.9-8.5 HB2 SER 58 - HG3 LYS 65 far 0 81 0 - 9.0-10.5 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 3.0-3.0 2.9=100 HB3 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.3-2.7 2.9=100 HB2 LEU 70 - HG3 LYS 65 far 0 96 0 - 9.5-11.0 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 2.3-2.7 2.9=100 HB2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LEU 70 - HG3 LYS 65 far 0 94 0 - 9.5-11.0 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 1 assignment used, quality = 1.00: * HG2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 1.8-1.8 1.8=100 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, 4857/1.8=27...(76) HD3 LYS 65 + HG3 LYS 65 OK 75 100 75 100 2.4-3.0 3.0=95, 1.8/4848=45...(76) HG LEU 64 - HG3 LYS 65 far 0 87 0 - 4.7-5.7 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: HD2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=95, 4857/1.8=27...(76) * HD3 LYS 65 + HG3 LYS 65 OK 75 100 75 100 2.4-3.0 3.0=95, 1.8/4848=45...(76) HG LEU 64 - HG3 LYS 65 far 0 94 0 - 4.7-5.7 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 2.2-3.8 3.7=100 * HE2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.2-4.2 3.7=100 HE2 LYS 96 - HG3 LYS 65 far 0 81 0 - 4.9-10.9 HE3 LYS 96 - HG3 LYS 65 far 0 81 0 - 5.5-11.1 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 2.2-3.8 3.7=100 HE2 LYS 65 + HG3 LYS 65 OK 100 100 100 100 2.2-4.2 3.7=100 HE2 LYS 96 - HG3 LYS 65 far 0 81 0 - 4.9-10.9 HE3 LYS 96 - HG3 LYS 65 far 0 81 0 - 5.5-11.1 Violated in 0 structures by 0.00 A. Peak 4843 from cnoeabs.peaks (8.04, 1.65, 29.50 ppm; 4.60 A increased from 4.33 A): 2 out of 7 assignments used, quality = 1.00: H LYS 65 + HD3 LYS 65 OK 99 99 100 100 3.2-4.4 1426/3.0=81, 1427/3.0=71...(17) * H LYS 65 + HD2 LYS 65 OK 55 100 55 100 3.7-5.6 1426/3.0=81, 1427/3.0=71...(19) H ARG 118 - HD3 LYS 115 far 0 80 0 - 5.1-7.3 H ARG 118 - HD2 LYS 115 far 0 85 0 - 6.8-8.0 H ASP 109 - HD2 LYS 115 far 0 99 0 - 8.2-9.5 H ASP 109 - HD3 LYS 115 far 0 96 0 - 9.7-11.0 H VAL 22 - HD3 LYS 115 far 0 96 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 4844 from cnoeabs.peaks (3.79, 1.65, 29.50 ppm; 4.11 A increased from 3.86 A): 2 out of 10 assignments used, quality = 0.88: HA LYS 115 + HD3 LYS 115 OK 83 93 90 100 2.2-4.4 6705=97, 6703/2.9=66...(45) HA LYS 65 + HD3 LYS 65 OK 30 99 30 100 4.1-4.9 4797/3.0=72, 4798/3.0=67...(57) ! HA LYS 65 - HD2 LYS 65 poor 20 100 20 100 3.9-5.0 4797/3.0=72, 4798/3.0=67...(59) HA LYS 115 - HD2 LYS 115 far 5 96 5 - 3.9-5.3 HA ALA 113 - HD2 LYS 115 far 0 96 0 - 6.4-8.1 HA ALA 113 - HD3 LYS 115 far 0 93 0 - 6.8-9.1 HA LEU 68 - HD2 LYS 65 far 0 77 0 - 9.0-10.5 HB2 SER 58 - HD3 LYS 65 far 0 79 0 - 9.2-10.9 HA LEU 68 - HD3 LYS 65 far 0 75 0 - 9.3-10.4 HB2 SER 58 - HD2 LYS 65 far 0 81 0 - 9.6-11.9 Violated in 1 structures by 0.00 A. Peak 4845 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 84 99 85 100 2.1-3.8 3.4=67, 4807/3.0=26...(75) HB2 LYS 115 + HD2 LYS 115 OK 76 96 80 99 2.6-4.2 3.7=52, 3.0/6736=28...(46) HB3 LYS 115 + HD2 LYS 115 OK 73 99 75 98 2.6-3.8 3.7=52, 3.0/6736=28...(47) HB3 LYS 115 + HD3 LYS 115 OK 62 96 65 99 2.1-4.0 3.7=52, 3.0/6705=31...(49) HB3 LYS 65 + HD3 LYS 65 OK 50 99 50 100 2.2-3.7 3.4=67, 2.9/4839=21...(76) HB2 LYS 115 + HD3 LYS 115 OK 32 93 35 99 2.4-3.6 3.7=52, 3.0/6705=31...(48) HB3 LYS 65 + HD2 LYS 65 OK 30 100 30 100 2.4-4.0 3.4=67, 2.9/4848=33...(79) ! HB2 LYS 65 - HD2 LYS 65 far 15 100 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 85 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 80 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 4846 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 84 99 85 100 2.1-3.8 3.4=67, 4807/3.0=26...(75) HB2 LYS 115 + HD2 LYS 115 OK 77 97 80 99 2.6-4.2 3.7=52, 3.0/6736=28...(46) HB3 LYS 115 + HD2 LYS 115 OK 73 99 75 98 2.6-3.8 3.7=52, 3.0/6736=28...(47) HB3 LYS 115 + HD3 LYS 115 OK 62 96 65 99 2.1-4.0 3.7=52, 3.0/6705=31...(49) HB3 LYS 65 + HD3 LYS 65 OK 50 99 50 100 2.2-3.7 3.4=67, 2.9/4839=21...(76) HB2 LYS 115 + HD3 LYS 115 OK 32 94 35 99 2.4-3.6 3.7=52, 3.0/6705=31...(48) * HB3 LYS 65 + HD2 LYS 65 OK 30 100 30 100 2.4-4.0 3.4=67, 2.9/4848=33...(79) HB2 LYS 65 - HD2 LYS 65 far 15 100 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 87 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 83 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 4847 from cnoeabs.peaks (1.55, 1.65, 29.50 ppm; 2.55 A increased from 2.40 A): 3 out of 4 assignments used, quality = 0.97: HG2 LYS 115 + HD2 LYS 115 OK 79 85 100 93 2.3-2.6 2.9=67, 10462/11463=12...(43) * HG2 LYS 65 + HD2 LYS 65 OK 68 100 70 98 2.3-3.0 3.0=64, 1.8/4848=35...(53) HG2 LYS 65 + HD3 LYS 65 OK 53 99 55 97 2.4-3.0 3.0=64, 1.8/4839=22...(52) HG2 LYS 115 - HD3 LYS 115 far 8 80 10 - 2.5-3.0 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 3 assignments used, quality = 0.92: * HG3 LYS 65 + HD2 LYS 65 OK 85 100 85 100 2.3-3.0 3.0=90, 4840/1.8=28...(76) HG3 LYS 65 + HD3 LYS 65 OK 45 99 45 100 2.4-3.0 3.0=90, 4839/1.8=37...(76) HG LEU 81 - HD2 LYS 115 far 0 99 0 - 9.9-12.6 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 + HD3 LYS 65 OK 76 99 80 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE3 LYS 65 + HD2 LYS 65 OK 67 100 70 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE3 LYS 115 + HD2 LYS 115 OK 62 95 70 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE2 LYS 115 + HD2 LYS 115 OK 57 95 65 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE3 LYS 115 + HD3 LYS 115 OK 55 91 65 93 2.3-3.0 3.0=75, 6774/2.9=13...(24) HE2 LYS 115 + HD3 LYS 115 OK 46 91 55 93 2.3-3.0 3.0=75, 6774/2.9=16...(24) HE3 LYS 65 + HD3 LYS 65 OK 43 99 45 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) * HE2 LYS 65 + HD2 LYS 65 OK 39 100 40 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE2 LYS 96 - HD2 LYS 65 far 0 81 0 - 3.2-11.2 HE3 LYS 96 - HD2 LYS 65 far 0 81 0 - 4.7-12.1 HE2 LYS 96 - HD3 LYS 65 far 0 79 0 - 4.9-12.2 HE3 LYS 96 - HD3 LYS 65 far 0 79 0 - 5.9-13.3 HE3 LYS 17 - HD2 LYS 115 far 0 71 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 67 0 - 8.7-12.7 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 + HD3 LYS 65 OK 76 99 80 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) * HE3 LYS 65 + HD2 LYS 65 OK 67 100 70 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE3 LYS 115 + HD2 LYS 115 OK 62 95 70 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE2 LYS 115 + HD2 LYS 115 OK 57 95 65 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE3 LYS 115 + HD3 LYS 115 OK 55 91 65 93 2.3-3.0 3.0=75, 6774/2.9=13...(24) HE2 LYS 115 + HD3 LYS 115 OK 46 91 55 93 2.3-3.0 3.0=75, 6774/2.9=16...(24) HE3 LYS 65 + HD3 LYS 65 OK 43 99 45 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE2 LYS 65 + HD2 LYS 65 OK 39 100 40 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE2 LYS 96 - HD2 LYS 65 far 0 81 0 - 3.2-11.2 HE3 LYS 96 - HD2 LYS 65 far 0 81 0 - 4.7-12.1 HE2 LYS 96 - HD3 LYS 65 far 0 79 0 - 4.9-12.2 HE3 LYS 96 - HD3 LYS 65 far 0 79 0 - 5.9-13.3 HE3 LYS 17 - HD2 LYS 115 far 0 71 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 67 0 - 8.7-12.7 Violated in 0 structures by 0.00 A. Peak 4854 from cnoeabs.peaks (3.79, 1.65, 29.50 ppm; 4.11 A increased from 3.86 A): 2 out of 10 assignments used, quality = 0.83: HA LYS 115 + HD3 LYS 115 OK 76 85 90 100 2.2-4.4 6705=96, 6703/2.9=66...(45) * HA LYS 65 + HD3 LYS 65 OK 30 100 30 100 4.1-4.9 4797/3.0=72, 4798/3.0=67...(57) HA LYS 65 - HD2 LYS 65 poor 20 99 20 - 3.9-5.0 HA LYS 115 - HD2 LYS 115 far 5 93 5 - 3.9-5.3 HA ALA 113 - HD2 LYS 115 far 0 93 0 - 6.4-8.1 HA ALA 113 - HD3 LYS 115 far 0 85 0 - 6.8-9.1 HA LEU 68 - HD2 LYS 65 far 0 75 0 - 9.0-10.5 HB2 SER 58 - HD3 LYS 65 far 0 81 0 - 9.2-10.9 HA LEU 68 - HD3 LYS 65 far 0 77 0 - 9.3-10.4 HB2 SER 58 - HD2 LYS 65 far 0 79 0 - 9.6-11.9 Violated in 1 structures by 0.00 A. Peak 4855 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: * HB2 LYS 65 + HD3 LYS 65 OK 85 100 85 100 2.1-3.8 3.4=67, 4807/3.0=26...(75) HB2 LYS 115 + HD2 LYS 115 OK 73 93 80 99 2.6-4.2 3.7=52, 3.0/6735=28...(46) HB3 LYS 115 + HD2 LYS 115 OK 71 96 75 98 2.6-3.8 3.7=52, 3.0/6735=28...(47) HB3 LYS 115 + HD3 LYS 115 OK 57 89 65 99 2.1-4.0 3.7=52, 3.0/6705=31...(49) HB3 LYS 65 + HD3 LYS 65 OK 50 100 50 100 2.2-3.7 3.4=67, 2.9/4840=21...(76) HB3 LYS 65 + HD2 LYS 65 OK 30 99 30 100 2.4-4.0 3.4=67, 2.9/4858=33...(79) HB2 LYS 115 + HD3 LYS 115 OK 29 85 35 99 2.4-3.6 3.7=52, 3.0/6705=31...(48) HB2 LYS 65 - HD2 LYS 65 far 15 99 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 80 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 72 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 4856 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 85 100 85 100 2.1-3.8 3.4=67, 4807/3.0=26...(75) HB2 LYS 115 + HD2 LYS 115 OK 74 94 80 99 2.6-4.2 3.7=52, 3.0/6735=28...(46) HB3 LYS 115 + HD2 LYS 115 OK 71 96 75 98 2.6-3.8 3.7=52, 3.0/6735=28...(47) HB3 LYS 115 + HD3 LYS 115 OK 57 89 65 99 2.1-4.0 3.7=52, 3.0/6705=31...(49) * HB3 LYS 65 + HD3 LYS 65 OK 50 100 50 100 2.2-3.7 3.4=67, 2.9/4840=21...(76) HB3 LYS 65 + HD2 LYS 65 OK 30 99 30 100 2.4-4.0 3.4=67, 2.9/4858=33...(79) HB2 LYS 115 + HD3 LYS 115 OK 30 86 35 99 2.4-3.6 3.7=52, 3.0/6705=31...(48) HB2 LYS 65 - HD2 LYS 65 far 15 99 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 83 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 74 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 4857 from cnoeabs.peaks (1.55, 1.65, 29.50 ppm; 2.55 A increased from 2.40 A): 3 out of 4 assignments used, quality = 0.96: HG2 LYS 115 + HD2 LYS 115 OK 74 80 100 93 2.3-2.6 2.9=67, 10462/11463=13...(43) HG2 LYS 65 + HD2 LYS 65 OK 68 99 70 98 2.3-3.0 3.0=64, 1.8/4858=35...(53) * HG2 LYS 65 + HD3 LYS 65 OK 53 100 55 97 2.4-3.0 3.0=64, 1.8/4840=22...(52) HG2 LYS 115 - HD3 LYS 115 far 7 72 10 - 2.5-3.0 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 3 assignments used, quality = 0.91: HG3 LYS 65 + HD2 LYS 65 OK 84 99 85 100 2.3-3.0 3.0=90, 4840/1.8=28...(76) * HG3 LYS 65 + HD3 LYS 65 OK 45 100 45 100 2.4-3.0 3.0=90, 4839/1.8=37...(76) HG LEU 81 - HD2 LYS 115 far 0 96 0 - 9.9-12.6 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 77 100 80 96 2.3-3.0 3.0=74, 3.7/4840=12...(58) HE3 LYS 65 + HD2 LYS 65 OK 67 99 70 96 2.3-3.0 3.0=74, 3.7/4858=19...(58) HE3 LYS 115 + HD2 LYS 115 OK 59 91 70 93 2.3-3.0 3.0=75, 3.7/6735=16...(24) HE2 LYS 115 + HD2 LYS 115 OK 55 91 65 93 2.3-3.0 3.0=75, 3.7/6735=16...(24) HE3 LYS 115 + HD3 LYS 115 OK 50 83 65 93 2.3-3.0 3.0=75, 6774/2.9=13...(24) HE3 LYS 65 + HD3 LYS 65 OK 43 100 45 96 2.3-3.0 3.0=74, 3.7/4840=12...(58) HE2 LYS 115 + HD3 LYS 115 OK 42 83 55 92 2.3-3.0 3.0=75, 6774/2.9=16...(24) HE2 LYS 65 + HD2 LYS 65 OK 38 99 40 96 2.3-3.0 3.0=74, 3.7/4858=19...(58) HE2 LYS 96 - HD2 LYS 65 far 0 79 0 - 3.2-11.2 HE3 LYS 96 - HD2 LYS 65 far 0 79 0 - 4.7-12.1 HE2 LYS 96 - HD3 LYS 65 far 0 81 0 - 4.9-12.2 HE3 LYS 96 - HD3 LYS 65 far 0 81 0 - 5.9-13.3 HE3 LYS 17 - HD2 LYS 115 far 0 67 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 59 0 - 8.7-12.7 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 77 100 80 96 2.3-3.0 3.0=74, 3.7/4840=12...(58) HE3 LYS 65 + HD2 LYS 65 OK 67 99 70 96 2.3-3.0 3.0=74, 3.7/4858=19...(58) HE3 LYS 115 + HD2 LYS 115 OK 59 91 70 93 2.3-3.0 3.0=75, 3.7/6735=16...(24) HE2 LYS 115 + HD2 LYS 115 OK 55 91 65 93 2.3-3.0 3.0=75, 3.7/6735=16...(24) HE3 LYS 115 + HD3 LYS 115 OK 50 83 65 93 2.3-3.0 3.0=75, 6774/2.9=13...(24) * HE3 LYS 65 + HD3 LYS 65 OK 43 100 45 96 2.3-3.0 3.0=74, 3.7/4840=12...(58) HE2 LYS 115 + HD3 LYS 115 OK 42 83 55 92 2.3-3.0 3.0=75, 6774/2.9=16...(24) HE2 LYS 65 + HD2 LYS 65 OK 38 99 40 96 2.3-3.0 3.0=74, 3.7/4858=19...(58) HE2 LYS 96 - HD2 LYS 65 far 0 79 0 - 3.2-11.2 HE3 LYS 96 - HD2 LYS 65 far 0 79 0 - 4.7-12.1 HE2 LYS 96 - HD3 LYS 65 far 0 81 0 - 4.9-12.2 HE3 LYS 96 - HD3 LYS 65 far 0 81 0 - 5.9-13.3 HE3 LYS 17 - HD2 LYS 115 far 0 67 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 59 0 - 8.7-12.7 Violated in 0 structures by 0.00 A. Peak 4865 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 4 out of 31 assignments used, quality = 0.88: HB3 LYS 65 + HE3 LYS 65 OK 50 100 50 99 2.4-4.6 4.8=34, 4821/1.8=14...(63) * HB2 LYS 65 + HE2 LYS 65 OK 44 100 45 99 2.4-4.7 4.8=34, 4807/3.7=25...(64) HB3 LYS 65 + HE2 LYS 65 OK 40 100 40 99 2.0-4.6 4.8=34, 1.8/4811=15...(63) HB2 LYS 65 + HE3 LYS 65 OK 30 100 30 99 2.0-5.0 4.8=34, 4807/3.7=25...(64) HB2 LYS 115 - HE3 LYS 115 far 13 89 15 - 2.0-5.1 HB3 LYS 115 - HE3 LYS 115 far 9 93 10 - 2.3-5.0 HB2 LYS 115 - HE2 LYS 115 far 9 89 10 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 93 5 - 3.1-5.0 HB3 LYS 40 - HE3 LYS 44 far 0 50 0 - 3.9-9.7 HB VAL 104 - HE3 LYS 94 far 0 87 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 79 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 79 0 - 4.9-7.9 HB3 LYS 40 - HE2 LYS 44 far 0 50 0 - 4.9-8.3 HB ILE 15 - HE3 LYS 16 far 0 55 0 - 5.0-7.5 HB3 GLU 41 - HE2 LYS 44 far 0 41 0 - 5.3-8.3 HB ILE 15 - HE2 LYS 16 far 0 55 0 - 5.4-8.3 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.5-12.4 HB3 GLU 52 - HE3 LYS 44 far 0 34 0 - 5.5-14.1 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.6-12.0 HB2 GLU 41 - HE2 LYS 44 far 0 39 0 - 6.1-8.7 HB3 GLU 41 - HE3 LYS 44 far 0 41 0 - 6.3-8.7 HB2 GLU 41 - HE3 LYS 44 far 0 39 0 - 6.4-9.5 HB3 GLU 52 - HE2 LYS 44 far 0 34 0 - 6.8-13.8 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.0-13.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.0-13.0 HB3 MET 42 - HE3 LYS 44 far 0 39 0 - 8.4-11.2 HB3 MET 42 - HE2 LYS 44 far 0 39 0 - 9.0-10.4 HB3 LYS 39 - HE3 LYS 44 far 0 44 0 - 9.2-13.8 HB3 LYS 39 - HE2 LYS 44 far 0 44 0 - 9.4-12.9 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 9.7-13.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 9.9-12.7 Violated in 6 structures by 0.02 A. Peak 4866 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 4 out of 31 assignments used, quality = 0.88: HB3 LYS 65 + HE3 LYS 65 OK 50 100 50 99 2.4-4.6 4.8=34, 4821/1.8=14...(63) HB2 LYS 65 + HE2 LYS 65 OK 44 100 45 99 2.4-4.7 4.8=34, 4807/3.7=25...(64) * HB3 LYS 65 + HE2 LYS 65 OK 40 100 40 99 2.0-4.6 4.8=34, 1.8/4811=15...(63) HB2 LYS 65 + HE3 LYS 65 OK 30 100 30 99 2.0-5.0 4.8=34, 4807/3.7=25...(64) HB2 LYS 115 - HE3 LYS 115 far 14 91 15 - 2.0-5.1 HB3 LYS 115 - HE3 LYS 115 far 9 93 10 - 2.3-5.0 HB2 LYS 115 - HE2 LYS 115 far 9 91 10 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 93 5 - 3.1-5.0 HB3 LYS 40 - HE3 LYS 44 far 0 48 0 - 3.9-9.7 HB VAL 104 - HE3 LYS 94 far 0 84 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 82 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 82 0 - 4.9-7.9 HB3 LYS 40 - HE2 LYS 44 far 0 48 0 - 4.9-8.3 HB ILE 15 - HE3 LYS 16 far 0 58 0 - 5.0-7.5 HB3 GLU 41 - HE2 LYS 44 far 0 39 0 - 5.3-8.3 HB ILE 15 - HE2 LYS 16 far 0 58 0 - 5.4-8.3 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.5-12.4 HB3 GLU 52 - HE3 LYS 44 far 0 31 0 - 5.5-14.1 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.6-12.0 HB2 GLU 41 - HE2 LYS 44 far 0 36 0 - 6.1-8.7 HB3 GLU 41 - HE3 LYS 44 far 0 39 0 - 6.3-8.7 HB2 GLU 41 - HE3 LYS 44 far 0 36 0 - 6.4-9.5 HB3 GLU 52 - HE2 LYS 44 far 0 31 0 - 6.8-13.8 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.0-13.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.0-13.0 HB3 MET 42 - HE3 LYS 44 far 0 36 0 - 8.4-11.2 HB3 MET 42 - HE2 LYS 44 far 0 36 0 - 9.0-10.4 HB3 LYS 39 - HE3 LYS 44 far 0 41 0 - 9.2-13.8 HB3 LYS 39 - HE2 LYS 44 far 0 41 0 - 9.4-12.9 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 9.7-13.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 9.9-12.7 Violated in 6 structures by 0.02 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: HD3 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.4-3.0 3.0=100 * HG2 LYS 65 + HE2 LYS 65 OK 49 100 50 99 2.2-4.2 3.7=58, 4857/3.0=20...(52) HG2 LYS 65 + HE3 LYS 65 OK 44 100 45 99 2.2-4.2 3.7=58, 4857/3.0=20...(52) HG2 LYS 115 + HE2 LYS 115 OK 40 76 55 95 2.2-3.8 3.7=59, 1.8/6784=25...(37) HG2 LYS 115 + HE3 LYS 115 OK 29 76 40 96 2.2-3.8 3.7=59, 6736/3.0=25...(37) HD3 LYS 106 - HE3 LYS 94 lone 0 84 50 0 2.2-4.7 HD2 LYS 106 - HE3 LYS 94 lone 0 87 30 0 2.1-5.7 HG2 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.2-11.9 HG2 LYS 65 - HE3 LYS 96 far 0 63 0 - 6.4-12.6 QB ALA 46 - HE2 LYS 44 far 0 63 0 - 6.9-9.6 QB ALA 46 - HE3 LYS 44 far 0 63 0 - 7.2-9.6 HD2 LYS 94 - HE3 LYS 96 far 0 48 0 - 7.2-14.0 HD3 LYS 94 - HE3 LYS 96 far 0 48 0 - 7.3-13.8 HD3 LYS 94 - HE2 LYS 96 far 0 48 0 - 7.9-13.8 HD2 LYS 94 - HE2 LYS 96 far 0 48 0 - 8.2-14.0 Violated in 0 structures by 0.00 A. Peak 4868 from cnoeabs.peaks (1.34, 2.92, 41.78 ppm; 3.71 A increased from 3.49 A): 2 out of 4 assignments used, quality = 1.00: HG3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.2-3.8 3.7=100 * HG3 LYS 65 + HE2 LYS 65 OK 90 100 90 100 2.2-4.2 3.7=100 HG3 LYS 65 - HE2 LYS 96 far 0 63 0 - 4.9-10.9 HG3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.5-11.1 Violated in 0 structures by 0.00 A. Peak 4869 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 3.08 A increased from 2.46 A): 8 out of 27 assignments used, quality = 1.00: HD2 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE3 LYS 115 OK 93 93 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE3 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 49 - HE3 LYS 44 far 3 63 5 - 2.5-16.2 HD2 LYS 65 - HE2 LYS 96 far 0 63 0 - 3.2-11.2 HD2 LYS 49 - HE3 LYS 44 far 0 63 0 - 3.3-16.5 HG LEU 90 - HE3 LYS 94 far 0 77 0 - 3.9-5.1 HD3 LYS 49 - HE2 LYS 44 far 0 63 0 - 4.1-16.4 HD2 LYS 49 - HE2 LYS 44 far 0 63 0 - 4.4-16.5 HD2 LYS 65 - HE3 LYS 96 far 0 63 0 - 4.7-12.1 HD3 LYS 65 - HE2 LYS 96 far 0 62 0 - 4.9-12.2 HG LEU 114 - HE3 LYS 115 far 0 92 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 92 0 - 5.7-10.6 HD3 LYS 65 - HE3 LYS 96 far 0 62 0 - 5.9-13.3 HB2 GLU 52 - HE3 LYS 44 far 0 62 0 - 6.4-15.1 HB2 ARG 30 - HE2 LYS 44 far 0 63 0 - 6.5-12.0 HG LEU 64 - HE3 LYS 65 far 0 87 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 87 0 - 7.3-9.0 HB2 GLU 52 - HE2 LYS 44 far 0 62 0 - 8.0-14.0 HB2 ARG 30 - HE3 LYS 44 far 0 63 0 - 8.0-11.6 HG LEU 114 - HE3 LYS 16 far 0 95 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 95 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 4870 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 3.08 A increased from 2.46 A): 8 out of 27 assignments used, quality = 1.00: * HD3 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE3 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE3 LYS 115 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 49 - HE3 LYS 44 far 3 62 5 - 2.5-16.2 HD2 LYS 65 - HE2 LYS 96 far 0 62 0 - 3.2-11.2 HD2 LYS 49 - HE3 LYS 44 far 0 62 0 - 3.3-16.5 HG LEU 90 - HE3 LYS 94 far 0 87 0 - 3.9-5.1 HD3 LYS 49 - HE2 LYS 44 far 0 62 0 - 4.1-16.4 HD2 LYS 49 - HE2 LYS 44 far 0 62 0 - 4.4-16.5 HD2 LYS 65 - HE3 LYS 96 far 0 62 0 - 4.7-12.1 HD3 LYS 65 - HE2 LYS 96 far 0 63 0 - 4.9-12.2 HG LEU 114 - HE3 LYS 115 far 0 93 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 93 0 - 5.7-10.6 HD3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.9-13.3 HB2 GLU 52 - HE3 LYS 44 far 0 60 0 - 6.4-15.1 HB2 ARG 30 - HE2 LYS 44 far 0 62 0 - 6.5-12.0 HG LEU 64 - HE3 LYS 65 far 0 94 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 94 0 - 7.3-9.0 HB2 GLU 52 - HE2 LYS 44 far 0 60 0 - 8.0-14.0 HB2 ARG 30 - HE3 LYS 44 far 0 62 0 - 8.0-11.6 HG LEU 114 - HE3 LYS 16 far 0 96 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 96 0 - 9.2-13.1 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): 4 out of 31 assignments used, quality = 0.88: HB3 LYS 65 + HE3 LYS 65 OK 50 100 50 99 2.4-4.6 4.8=34, 4821/1.8=14...(63) HB2 LYS 65 + HE2 LYS 65 OK 44 100 45 99 2.4-4.7 4.8=34, 4807/3.7=25...(64) HB3 LYS 65 + HE2 LYS 65 OK 40 100 40 99 2.0-4.6 4.8=34, 1.8/4811=15...(63) * HB2 LYS 65 + HE3 LYS 65 OK 30 100 30 99 2.0-5.0 4.8=34, 4807/3.7=25...(64) HB2 LYS 115 - HE3 LYS 115 far 13 89 15 - 2.0-5.1 HB3 LYS 115 - HE3 LYS 115 far 9 93 10 - 2.3-5.0 HB2 LYS 115 - HE2 LYS 115 far 9 89 10 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 93 5 - 3.1-5.0 HB3 LYS 40 - HE3 LYS 44 far 0 50 0 - 3.9-9.7 HB VAL 104 - HE3 LYS 94 far 0 87 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 79 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 79 0 - 4.9-7.9 HB3 LYS 40 - HE2 LYS 44 far 0 50 0 - 4.9-8.3 HB ILE 15 - HE3 LYS 16 far 0 55 0 - 5.0-7.5 HB3 GLU 41 - HE2 LYS 44 far 0 41 0 - 5.3-8.3 HB ILE 15 - HE2 LYS 16 far 0 55 0 - 5.4-8.3 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.5-12.4 HB3 GLU 52 - HE3 LYS 44 far 0 34 0 - 5.5-14.1 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.6-12.0 HB2 GLU 41 - HE2 LYS 44 far 0 39 0 - 6.1-8.7 HB3 GLU 41 - HE3 LYS 44 far 0 41 0 - 6.3-8.7 HB2 GLU 41 - HE3 LYS 44 far 0 39 0 - 6.4-9.5 HB3 GLU 52 - HE2 LYS 44 far 0 34 0 - 6.8-13.8 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.0-13.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.0-13.0 HB3 MET 42 - HE3 LYS 44 far 0 39 0 - 8.4-11.2 HB3 MET 42 - HE2 LYS 44 far 0 39 0 - 9.0-10.4 HB3 LYS 39 - HE3 LYS 44 far 0 44 0 - 9.2-13.8 HB3 LYS 39 - HE2 LYS 44 far 0 44 0 - 9.4-12.9 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 9.7-13.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 9.9-12.7 Violated in 6 structures by 0.02 A. Peak 4876 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 4 out of 31 assignments used, quality = 0.88: * HB3 LYS 65 + HE3 LYS 65 OK 50 100 50 99 2.4-4.6 4.8=34, 4821/1.8=14...(63) HB2 LYS 65 + HE2 LYS 65 OK 44 100 45 99 2.4-4.7 4.8=34, 4807/3.7=25...(64) HB3 LYS 65 + HE2 LYS 65 OK 40 100 40 99 2.0-4.6 4.8=34, 1.8/4811=15...(63) HB2 LYS 65 + HE3 LYS 65 OK 30 100 30 99 2.0-5.0 4.8=34, 4807/3.7=25...(64) HB2 LYS 115 - HE3 LYS 115 far 14 91 15 - 2.0-5.1 HB3 LYS 115 - HE3 LYS 115 far 9 93 10 - 2.3-5.0 HB2 LYS 115 - HE2 LYS 115 far 9 91 10 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 93 5 - 3.1-5.0 HB3 LYS 40 - HE3 LYS 44 far 0 48 0 - 3.9-9.7 HB VAL 104 - HE3 LYS 94 far 0 84 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 82 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 82 0 - 4.9-7.9 HB3 LYS 40 - HE2 LYS 44 far 0 48 0 - 4.9-8.3 HB ILE 15 - HE3 LYS 16 far 0 58 0 - 5.0-7.5 HB3 GLU 41 - HE2 LYS 44 far 0 39 0 - 5.3-8.3 HB ILE 15 - HE2 LYS 16 far 0 58 0 - 5.4-8.3 HB3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.5-12.4 HB3 GLU 52 - HE3 LYS 44 far 0 31 0 - 5.5-14.1 HB3 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.6-12.0 HB2 GLU 41 - HE2 LYS 44 far 0 36 0 - 6.1-8.7 HB3 GLU 41 - HE3 LYS 44 far 0 39 0 - 6.3-8.7 HB2 GLU 41 - HE3 LYS 44 far 0 36 0 - 6.4-9.5 HB3 GLU 52 - HE2 LYS 44 far 0 31 0 - 6.8-13.8 HB2 LYS 65 - HE3 LYS 96 far 0 63 0 - 7.0-13.8 HB2 LYS 65 - HE2 LYS 96 far 0 63 0 - 7.0-13.0 HB3 MET 42 - HE3 LYS 44 far 0 36 0 - 8.4-11.2 HB3 MET 42 - HE2 LYS 44 far 0 36 0 - 9.0-10.4 HB3 LYS 39 - HE3 LYS 44 far 0 41 0 - 9.2-13.8 HB3 LYS 39 - HE2 LYS 44 far 0 41 0 - 9.4-12.9 HB2 LYS 39 - HE3 LYS 44 far 0 63 0 - 9.7-13.9 HB2 LYS 39 - HE2 LYS 44 far 0 63 0 - 9.9-12.7 Violated in 6 structures by 0.02 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: HD3 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 87 87 100 100 2.4-3.0 3.0=100 HG2 LYS 65 + HE2 LYS 65 OK 49 100 50 99 2.2-4.2 3.7=58, 4857/3.0=20...(52) * HG2 LYS 65 + HE3 LYS 65 OK 44 100 45 99 2.2-4.2 3.7=58, 4857/3.0=20...(52) HG2 LYS 115 + HE2 LYS 115 OK 40 76 55 95 2.2-3.8 3.7=59, 1.8/6784=25...(37) HG2 LYS 115 + HE3 LYS 115 OK 29 76 40 96 2.2-3.8 3.7=59, 6736/3.0=25...(37) HD3 LYS 106 - HE3 LYS 94 lone 0 84 50 0 2.2-4.7 HD2 LYS 106 - HE3 LYS 94 lone 0 87 30 0 2.1-5.7 HG2 LYS 65 - HE2 LYS 96 far 0 63 0 - 5.2-11.9 HG2 LYS 65 - HE3 LYS 96 far 0 63 0 - 6.4-12.6 QB ALA 46 - HE2 LYS 44 far 0 63 0 - 6.9-9.6 QB ALA 46 - HE3 LYS 44 far 0 63 0 - 7.2-9.6 HD2 LYS 94 - HE3 LYS 96 far 0 48 0 - 7.2-14.0 HD3 LYS 94 - HE3 LYS 96 far 0 48 0 - 7.3-13.8 HD3 LYS 94 - HE2 LYS 96 far 0 48 0 - 7.9-13.8 HD2 LYS 94 - HE2 LYS 96 far 0 48 0 - 8.2-14.0 Violated in 0 structures by 0.00 A. Peak 4878 from cnoeabs.peaks (1.34, 2.92, 41.78 ppm; 3.71 A increased from 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 LYS 65 + HE2 LYS 65 OK 90 100 90 100 2.2-4.2 3.7=100 HG3 LYS 65 - HE2 LYS 96 far 0 63 0 - 4.9-10.9 HG3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.5-11.1 Violated in 0 structures by 0.00 A. Peak 4879 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 3.08 A increased from 2.46 A): 8 out of 27 assignments used, quality = 1.00: * HD2 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE3 LYS 115 OK 93 93 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE3 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 49 - HE3 LYS 44 far 3 63 5 - 2.5-16.2 HD2 LYS 65 - HE2 LYS 96 far 0 63 0 - 3.2-11.2 HD2 LYS 49 - HE3 LYS 44 far 0 63 0 - 3.3-16.5 HG LEU 90 - HE3 LYS 94 far 0 77 0 - 3.9-5.1 HD3 LYS 49 - HE2 LYS 44 far 0 63 0 - 4.1-16.4 HD2 LYS 49 - HE2 LYS 44 far 0 63 0 - 4.4-16.5 HD2 LYS 65 - HE3 LYS 96 far 0 63 0 - 4.7-12.1 HD3 LYS 65 - HE2 LYS 96 far 0 62 0 - 4.9-12.2 HG LEU 114 - HE3 LYS 115 far 0 92 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 92 0 - 5.7-10.6 HD3 LYS 65 - HE3 LYS 96 far 0 62 0 - 5.9-13.3 HB2 GLU 52 - HE3 LYS 44 far 0 62 0 - 6.4-15.1 HB2 ARG 30 - HE2 LYS 44 far 0 63 0 - 6.5-12.0 HG LEU 64 - HE3 LYS 65 far 0 87 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 87 0 - 7.3-9.0 HB2 GLU 52 - HE2 LYS 44 far 0 62 0 - 8.0-14.0 HB2 ARG 30 - HE3 LYS 44 far 0 63 0 - 8.0-11.6 HG LEU 114 - HE3 LYS 16 far 0 95 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 95 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 4880 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 3.08 A increased from 2.46 A): 8 out of 27 assignments used, quality = 1.00: HD3 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE3 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE3 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE3 LYS 115 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 49 - HE3 LYS 44 far 3 62 5 - 2.5-16.2 HD2 LYS 65 - HE2 LYS 96 far 0 62 0 - 3.2-11.2 HD2 LYS 49 - HE3 LYS 44 far 0 62 0 - 3.3-16.5 HG LEU 90 - HE3 LYS 94 far 0 87 0 - 3.9-5.1 HD3 LYS 49 - HE2 LYS 44 far 0 62 0 - 4.1-16.4 HD2 LYS 49 - HE2 LYS 44 far 0 62 0 - 4.4-16.5 HD2 LYS 65 - HE3 LYS 96 far 0 62 0 - 4.7-12.1 HD3 LYS 65 - HE2 LYS 96 far 0 63 0 - 4.9-12.2 HG LEU 114 - HE3 LYS 115 far 0 93 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 93 0 - 5.7-10.6 HD3 LYS 65 - HE3 LYS 96 far 0 63 0 - 5.9-13.3 HB2 GLU 52 - HE3 LYS 44 far 0 60 0 - 6.4-15.1 HB2 ARG 30 - HE2 LYS 44 far 0 62 0 - 6.5-12.0 HG LEU 64 - HE3 LYS 65 far 0 94 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 94 0 - 7.3-9.0 HB2 GLU 52 - HE2 LYS 44 far 0 60 0 - 8.0-14.0 HB2 ARG 30 - HE3 LYS 44 far 0 62 0 - 8.0-11.6 HG LEU 114 - HE3 LYS 16 far 0 96 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 96 0 - 9.2-13.1 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): 1 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 far 0 54 0 - 4.2-4.7 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): 1 out of 8 assignments used, quality = 0.98: * HB2 GLU 66 + HA GLU 66 OK 98 100 100 98 2.5-2.7 3.0=81, 4909/4908=33...(16) HB2 GLU 92 - HA GLU 92 far 3 67 5 - 2.6-3.0 HB3 MET 67 - HA GLU 66 far 0 94 0 - 6.0-6.1 HB3 GLU 89 - HA GLU 92 far 0 87 0 - 7.1-8.2 HB2 GLU 89 - HA GLU 92 far 0 87 0 - 7.3-8.3 HB3 GLU 98 - HA GLU 92 far 0 67 0 - 8.2-9.0 HB3 GLU 87 - HA GLU 92 far 0 87 0 - 9.1-9.5 HB3 GLN 100 - HA GLU 66 far 0 96 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4886 from cnoeabs.peaks (2.09, 4.03, 59.12 ppm; 2.74 A): 1 out of 8 assignments used, quality = 0.63: HB3 GLU 92 + HA GLU 92 OK 63 64 100 99 2.3-2.7 3.0=76, 1.8/5854=38...(27) ! HB3 GLU 66 - HA GLU 66 far 0 100 0 - 3.0-3.0 HB3 GLU 69 - HA GLU 66 far 0 99 0 - 4.4-5.0 HB3 MET 121 - HA LYS 123 far 0 65 0 - 7.5-8.0 HG2 GLU 119 - HA LYS 123 far 0 62 0 - 8.6-10.0 HB2 GLU 87 - HA GLU 92 far 0 87 0 - 9.3-9.8 HG2 GLU 21 - HA GLU 13 far 0 77 0 - 9.8-11.2 HB3 PHE 79 - HA LYS 123 far 0 58 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4887 from cnoeabs.peaks (2.39, 4.03, 59.12 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 66 + HA GLU 66 OK 100 100 100 100 2.9-3.4 4902=100, 1.8/4908=71...(16) HG2 GLN 122 + HA LYS 123 OK 47 69 80 86 3.1-6.5 7933/3.0=32, ~7934=23...(9) HG3 MET 67 - HA GLU 66 far 0 99 0 - 7.4-7.9 HG2 GLU 98 - HA GLU 92 far 0 64 0 - 8.9-11.0 HG2 GLN 25 - HA LYS 123 far 0 88 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. Peak 4888 from cnoeabs.peaks (2.19, 4.03, 59.12 ppm; 3.55 A increased from 3.16 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 66 + HA GLU 66 OK 100 100 100 100 3.5-3.6 4908=91, 1.8/4902=72...(12) HB2 GLU 69 + HA GLU 66 OK 69 81 100 86 2.8-3.5 8133=71, 1454/8131=39 HB2 MET 67 - HA GLU 66 far 0 73 0 - 5.6-5.7 HB2 GLU 98 - HA GLU 92 far 0 79 0 - 7.7-8.4 HB2 MET 42 - HA GLU 66 far 0 99 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 4889 from cnoeabs.peaks (7.80, 2.04, 29.26 ppm; 3.73 A increased from 3.51 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 66 + HB2 GLU 66 OK 100 100 100 100 3.5-3.6 3.7=100 H LYS 96 - HB3 GLU 98 far 0 31 0 - 5.2-5.4 H LYS 96 - HB3 GLN 100 far 0 56 0 - 8.3-10.0 H LYS 96 - HB3 GLU 89 far 0 69 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 4890 from cnoeabs.peaks (4.03, 2.04, 29.26 ppm; 3.02 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 66 + HB2 GLU 66 OK 100 100 100 100 2.5-2.7 3.0=100 HA3 GLY 101 - HB3 GLN 100 far 0 56 0 - 4.0-4.5 HA GLU 87 - HB2 GLU 89 far 0 94 0 - 5.8-7.4 HA GLU 87 - HB3 GLU 89 far 0 94 0 - 6.9-7.4 HA GLU 92 - HB3 GLU 89 far 0 98 0 - 7.1-8.2 HA GLU 92 - HB2 GLU 89 far 0 98 0 - 7.3-8.3 HA GLU 87 - HB3 GLN 85 far 0 91 0 - 7.6-8.4 HA GLU 92 - HB3 GLU 98 far 0 50 0 - 8.2-9.0 HA3 GLY 101 - HB3 GLU 98 far 0 31 0 - 8.3-8.9 HA GLU 66 - HB3 GLN 100 far 0 89 0 - 9.9-11.3 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 10 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 - 5.4-6.9 HB3 GLU 92 - HB2 GLU 89 far 0 80 0 - 5.8-7.3 HB3 GLU 69 - HB2 GLU 66 far 0 99 0 - 6.3-6.9 HB3 GLU 69 - HB3 GLN 100 far 0 87 0 - 7.1-9.3 HB2 GLU 87 - HB2 GLU 89 far 0 100 0 - 7.4-9.1 HB2 GLU 87 - HB3 GLU 89 far 0 100 0 - 7.9-8.9 HB2 GLU 87 - HB3 GLN 85 far 0 99 0 - 8.8-9.9 HB2 GLU 103 - HB3 GLN 100 far 0 85 0 - 8.9-10.6 HB2 GLU 103 - HB3 GLU 98 far 0 50 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 4893 from cnoeabs.peaks (2.39, 2.04, 29.26 ppm; 3.12 A increased from 2.78 A): 4 out of 10 assignments used, quality = 1.00: * HG2 GLU 66 + HB2 GLU 66 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLN 85 + HB3 GLN 85 OK 78 78 100 100 2.4-3.0 3.0=100 HG2 GLN 85 + HB3 GLN 85 OK 71 71 100 100 2.4-3.0 3.0=100 HG2 GLU 98 + HB3 GLU 98 OK 37 37 100 100 2.6-3.0 3.0=100 HG2 GLU 98 - HB3 GLN 100 far 0 66 0 - 6.7-8.5 HG2 GLN 85 - HB2 GLU 89 far 0 73 0 - 6.7-12.2 HG3 MET 67 - HB2 GLU 66 far 0 99 0 - 7.0-7.6 HG3 GLN 85 - HB2 GLU 89 far 0 80 0 - 7.6-12.1 HG2 GLN 85 - HB3 GLU 89 far 0 73 0 - 7.9-12.2 HG3 GLN 85 - HB3 GLU 89 far 0 80 0 - 8.5-12.1 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 97 100 100 97 2.3-2.4 4909=63, 4910/1.8=53...(13) 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 GLU 69 - HB2 GLU 66 far 0 81 0 - 4.6-5.8 HB2 MET 67 - HB2 GLU 66 far 0 73 0 - 4.7-5.3 HB2 GLU 98 - HB3 GLN 100 far 0 81 0 - 6.8-8.6 HB2 MET 42 - HB2 GLU 66 far 0 99 0 - 7.6-8.2 HB2 GLU 69 - HB3 GLN 100 far 0 66 0 - 7.8-9.9 HB2 GLN 85 - HB2 GLU 89 far 0 80 0 - 8.4-11.1 HB3 GLU 37 - HB2 GLU 66 far 0 87 0 - 9.6-10.2 HB2 GLN 85 - HB3 GLU 89 far 0 80 0 - 9.7-10.8 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 2.2-2.6 1435=100, 408/411=51...(12) H GLU 66 - HB3 GLU 69 far 0 92 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 4896 from cnoeabs.peaks (4.03, 2.09, 29.26 ppm; 3.15 A increased from 2.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 66 + HB3 GLU 66 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 66 - HB3 GLU 69 far 0 92 0 - 4.4-5.0 Violated in 0 structures by 0.00 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 GLU 111 - HB2 GLU 112 far 0 52 0 - 5.0-6.5 HB3 MET 67 - HB3 GLU 66 far 0 94 0 - 5.1-5.6 HB3 GLU 111 - HB3 GLU 112 far 0 49 0 - 5.5-6.2 HB2 GLU 66 - HB3 GLU 69 far 0 92 0 - 6.3-6.9 HB3 GLN 100 - HB3 GLU 69 far 0 85 0 - 7.1-9.3 HB3 MET 67 - HB3 GLU 69 far 0 83 0 - 8.3-8.5 HB VAL 117 - HB2 GLU 112 far 0 78 0 - 8.6-10.6 HB VAL 117 - HB3 GLU 112 far 0 74 0 - 9.2-9.8 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 7 assignments used, quality = 1.00: * HG2 GLU 66 + HB3 GLU 66 OK 100 100 100 100 2.3-2.4 4904=100, 1.8/4910=77...(17) HG3 MET 67 - HB3 GLU 66 far 0 99 0 - 6.7-7.0 HG2 GLU 66 - HB3 GLU 69 far 0 92 0 - 7.2-8.3 HG3 MET 67 - HB3 GLU 69 far 0 91 0 - 8.9-10.2 HG2 GLN 85 - HB3 GLU 112 far 0 52 0 - 9.1-13.0 HG3 GLN 85 - HB3 GLU 112 far 0 58 0 - 9.5-13.3 HG2 GLN 85 - HB2 GLU 112 far 0 55 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 4900 from cnoeabs.peaks (2.19, 2.09, 29.26 ppm; 2.40 A): 1 out of 9 assignments used, quality = 0.69: HB2 GLU 69 + HB3 GLU 69 OK 69 69 100 100 1.8-1.8 1.8=100 ! HG3 GLU 66 - HB3 GLU 66 far 5 100 5 - 2.5-2.6 HB2 MET 67 - HB3 GLU 66 far 0 73 0 - 4.1-4.4 HB2 GLU 69 - HB3 GLU 66 far 0 81 0 - 5.6-6.3 HG3 GLU 66 - HB3 GLU 69 far 0 92 0 - 7.5-8.2 HB2 MET 42 - HB3 GLU 66 far 0 99 0 - 8.3-9.2 HB2 MET 67 - HB3 GLU 69 far 0 63 0 - 8.7-8.9 HB2 MET 42 - HB3 GLU 69 far 0 91 0 - 9.2-10.2 HB3 GLU 37 - HB3 GLU 66 far 0 87 0 - 9.3-9.6 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 2.3-2.8 1436=99, 1435/4904=73...(12) Violated in 0 structures by 0.00 A. Peak 4902 from cnoeabs.peaks (4.03, 2.39, 36.01 ppm; 3.58 A increased from 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 66 + HG2 GLU 66 OK 100 100 100 100 2.9-3.4 3.7=87, 4908/1.8=70...(16) Violated in 0 structures by 0.00 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 3.0-3.0 3.0=100 HB3 MET 67 - HG2 GLU 66 far 0 94 0 - 6.9-7.6 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 2.3-2.4 4899=89, 4910/1.8=73...(17) HB3 GLU 69 - HG2 GLU 66 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 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 3 assignments used, quality = 1.00: * HG3 GLU 66 + HG2 GLU 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 69 - HG2 GLU 66 far 0 81 0 - 5.9-6.8 HB2 MET 67 - HG2 GLU 66 far 0 73 0 - 6.1-6.7 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 3.7-4.0 1437=98, 1435/4910=81...(13) Violated in 0 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 3.5-3.6 3.7=95, 4902/1.8=76...(12) Violated in 0 structures by 0.00 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 2.3-2.4 3.0=82, 1.8/4910=70...(16) HB3 MET 67 - HG3 GLU 66 far 0 94 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 4910 from cnoeabs.peaks (2.09, 2.19, 36.01 ppm; 2.65 A increased from 2.49 A): 1 out of 2 assignments used, quality = 0.99: * HB3 GLU 66 + HG3 GLU 66 OK 99 100 100 99 2.5-2.6 3.0=69, 1.8/4909=59...(17) HB3 GLU 69 - HG3 GLU 66 far 0 99 0 - 7.5-8.2 Violated in 0 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 - 9.2-9.3 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): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 67 + HA MET 67 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 MET 42 - HA MET 67 far 0 87 0 - 5.2-6.1 HB2 GLU 69 - HA MET 67 far 0 100 0 - 5.2-6.2 HG3 GLU 66 - HA MET 67 far 0 73 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 4916 from cnoeabs.peaks (2.05, 3.95, 59.96 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 67 + HA MET 67 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 66 - HA MET 67 far 0 94 0 - 4.0-4.5 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 2.3-2.5 3.7=100 HB3 ASP 60 - HA MET 67 far 0 100 0 - 10.0-12.0 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 3.0-3.7 3.7=100 HG2 GLU 66 - HA MET 67 far 0 99 0 - 6.4-6.6 HG3 GLN 62 - HA MET 67 far 0 70 0 - 8.3-9.1 HG2 GLN 62 - HA MET 67 far 0 65 0 - 9.2-10.6 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 6 assignments used, quality = 0.78: QE MET 42 + HA MET 67 OK 71 81 100 88 2.6-3.4 9430/9702=37, 9424=32...(10) * QE MET 67 + HA MET 67 OK 25 100 25 99 3.4-4.1 4949=72, 4950/3.0=58...(10) HB ILE 71 - HA MET 67 far 0 73 0 - 5.7-6.1 HB2 LEU 63 - HA MET 67 far 0 94 0 - 7.6-8.2 HG LEU 45 - HA MET 67 far 0 100 0 - 8.2-8.6 HB2 LYS 73 - HA MET 67 far 0 77 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 4920 from cnoeabs.peaks (8.39, 2.20, 33.44 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + HB2 MET 67 OK 100 100 100 100 2.2-2.4 4.0=100 H ASP 31 - HG3 GLN 28 far 0 37 0 - 7.1-10.5 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 2.5-2.7 3.0=100 HB3 SER 35 - HB2 MET 67 far 0 100 0 - 8.8-9.5 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 10 assignments used, quality = 1.00: * HB3 MET 67 + HB2 MET 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 1 + HB3 MET 1 OK 30 30 100 100 1.8-1.8 1.8=100 HB2 GLN 28 + HG3 GLN 28 OK 30 46 80 81 2.3-3.0 3.0=73, 4.0/1183=18, 4.6/162=13 HG3 GLU 52 - HG3 GLN 28 far 0 61 0 - 4.3-8.3 HB2 GLU 66 - HB2 MET 67 far 0 94 0 - 4.7-5.3 HB3 GLU 48 - HG3 GLN 28 far 0 55 0 - 7.6-14.7 HB2 GLU 48 - HG3 GLN 28 far 0 55 0 - 7.9-14.6 HB2 GLU 48 - HB3 MET 1 far 0 52 0 - 8.2-15.7 HG3 GLU 52 - HB3 MET 1 far 0 58 0 - 8.8-12.3 HB3 GLU 48 - HB3 MET 1 far 0 52 0 - 9.4-14.4 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 2.5-3.0 3.0=100 HE3 LYS 77 - HB3 MET 1 far 0 52 0 - 7.8-13.9 HB3 ASP 60 - HB2 MET 67 far 0 100 0 - 7.9-9.8 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 2.6-3.0 3.0=100 HG2 GLU 66 - HB2 MET 67 far 0 99 0 - 6.1-6.7 HG3 GLN 62 - HB2 MET 67 far 0 70 0 - 7.4-8.3 HG2 GLN 62 - HB2 MET 67 far 0 65 0 - 8.4-9.7 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 12 assignments used, quality = 1.00: * QE MET 67 + HB2 MET 67 OK 100 100 100 100 2.0-2.4 4.3=100 QE MET 42 + HB2 MET 67 OK 43 81 60 89 4.0-4.6 4919/3.0=54, 9427/3.0=46...(6) HB2 LYS 49 - HB3 MET 1 far 0 30 0 - 5.1-13.8 HB2 LEU 63 - HB2 MET 67 far 0 94 0 - 5.3-6.0 HB ILE 71 - HB2 MET 67 far 0 73 0 - 7.1-7.5 QE MET 42 - HG3 GLN 28 far 0 44 0 - 8.4-11.5 HG LEU 45 - HG3 GLN 28 far 0 63 0 - 8.9-12.0 HG LEU 45 - HB2 MET 67 far 0 100 0 - 9.1-10.0 QE MET 67 - HG3 GLN 28 far 0 63 0 - 9.2-12.2 QE MET 42 - HB3 MET 1 far 0 42 0 - 9.2-12.6 HB2 LYS 49 - HG3 GLN 28 far 0 32 0 - 9.4-17.2 HG LEU 45 - HB3 MET 1 far 0 60 0 - 10.0-14.6 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 2.7-3.0 4.0=100 H PHE 79 - HB3 MET 67 far 0 57 0 - 8.9-9.6 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 1 assignment used, quality = 1.00: * HA MET 67 + HB3 MET 67 OK 100 100 100 100 3.0-3.0 3.0=100 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 5 assignments used, quality = 1.00: * HB2 MET 67 + HB3 MET 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 69 - HB3 MET 67 far 0 100 0 - 6.8-7.1 HB2 MET 42 - HB3 MET 67 far 0 87 0 - 7.4-8.7 HG3 GLU 66 - HB3 MET 67 far 0 73 0 - 7.7-8.0 HB2 GLN 100 - HB3 MET 67 far 0 97 0 - 9.9-10.9 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 2.6-3.0 3.0=100 HB3 ASP 60 - HB3 MET 67 far 0 100 0 - 8.9-10.8 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 2.3-2.4 3.0=100 HG2 GLU 66 - HB3 MET 67 far 0 99 0 - 6.9-7.6 HG3 GLN 62 - HB3 MET 67 far 0 70 0 - 8.7-9.3 HG2 GLN 62 - HB3 MET 67 far 0 65 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 4933 from cnoeabs.peaks (1.88, 2.05, 33.44 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: * QE MET 67 + HB3 MET 67 OK 100 100 100 100 3.0-3.3 4951=100, 4950/1.8=86...(8) QE MET 42 - HB3 MET 67 far 4 81 5 - 4.0-4.4 HB ILE 71 - HB3 MET 67 far 0 73 0 - 5.7-6.3 HB2 LEU 63 - HB3 MET 67 far 0 94 0 - 6.5-7.3 HG LEU 45 - HB3 MET 67 far 0 100 0 - 9.5-10.3 HB ILE 7 - HB3 MET 67 far 0 87 0 - 9.8-10.3 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 2 assignments used, quality = 1.00: * H MET 67 + HG2 MET 67 OK 100 100 100 100 4.3-4.4 1442=90, 410/3.0=85...(9) H PHE 79 - HG2 MET 67 far 0 57 0 - 9.0-10.4 Violated in 2 structures by 0.00 A. Peak 4935 from cnoeabs.peaks (3.95, 2.57, 32.07 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HG2 MET 67 OK 100 100 100 100 2.3-2.5 3.7=100 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 4 assignments used, quality = 1.00: * HB2 MET 67 + HG2 MET 67 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 MET 42 - HG2 MET 67 far 0 87 0 - 4.9-6.5 HB2 GLU 69 - HG2 MET 67 far 0 100 0 - 7.2-8.1 HG3 GLU 66 - HG2 MET 67 far 0 73 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 4937 from cnoeabs.peaks (2.05, 2.57, 32.07 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 67 + HG2 MET 67 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 66 - HG2 MET 67 far 0 94 0 - 6.2-6.8 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 3 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 - 8.1-8.8 HG3 GLN 62 - HG2 MET 67 far 0 70 0 - 9.9-10.7 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 6 assignments used, quality = 1.00: * QE MET 67 + HG2 MET 67 OK 100 100 100 100 2.4-3.4 3.3=100 QE MET 42 + HG2 MET 67 OK 66 81 100 82 1.9-2.3 9427/1.8=47, 4919/3.7=38...(5) HB ILE 71 - HG2 MET 67 far 0 73 0 - 5.0-6.4 HG LEU 45 - HG2 MET 67 far 0 100 0 - 6.7-7.6 HB2 LEU 63 - HG2 MET 67 far 0 94 0 - 7.6-8.8 HB2 LYS 73 - HG2 MET 67 far 0 77 0 - 9.4-11.1 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 2 assignments used, quality = 1.00: * H MET 67 + HG3 MET 67 OK 100 100 100 100 4.5-4.6 5.1=98, 1441/3.0=96...(12) H PHE 79 - HG3 MET 67 far 0 57 0 - 8.3-9.1 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 1 assignment used, quality = 1.00: * HA MET 67 + HG3 MET 67 OK 100 100 100 100 3.0-3.7 3.7=100 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 4 assignments used, quality = 1.00: * HB2 MET 67 + HG3 MET 67 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 MET 42 - HG3 MET 67 far 0 87 0 - 6.4-8.1 HB2 GLU 69 - HG3 MET 67 far 0 100 0 - 7.6-9.0 HG3 GLU 66 - HG3 MET 67 far 0 73 0 - 9.2-9.3 Violated in 0 structures by 0.00 A. Peak 4944 from cnoeabs.peaks (2.05, 2.40, 32.07 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 67 + HG3 MET 67 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 GLU 66 - HG3 MET 67 far 0 94 0 - 7.0-7.6 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 - 9.8-12.4 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 2.2-3.4 3.3=100 QE MET 42 + HG3 MET 67 OK 76 81 100 94 2.0-3.5 9427=62, 4919/3.7=41...(8) HB ILE 71 - HG3 MET 67 far 0 73 0 - 4.8-6.5 HB2 LEU 63 - HG3 MET 67 far 0 94 0 - 7.2-8.7 HG LEU 45 - HG3 MET 67 far 0 100 0 - 7.6-8.7 HB ILE 7 - HG3 MET 67 far 0 87 0 - 8.9-10.6 HB2 LYS 73 - HG3 MET 67 far 0 77 0 - 9.6-12.3 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 3.5-4.1 1444=87, 1441/4951=74...(11) H ASP 31 - QE MET 67 far 0 70 0 - 6.7-7.4 H ASP 36 - QE MET 67 far 0 98 0 - 7.9-8.4 H PHE 79 - QE MET 67 far 0 57 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4949 from cnoeabs.peaks (3.95, 1.88, 16.76 ppm; 4.08 A increased from 3.62 A): 1 out of 2 assignments used, quality = 0.99: * HA MET 67 + QE MET 67 OK 99 100 100 99 3.4-4.1 3.0/4950=70, 3.0/4951=69...(10) HB3 SER 35 - QE MET 67 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 4950 from cnoeabs.peaks (2.20, 1.88, 16.76 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.98: * HB2 MET 67 + QE MET 67 OK 98 100 100 98 2.0-2.4 1.8/4951=70, 4.3=55...(10) HB2 MET 42 - QE MET 67 far 0 87 0 - 5.4-7.2 HG3 GLU 66 - QE MET 67 far 0 73 0 - 6.6-6.9 HB2 GLU 69 - QE MET 67 far 0 100 0 - 7.8-8.6 HG3 GLN 28 - QE MET 67 far 0 100 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 4951 from cnoeabs.peaks (2.05, 1.88, 16.76 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.99: * HB3 MET 67 + QE MET 67 OK 99 100 100 99 3.0-3.3 4933=75, 1.8/4950=75...(8) HB2 GLU 66 - QE MET 67 far 0 94 0 - 5.2-5.9 HB2 GLN 28 - QE MET 67 far 0 84 0 - 9.9-11.2 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 2.4-3.4 3.3=100 HB3 ASP 60 - QE MET 67 far 0 100 0 - 6.2-7.8 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 2.2-3.4 3.3=100 HG2 GLU 66 - QE MET 67 far 0 99 0 - 6.2-6.9 HG3 GLN 62 - QE MET 67 far 0 70 0 - 6.8-7.8 HG2 GLN 62 - QE MET 67 far 0 65 0 - 7.9-8.8 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 3.0-3.0 2.9=100 HB2 LEU 80 - HA LEU 68 far 0 98 0 - 6.0-6.4 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 2.4-2.5 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): 1 out of 4 assignments used, quality = 1.00: * HG LEU 68 + HA LEU 68 OK 100 100 100 100 2.9-3.5 3.7=100 HB3 LEU 70 - HA LEU 68 far 0 65 0 - 6.6-7.1 HG2 LYS 73 - HA LEU 68 far 0 94 0 - 7.6-9.4 HG LEU 82 - HA LEU 68 far 0 92 0 - 10.0-10.5 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 3.8-4.0 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 = 1.00: * QD2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.0-2.5 4991=100, 1451/3.0=43...(14) 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 2.4-2.7 1447=100, 1448/1.8=75...(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 3.0-3.0 2.9=100 HA LYS 65 + HB2 LEU 68 OK 72 77 100 94 2.7-3.3 8125=68, 8127/1.8=31...(7) HB2 SER 58 - HB2 LEU 68 far 0 100 0 - 9.0-10.1 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 3 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 - 7.6-8.3 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 5 assignments used, quality = 1.00: * HG LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.4-2.7 3.0=100 HG12 ILE 116 - HB2 LEU 114 far 0 70 0 - 6.3-8.5 HB3 LEU 70 - HB2 LEU 68 far 0 65 0 - 8.0-8.3 HG2 LYS 73 - HB2 LEU 68 far 0 94 0 - 8.3-10.1 HG LEU 82 - HB2 LEU 68 far 0 92 0 - 9.4-9.7 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 2.0-2.4 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 3.1-3.2 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 3.6-3.6 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.4-2.5 2.9=100 HA LYS 65 - HB3 LEU 68 far 0 77 0 - 4.2-4.8 HB2 SER 58 - HB3 LEU 68 far 0 100 0 - 9.7-10.8 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 - 5.2-6.0 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 4 assignments used, quality = 1.00: * HG LEU 68 + HB3 LEU 68 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 73 - HB3 LEU 68 far 0 94 0 - 8.3-10.1 HB3 LEU 70 - HB3 LEU 68 far 0 65 0 - 8.4-8.7 HG LEU 82 - HB3 LEU 68 far 0 92 0 - 9.2-9.6 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 2.3-2.7 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 2.1-2.5 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 2.0-2.4 1449=100, 1450/2.1=73...(13) 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 2.9-3.5 3.7=100 HA LYS 65 + HG LEU 68 OK 73 77 100 95 2.4-3.9 8125/3.0=52, 4984/2.1=49...(7) HB2 SER 58 - HG LEU 68 far 0 100 0 - 6.8-7.8 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 2 assignments used, quality = 1.00: * HB2 LEU 68 + HG LEU 68 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LEU 80 - HG LEU 68 far 0 98 0 - 5.2-5.6 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 3.0-3.0 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 3.1-3.7 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 = 0.84: HA LYS 65 + QD1 LEU 68 OK 67 77 100 87 1.9-2.9 8125/3.1=39, 8127/3.1=28...(9) * HA LEU 68 + QD1 LEU 68 OK 50 100 50 100 3.8-4.0 4.0=86, 4991/2.1=80...(12) HB2 SER 58 - QD1 LEU 68 far 0 100 0 - 6.5-7.7 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 2.0-2.4 3.1=100 HB2 LEU 80 + QD1 LEU 68 OK 32 98 35 93 3.1-4.2 3.1/9922=54...(8) HB3 LEU 82 - QD1 LEU 68 far 0 90 0 - 7.5-8.0 HB3 LYS 94 - QD1 LEU 68 far 0 87 0 - 7.5-8.7 HG3 ARG 105 - QD1 LEU 68 far 0 99 0 - 9.7-11.7 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 2.3-2.7 3.1=100 HG2 LYS 94 - QD1 LEU 68 far 0 87 0 - 7.6-8.9 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 - 5.4-5.7 HG3 LYS 96 - QD1 LEU 68 far 0 65 0 - 7.5-8.5 HB3 LEU 70 - QD1 LEU 68 far 0 65 0 - 8.7-9.1 HG2 LYS 73 - QD1 LEU 68 far 0 94 0 - 9.1-10.7 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 2.0-2.1 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 2.4-3.6 1451=100, 1449/2.1=97...(11) Violated in 0 structures by 0.00 A. Peak 4991 from cnoeabs.peaks (3.78, 0.38, 23.07 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.0-2.5 4961=97, 3.0/1451=42...(14) HA LYS 65 - QD2 LEU 68 far 0 77 0 - 4.1-4.8 HB2 SER 58 - QD2 LEU 68 far 0 100 0 - 6.3-7.5 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 3.1-3.2 3.1=100 HB2 LEU 80 + QD2 LEU 68 OK 92 98 100 94 2.5-3.3 3.1/10967=38, ~9922=37...(9) HB3 LEU 82 - QD2 LEU 68 far 0 90 0 - 8.3-8.8 HB3 LYS 94 - QD2 LEU 68 far 0 87 0 - 8.9-10.0 HG3 ARG 105 - QD2 LEU 68 far 0 99 0 - 9.3-11.2 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 2.1-2.5 3.1=100 HG2 LYS 94 - QD2 LEU 68 far 0 87 0 - 8.5-9.8 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 HG LEU 82 - QD2 LEU 68 far 0 92 0 - 5.9-6.3 HB3 LEU 70 - QD2 LEU 68 far 0 65 0 - 7.4-8.5 HG2 LYS 73 - QD2 LEU 68 far 0 94 0 - 8.7-10.2 HG3 LYS 96 - QD2 LEU 68 far 0 65 0 - 9.8-10.9 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 2.0-2.1 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): 1 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 far 0 81 0 - 4.3-4.9 H ASP 34 - HA GLU 37 far 0 62 0 - 5.4-5.7 H LEU 74 - HA GLU 69 far 0 65 0 - 6.5-7.3 HD21 ASN 50 - HA LYS 44 far 0 89 0 - 7.0-13.1 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 9 assignments used, quality = 1.00: * HB2 GLU 69 + HA GLU 69 OK 100 100 100 100 2.6-3.0 2.9=100 HG2 GLU 48 - HA LYS 44 far 0 93 0 - 3.5-9.0 HB2 GLN 100 - HA GLU 69 far 0 94 0 - 5.0-7.1 HB2 MET 42 - HA LYS 44 far 0 81 0 - 7.5-8.0 HB2 MET 67 - HA GLU 69 far 0 100 0 - 8.3-8.5 HG3 GLU 66 - HA GLU 69 far 0 81 0 - 9.0-9.5 HB2 MET 42 - HA GLU 37 far 0 64 0 - 9.1-10.0 HB2 MET 42 - HA GLU 69 far 0 92 0 - 9.3-10.4 HB2 MET 67 - HA GLU 37 far 0 76 0 - 9.7-10.6 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 = 0.99: * HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.3-2.5 5010=89, 5024/5022=36...(16) HB3 GLU 66 - HA GLU 69 far 0 99 0 - 8.1-8.4 HG2 GLU 52 - HA LYS 44 far 0 79 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 5001 from cnoeabs.peaks (2.27, 4.05, 59.42 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.74: HB2 GLU 37 + HA GLU 37 OK 74 74 100 100 2.5-2.7 3.0=100 ! HG2 GLU 69 - HA GLU 69 far 0 100 0 - 3.3-3.5 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 3 assignments used, quality = 0.99: * HG3 GLU 69 + HA GLU 69 OK 95 100 95 100 2.4-3.8 5022=100, 5024/5000=71...(14) HG2 GLU 37 + HA GLU 37 OK 73 73 100 100 2.2-2.7 3505=98, 1.8/3511=61...(9) HG2 GLN 100 - HA GLU 69 far 0 99 0 - 4.4-7.3 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 2.2-2.7 1454=100, 1455/1.8=68...(12) H GLN 100 + HB2 GLN 100 OK 81 82 100 98 2.2-3.6 4.0=66, 1665/1.8=61...(9) H GLU 69 - HB2 GLN 100 far 0 84 0 - 6.1-7.7 H LEU 74 - HB2 GLU 69 far 0 65 0 - 7.7-9.0 H LEU 64 - HB2 GLU 69 far 0 100 0 - 9.0-9.9 H LEU 74 - HB2 GLN 100 far 0 48 0 - 9.6-12.8 H GLN 100 - HB2 GLU 69 far 0 99 0 - 10.0-11.5 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 3 assignments used, quality = 1.00: * HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.6-3.0 2.9=100 HA GLU 69 - HB2 GLN 100 far 0 84 0 - 5.0-7.1 HA LYS 96 - HB2 GLN 100 far 0 72 0 - 6.5-8.9 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 4 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 - 5.6-6.3 HB3 GLU 69 - HB2 GLN 100 far 0 84 0 - 7.0-9.0 HB2 GLU 103 - HB2 GLN 100 far 0 84 0 - 9.0-10.7 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 2.3-3.0 5017=100, ~5024=41...(12) HG2 GLU 69 - HB2 GLN 100 far 0 84 0 - 6.5-9.2 HG2 GLU 103 - HB2 GLN 100 far 0 52 0 - 9.9-12.9 Violated in 1 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 2.4-3.0 3.0=100 HG2 GLN 100 + HB2 GLN 100 OK 82 82 100 100 2.3-2.7 3.0=100 HG3 GLU 69 - HB2 GLN 100 far 0 84 0 - 5.3-9.3 HG2 GLN 100 - HB2 GLU 69 far 0 99 0 - 7.0-9.1 HG3 GLU 98 - HB2 GLN 100 far 0 84 0 - 7.2-9.9 Violated in 0 structures by 0.00 A. Peak 5009 from cnoeabs.peaks (7.63, 2.09, 29.14 ppm; 3.71 A increased from 3.49 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 69 + HB3 GLU 69 OK 100 100 100 100 3.5-3.6 1455=100, 1454/1.8=88...(11) H LYS 115 - HB2 GLU 112 far 0 85 0 - 4.7-5.6 H LEU 64 - HB3 GLU 66 far 0 92 0 - 4.8-5.4 H LYS 115 - HB3 GLU 112 far 0 83 0 - 5.0-5.5 H GLU 69 - HB3 GLU 66 far 0 92 0 - 5.8-6.0 H LEU 74 - HB3 GLU 69 far 0 65 0 - 7.4-8.2 HE21 GLN 85 - HB3 GLU 112 far 0 93 0 - 9.0-15.1 H ASP 34 - HB3 GLU 66 far 0 78 0 - 9.1-9.5 H GLN 100 - HB3 GLU 69 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 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 2.3-2.5 5000=100, 5022/5024=39...(16) HA SER 35 - HB3 GLU 66 far 0 83 0 - 5.3-5.8 HA GLU 69 - HB3 GLU 66 far 0 92 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 5011 from cnoeabs.peaks (2.20, 2.09, 29.14 ppm; 2.40 A): 1 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 far 3 69 5 - 2.5-2.6 HB2 MET 67 - HB3 GLU 66 far 0 92 0 - 4.1-4.4 HB2 GLU 69 - HB3 GLU 66 far 0 92 0 - 5.6-6.3 HB2 GLN 100 - HB3 GLU 69 far 0 94 0 - 7.0-9.0 HG3 GLU 66 - HB3 GLU 69 far 0 81 0 - 7.5-8.2 HB2 GLN 83 - HB3 GLU 112 far 0 80 0 - 8.0-8.6 HB2 GLN 83 - HB2 GLU 112 far 0 83 0 - 8.2-10.4 HB2 MET 42 - HB3 GLU 66 far 0 81 0 - 8.3-9.2 HB2 MET 67 - HB3 GLU 69 far 0 100 0 - 8.7-8.9 HB2 MET 42 - HB3 GLU 69 far 0 92 0 - 9.2-10.2 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; 3.02 A increased from 2.68 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 111 - HB2 GLU 112 far 0 95 0 - 3.4-8.4 HG2 GLU 111 - HB2 GLU 112 far 0 74 0 - 3.7-8.2 HG2 GLU 111 - HB3 GLU 112 far 0 71 0 - 4.4-7.5 HG3 GLU 111 - HB3 GLU 112 far 0 93 0 - 4.4-7.8 HG2 GLU 69 - HB3 GLU 66 far 0 92 0 - 5.7-6.7 HB2 GLU 37 - HB3 GLU 66 far 0 91 0 - 9.8-10.5 HB3 ASN 8 - HB3 GLU 66 far 0 92 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 5014 from cnoeabs.peaks (2.44, 2.09, 29.14 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 GLU 69 - HB3 GLU 66 far 0 92 0 - 5.1-7.9 HG2 GLN 100 - HB3 GLU 69 far 0 99 0 - 6.4-8.4 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 8 assignments used, quality = 1.00: * H GLU 69 + HG2 GLU 69 OK 100 100 100 100 2.0-3.9 1456=100, 1454/5017=82...(12) H LYS 115 - HG3 GLU 111 far 0 89 0 - 5.6-8.2 HE21 GLN 85 - HG2 GLU 89 far 0 82 0 - 6.3-13.9 H LYS 115 - HG2 GLU 111 far 0 52 0 - 6.4-8.0 HD21 ASN 10 - HG2 GLU 89 far 0 60 0 - 7.0-12.6 H LEU 74 - HG2 GLU 69 far 0 65 0 - 7.1-10.1 H LEU 64 - HG2 GLU 69 far 0 100 0 - 8.2-10.5 H GLN 100 - HG2 GLU 69 far 0 99 0 - 8.8-12.4 Violated in 1 structures by 0.00 A. Peak 5016 from cnoeabs.peaks (4.05, 2.27, 36.01 ppm; 3.47 A increased from 3.08 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 69 + HG2 GLU 69 OK 100 100 100 100 3.3-3.5 2.9/5017=75, 5022/1.8=74...(14) HA GLU 87 - HG2 GLU 89 far 0 41 0 - 4.8-7.9 HA GLU 91 - HG3 GLU 92 far 0 53 0 - 5.5-6.3 HA GLU 87 - HG3 GLU 92 far 0 46 0 - 7.4-8.3 HA GLU 91 - HG2 GLU 89 far 0 47 0 - 7.5-9.8 HA LYS 96 - HG3 GLU 92 far 0 78 0 - 8.1-9.7 Violated in 1 structures by 0.00 A. Peak 5017 from cnoeabs.peaks (2.20, 2.27, 36.01 ppm; 2.40 A): 1 out of 5 assignments used, quality = 0.85: * HB2 GLU 69 + HG2 GLU 69 OK 85 100 95 89 2.3-3.0 5007=53, ~5024=25...(12) HG3 GLU 66 - HG2 GLU 69 far 0 81 0 - 6.4-7.1 HB2 GLN 100 - HG2 GLU 69 far 0 94 0 - 6.5-9.2 HB2 MET 67 - HG2 GLU 69 far 0 100 0 - 7.0-7.9 HB2 MET 42 - HG2 GLU 69 far 0 92 0 - 7.4-10.9 Violated in 1 structures by 0.03 A. Peak 5018 from cnoeabs.peaks (2.09, 2.27, 36.01 ppm; 2.71 A increased from 2.41 A): 1 out of 18 assignments used, quality = 0.44: HB2 GLU 111 + HG2 GLU 111 OK 44 52 100 84 2.3-2.6 3.0=73, 3.0/6595=15...(6) HB2 GLU 111 - HG3 GLU 111 poor 19 89 25 85 2.3-3.0 3.0=73, 3.0/6596=16...(6) ! HB3 GLU 69 - HG2 GLU 69 far 5 100 5 - 2.5-3.0 HB3 GLU 92 - HG3 GLU 92 far 0 53 0 - 3.0-3.0 HB2 GLU 112 - HG3 GLU 111 far 0 97 0 - 3.4-8.4 HB2 GLU 112 - HG2 GLU 111 far 0 60 0 - 3.7-8.2 HB3 GLU 112 - HG2 GLU 111 far 0 59 0 - 4.4-7.5 HB3 GLU 112 - HG3 GLU 111 far 0 96 0 - 4.4-7.8 HB3 GLU 66 - HG2 GLU 69 far 0 99 0 - 5.7-6.7 HB3 GLU 92 - HG2 GLU 89 far 0 47 0 - 6.1-8.4 HB2 LYS 94 - HG3 GLU 92 far 0 50 0 - 6.4-8.7 HB2 GLU 87 - HG2 GLU 89 far 0 80 0 - 6.6-8.8 HG3 GLU 21 - HG3 GLU 111 far 0 74 0 - 6.9-10.5 HG2 GLU 21 - HG3 GLU 111 far 0 66 0 - 7.7-11.4 HB2 GLU 87 - HG3 GLU 92 far 0 87 0 - 7.9-9.5 HG3 GLU 21 - HG2 GLU 111 far 0 41 0 - 8.1-11.9 HG2 GLU 21 - HG2 GLU 111 far 0 36 0 - 8.8-11.7 HB2 LYS 94 - HG2 GLU 89 far 0 44 0 - 8.9-11.6 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 2 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 - 5.8-9.8 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 2.8-3.0 1457=100, 1456/1.8=70...(10) H GLN 100 - HG3 GLU 69 far 0 99 0 - 7.7-12.2 H LEU 74 - HG3 GLU 69 far 0 65 0 - 8.2-9.7 H LEU 64 - HG3 GLU 69 far 0 100 0 - 8.8-10.3 Violated in 0 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 = 0.95: * HA GLU 69 + HG3 GLU 69 OK 95 100 95 100 2.4-3.8 5000/5024=69...(14) HA SER 35 - HG3 GLU 69 far 0 94 0 - 9.8-13.6 Violated in 1 structures by 0.02 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 2.4-3.0 3.0=100 HB2 GLN 100 - HG3 GLU 69 far 0 94 0 - 5.3-9.3 HG3 GLU 66 - HG3 GLU 69 far 0 81 0 - 5.7-8.5 HB2 MET 67 - HG3 GLU 69 far 0 100 0 - 6.4-9.0 HB2 MET 42 - HG3 GLU 69 far 0 92 0 - 7.5-11.8 Violated in 0 structures by 0.00 A. Peak 5024 from cnoeabs.peaks (2.09, 2.44, 36.01 ppm; 2.72 A increased from 2.56 A): 1 out of 2 assignments used, quality = 0.92: * HB3 GLU 69 + HG3 GLU 69 OK 92 100 95 97 2.5-3.0 3.0=74, ~5017=37...(9) HB3 GLU 66 - HG3 GLU 69 far 0 99 0 - 5.1-7.9 Violated in 1 structures by 0.01 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 2.8-2.8 3.0=100 H LYS 73 + HA LEU 70 OK 94 98 100 96 3.5-3.8 2126=77, 1479/8160=42...(6) 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): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 MET 42 - HA LEU 70 far 0 96 0 - 6.3-7.2 HB2 LYS 39 - HA LEU 70 far 0 96 0 - 8.2-9.2 HB3 LYS 39 - HA LEU 70 far 0 98 0 - 9.1-10.7 HB2 LYS 65 - HA LEU 70 far 0 96 0 - 9.8-10.5 HB3 LYS 65 - HA LEU 70 far 0 94 0 - 9.8-11.3 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 2.4-2.5 3.0=100 HG LEU 68 - HA LEU 70 far 0 65 0 - 8.6-9.0 HB VAL 78 - HA LEU 70 far 0 84 0 - 9.4-9.7 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 2.7-2.9 3.6=97, 2.1/5063=81...(13) QE MET 42 - HA LEU 70 far 0 65 0 - 4.7-5.7 Violated in 0 structures by 0.00 A. Peak 5032 from cnoeabs.peaks (0.91, 4.16, 57.77 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-2.6 5063=100, 2.1/5031=49...(14) ! QD1 LEU 70 - HA LEU 70 far 0 100 0 - 3.9-3.9 QD2 LEU 38 - HA LEU 70 far 0 70 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 5033 from cnoeabs.peaks (0.90, 4.16, 57.77 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-2.6 5063=100, 2.1/5031=49...(14) QD1 LEU 70 - HA LEU 70 far 0 100 0 - 3.9-3.9 QD2 LEU 38 - HA LEU 70 far 0 81 0 - 6.3-7.0 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 2 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.4-2.6 3.8=100 H LYS 73 - HB2 LEU 70 far 0 98 0 - 5.7-6.1 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 2 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 124 + HB2 LEU 127 OK 34 47 90 81 2.5-3.8 10653/3.1=32...(8) 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 5 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 far 0 68 0 - 3.5-4.6 HG LEU 68 - HB2 LEU 70 far 0 65 0 - 6.9-7.3 HG2 LYS 123 - HB2 LEU 127 far 0 75 0 - 8.1-10.0 HB VAL 78 - HB2 LEU 70 far 0 84 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 5038 from cnoeabs.peaks (1.85, 1.94, 41.94 ppm; 3.20 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.6-2.7 3.0=100 HG LEU 127 + HB2 LEU 127 OK 66 66 100 100 2.4-2.5 3.0=100 QE MET 42 + HB2 LEU 70 OK 36 65 65 84 2.4-3.4 438/436=33, 9430/3.1=24...(13) HB3 LYS 77 - HB2 LEU 127 far 0 72 0 - 4.0-5.2 HB2 LYS 77 - HB2 LEU 127 far 0 75 0 - 4.5-5.9 HD2 LYS 123 - HB2 LEU 127 far 0 75 0 - 8.4-10.3 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 2.0-2.1 3.1=100 QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.1-3.2 3.1=100 QD2 LEU 38 - HB2 LEU 70 far 0 70 0 - 4.8-5.4 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 3.1-3.2 3.1=100 QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-2.1 3.1=100 QD2 LEU 38 - HB2 LEU 70 far 0 81 0 - 4.8-5.4 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 3.6-3.6 3.8=100 H LYS 73 - HB3 LEU 70 far 0 98 0 - 5.3-5.7 H GLU 47 - HB3 LEU 70 far 0 99 0 - 9.2-10.5 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 2.4-2.5 3.0=100 HA LEU 45 - HB3 LEU 70 far 0 84 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 5043 from cnoeabs.peaks (1.94, 1.57, 41.94 ppm; 2.98 A): 1 out of 6 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 far 0 96 0 - 3.9-4.9 HB2 LYS 39 - HB3 LEU 70 far 0 96 0 - 6.6-7.7 HB3 LYS 39 - HB3 LEU 70 far 0 98 0 - 7.7-9.2 HB2 GLU 41 - HB3 LEU 70 far 0 96 0 - 7.9-10.3 HB3 GLU 41 - HB3 LEU 70 far 0 97 0 - 8.5-9.9 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): 1 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 42 - HB3 LEU 70 poor 20 65 35 86 2.9-4.1 438/437=33, 9430/3.1=28...(13) 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 2.6-2.7 3.1=100 QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.0-2.2 3.1=100 QD2 LEU 38 - HB3 LEU 70 far 0 70 0 - 5.1-6.0 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 2.0-2.2 3.1=99 QD1 LEU 70 + HB3 LEU 70 OK 99 100 100 99 2.6-2.7 3.1=99 QD2 LEU 38 - HB3 LEU 70 far 0 81 0 - 5.1-6.0 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 2.1-2.6 1462=100, 1464/2.1=71...(11) H LYS 73 - HG LEU 70 far 0 98 0 - 6.1-6.4 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 2.7-2.9 3.6=100 HA ALA 124 + HG LEU 127 OK 44 51 100 87 2.1-2.7 10653/2.1=45...(8) Violated in 0 structures by 0.00 A. Peak 5050 from cnoeabs.peaks (1.94, 1.85, 26.77 ppm; 3.21 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.6-2.7 3.0=100 HB2 LEU 127 + HG LEU 127 OK 73 73 100 100 2.4-2.5 3.0=100 HB2 LYS 123 - HG LEU 127 far 0 75 0 - 4.2-5.8 HB3 MET 42 - HG LEU 70 far 0 96 0 - 5.3-6.1 HB3 GLU 128 - HG LEU 127 far 0 66 0 - 6.4-7.5 HB2 LYS 39 - HG LEU 70 far 0 96 0 - 6.4-7.4 HB3 LYS 39 - HG LEU 70 far 0 98 0 - 6.9-8.7 HB2 LYS 65 - HG LEU 70 far 0 96 0 - 7.6-8.8 HB3 LYS 65 - HG LEU 70 far 0 94 0 - 8.2-9.8 HB2 GLU 41 - HG LEU 70 far 0 96 0 - 9.1-11.4 HB3 GLU 41 - HG LEU 70 far 0 97 0 - 10.0-11.3 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 3.0-3.0 3.0=100 HG12 ILE 3 - HG LEU 127 far 0 73 0 - 4.8-6.9 HG2 LYS 123 - HG LEU 127 far 0 80 0 - 5.7-7.8 HG LEU 68 - HG LEU 70 far 0 65 0 - 7.7-8.5 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 - 4.2-4.8 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 - 4.2-4.8 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 3.1-3.3 1463=100, 1462/2.1=92...(12) H LYS 73 - QD1 LEU 70 far 0 98 0 - 6.6-6.9 H GLU 47 - QD1 LEU 70 far 0 99 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 5056 from cnoeabs.peaks (4.16, 0.91, 25.18 ppm; 3.99 A increased from 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 3.9-3.9 3.8=100 HA LEU 45 - QD1 LEU 70 far 0 84 0 - 8.7-9.5 Violated in 0 structures by 0.00 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 2.0-2.1 3.1=100 HB3 MET 42 + QD1 LEU 70 OK 88 96 95 97 2.4-3.4 1.8/11365=58...(12) HB2 LYS 39 - QD1 LEU 70 far 0 96 0 - 4.0-4.7 HB3 LYS 39 - QD1 LEU 70 far 0 98 0 - 4.3-5.6 HB2 GLU 41 - QD1 LEU 70 far 0 96 0 - 5.6-7.5 HB3 GLU 41 - QD1 LEU 70 far 0 97 0 - 6.4-7.5 HB2 LYS 65 - QD1 LEU 70 far 0 96 0 - 6.6-7.4 HB3 LYS 65 - QD1 LEU 70 far 0 94 0 - 7.4-8.2 HB3 LYS 40 - QD1 LEU 70 far 0 100 0 - 8.1-8.6 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 = 0.99: * HB3 LEU 70 + QD1 LEU 70 OK 99 100 100 99 2.6-2.7 3.1=93, 1461/1463=33...(10) HG LEU 68 - QD1 LEU 70 far 0 65 0 - 6.5-6.9 HG2 LYS 44 - QD1 LEU 70 far 0 87 0 - 8.4-9.5 HB VAL 78 - QD1 LEU 70 far 0 84 0 - 8.6-9.1 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 25 65 40 94 2.9-3.5 9430=36, 3.3/11368=35...(16) 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 3.6-3.9 1462/2.1=85, 1464/2.1=82...(9) H LYS 73 - QD2 LEU 70 far 0 98 0 - 5.2-5.6 H GLU 47 - QD2 LEU 70 far 0 99 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 5063 from cnoeabs.peaks (4.16, 0.90, 23.17 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.3-2.6 5033=96, 5031/2.1=48...(14) HA LEU 45 - QD2 LEU 70 far 0 84 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 5064 from cnoeabs.peaks (1.94, 0.90, 23.17 ppm; 3.35 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 3.1-3.2 3.1=100 HB3 MET 42 - QD2 LEU 70 far 10 96 10 - 3.4-4.0 HB2 LYS 39 - QD2 LEU 70 far 0 96 0 - 3.9-5.0 HB3 LYS 39 - QD2 LEU 70 far 0 98 0 - 4.8-6.3 HB2 GLU 41 - QD2 LEU 70 far 0 96 0 - 7.2-9.1 HB3 GLU 41 - QD2 LEU 70 far 0 97 0 - 8.0-9.0 HB2 LYS 65 - QD2 LEU 70 far 0 96 0 - 8.1-9.3 HB3 LYS 65 - QD2 LEU 70 far 0 94 0 - 8.8-10.1 HB3 LYS 40 - QD2 LEU 70 far 0 100 0 - 9.0-9.6 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 2.0-2.2 3.1=100 HG LEU 68 - QD2 LEU 70 far 0 65 0 - 8.4-8.9 HG2 LYS 44 - QD2 LEU 70 far 0 87 0 - 8.6-10.0 HB VAL 78 - QD2 LEU 70 far 0 84 0 - 9.7-10.1 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 far 0 65 0 - 4.1-5.0 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): 1 out of 6 assignments used, quality = 1.00: * HB ILE 71 + HA ILE 71 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 73 - HA ILE 71 far 0 100 0 - 4.8-6.8 HB2 LEU 45 - HA ILE 71 far 0 96 0 - 5.7-7.2 HG LEU 45 - HA ILE 71 far 0 81 0 - 6.4-8.1 HB3 LYS 73 - HA ILE 71 far 0 100 0 - 6.5-7.3 QE MET 67 - HA ILE 71 far 0 73 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 5072 from cnoeabs.peaks (0.82, 3.74, 64.24 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 71 + HA ILE 71 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 LEU 74 + HA ILE 71 OK 94 100 100 94 2.1-2.7 9819=44, 2.1/11347=30...(15) QD2 LEU 74 - HA ILE 71 far 0 100 0 - 4.5-4.8 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 6 assignments used, quality = 1.00: * HG12 ILE 71 + HA ILE 71 OK 100 100 100 100 2.6-2.7 3.9=100 HG LEU 74 + HA ILE 71 OK 90 92 100 98 3.4-4.0 2.1/9819=63...(14) HD3 LYS 73 - HA ILE 71 far 0 92 0 - 5.7-8.3 HD2 LYS 73 - HA ILE 71 far 0 94 0 - 6.4-8.5 HB ILE 56 - HA ILE 71 far 0 99 0 - 8.8-10.1 HB ILE 54 - HA ILE 71 far 0 87 0 - 9.2-10.1 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 2 assignments used, quality = 1.00: * HG13 ILE 71 + HA ILE 71 OK 100 100 100 100 2.8-2.9 3.9=100 HG3 LYS 2 - HA ILE 71 far 0 84 0 - 7.2-9.3 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 3 assignments used, quality = 1.00: * QD1 ILE 71 + HA ILE 71 OK 100 100 100 100 3.8-3.9 4.2=100 QD1 LEU 4 + HA ILE 71 OK 69 87 95 83 3.9-4.6 4617/4572=51...(6) QD1 ILE 56 - HA ILE 71 far 0 97 0 - 7.9-8.8 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 2.4-2.6 1467=100, 5083/2.1=69...(8) H LEU 80 - HB ILE 71 far 0 100 0 - 8.6-9.6 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 3.0-3.0 3.0=100 HA2 GLY 101 - HB ILE 71 far 0 77 0 - 9.4-11.0 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): 1 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 far 0 100 0 - 4.6-5.2 QD2 LEU 74 - HB ILE 71 far 0 100 0 - 7.0-7.3 QD1 LEU 64 - HB ILE 71 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 5080 from cnoeabs.peaks (1.69, 1.90, 37.90 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 71 + HB ILE 71 OK 100 100 100 100 2.6-2.7 3.0=100 HG LEU 74 - HB ILE 71 far 0 92 0 - 6.3-6.9 HD3 LYS 73 - HB ILE 71 far 0 92 0 - 7.0-9.4 HD2 LYS 73 - HB ILE 71 far 0 94 0 - 7.4-9.8 HB ILE 56 - HB ILE 71 far 0 99 0 - 8.1-9.4 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 3.0-3.0 3.0=100 HG12 ILE 97 - HB ILE 71 far 0 61 0 - 8.6-11.7 HG3 LYS 2 - HB ILE 71 far 0 84 0 - 8.9-11.4 QD1 LEU 127 - HB ILE 71 far 0 92 0 - 9.9-11.0 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 3 assignments used, quality = 1.00: * QD1 ILE 71 + HB ILE 71 OK 100 100 100 100 2.1-2.3 3.2=100 QD1 LEU 4 - HB ILE 71 far 0 87 0 - 4.5-5.4 QD1 ILE 56 - HB ILE 71 far 0 97 0 - 8.3-9.3 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 2 assignments used, quality = 1.00: * H ILE 71 + QG2 ILE 71 OK 100 100 100 100 3.8-3.8 4.0=96, 1467/2.1=83...(8) H LEU 80 - QG2 ILE 71 far 0 100 0 - 6.8-8.0 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 2.3-2.5 3.2=100 HA2 GLY 101 - QG2 ILE 71 far 0 77 0 - 8.0-9.6 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 7 assignments used, quality = 1.00: * HB ILE 71 + QG2 ILE 71 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 73 - QG2 ILE 71 far 0 100 0 - 6.0-7.3 HB2 LEU 45 - QG2 ILE 71 far 0 96 0 - 6.2-7.4 HG LEU 45 - QG2 ILE 71 far 0 81 0 - 6.5-8.1 QE MET 67 - QG2 ILE 71 far 0 73 0 - 6.9-7.3 HB3 LYS 73 - QG2 ILE 71 far 0 100 0 - 7.2-7.9 HB2 LYS 44 - QG2 ILE 71 far 0 77 0 - 9.4-11.8 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): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 71 + QG2 ILE 71 OK 100 100 100 100 3.1-3.2 3.2=100 HG LEU 74 - QG2 ILE 71 far 0 92 0 - 4.7-5.4 HD3 LYS 73 - QG2 ILE 71 far 0 92 0 - 6.7-8.8 HB ILE 56 - QG2 ILE 71 far 0 99 0 - 6.7-8.0 HD2 LYS 73 - QG2 ILE 71 far 0 94 0 - 6.8-8.8 HB ILE 54 - QG2 ILE 71 far 0 87 0 - 7.0-8.2 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 2.0-2.2 3.2=100 HG3 LYS 2 - QG2 ILE 71 far 0 84 0 - 5.5-7.7 QD1 LEU 127 - QG2 ILE 71 far 0 92 0 - 6.9-7.7 HG12 ILE 97 - QG2 ILE 71 far 0 61 0 - 8.7-11.2 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 = 0.97: * QD1 ILE 71 + QG2 ILE 71 OK 96 100 100 96 2.3-2.5 5107=80, 1471/5083=22...(21) QD1 LEU 4 + QG2 ILE 71 OK 20 87 35 66 2.3-3.5 4617/9798=23...(9) QD1 ILE 56 - QG2 ILE 71 far 0 97 0 - 6.6-7.7 QD1 ILE 54 - QG2 ILE 71 far 0 61 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 5090 from cnoeabs.peaks (8.60, 1.69, 28.69 ppm; 4.64 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 71 + HG12 ILE 71 OK 100 100 100 100 2.2-2.4 4.6=100 H LYS 94 - HD2 LYS 96 far 0 44 0 - 5.2-8.1 H LYS 94 - HD3 LYS 96 far 0 52 0 - 5.4-7.7 H ILE 71 - HD3 LYS 73 far 0 78 0 - 5.7-7.6 H ILE 71 - HD2 LYS 73 far 0 83 0 - 6.3-8.2 H LYS 49 - HD3 LYS 43 far 0 69 0 - 9.7-14.0 H LEU 80 - HG12 ILE 71 far 0 100 0 - 10.0-11.3 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 4 assignments used, quality = 1.00: * HA ILE 71 + HG12 ILE 71 OK 100 100 100 100 2.6-2.7 3.9=100 HA ILE 71 - HD3 LYS 73 far 0 78 0 - 5.7-8.3 HA ILE 71 - HD2 LYS 73 far 0 83 0 - 6.4-8.5 HA LYS 61 - HD3 LYS 96 far 0 38 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 5092 from cnoeabs.peaks (1.90, 1.69, 28.69 ppm; 2.70 A): 4 out of 40 assignments used, quality = 0.98: * HB ILE 71 + HG12 ILE 71 OK 91 100 100 91 2.6-2.7 3.0=71, 1467/1469=26...(7) HB3 LYS 73 + HD2 LYS 73 OK 54 82 70 94 2.1-3.1 3.8=34, 3.0/5129=19...(34) HB3 LYS 43 + HD3 LYS 43 OK 39 75 55 95 2.1-3.6 3.8=35, 3813/4.8=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 34 88 40 97 2.4-3.6 3.4=48, 3034/3038=23...(52) HB3 LYS 73 - HD3 LYS 73 poor 16 78 20 - 2.6-3.8 HB3 LYS 20 - HD3 LYS 20 far 4 85 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 3 64 5 - 2.8-4.2 HB2 ARG 95 - HD2 LYS 96 far 0 50 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 78 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 82 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 56 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 47 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 85 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 88 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 58 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 59 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 63 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 65 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 62 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 73 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 81 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 71 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 96 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 100 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 56 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 78 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 71 0 - 7.0-12.8 HB ILE 71 - HD2 LYS 73 far 0 83 0 - 7.4-9.8 HB2 LYS 44 - HD3 LYS 43 far 0 53 0 - 7.6-9.0 HB3 LYS 44 - HD3 LYS 43 far 0 67 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 49 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 75 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 100 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 56 0 - 8.6-13.7 HB ILE 15 - HD2 LYS 20 far 0 51 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 78 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 75 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 77 0 - 9.6-16.0 QE MET 67 - HD3 LYS 43 far 0 50 0 - 9.8-11.7 HB2 LYS 44 - HG12 ILE 71 far 0 77 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 5093 from cnoeabs.peaks (0.82, 1.69, 28.69 ppm; 3.81 A): 2 out of 20 assignments used, quality = 1.00: * QG2 ILE 71 + HG12 ILE 71 OK 100 100 100 100 3.1-3.2 3.2=100 QD1 LEU 74 + HG12 ILE 71 OK 51 100 70 73 3.3-4.1 9819/3.9=40, 5100/1.8=29...(8) QD2 LEU 74 - HD3 LYS 73 far 12 78 15 - 2.7-8.0 QD1 LEU 74 - HD3 LYS 73 far 4 78 5 - 3.9-7.6 QD2 LEU 74 - HD2 LYS 73 lone 2 82 25 9 3.5-7.5 5248/7673=7, ~5236=2 QD1 LEU 74 - HD2 LYS 73 far 0 83 0 - 5.0-7.5 QG1 VAL 29 - HD3 LYS 20 far 0 56 0 - 5.3-8.9 QG1 VAL 29 - HD2 LYS 20 far 0 58 0 - 5.6-9.7 QD1 LEU 114 - HD2 LYS 20 far 0 75 0 - 5.8-8.8 QD2 LEU 74 - HG12 ILE 71 far 0 100 0 - 6.0-6.4 QD2 LEU 74 - HD3 LYS 43 far 0 78 0 - 6.2-9.0 QD1 LEU 74 - HD3 LYS 43 far 0 78 0 - 6.7-9.6 QG2 ILE 71 - HD3 LYS 73 far 0 78 0 - 6.7-8.8 QG2 ILE 71 - HD2 LYS 73 far 0 83 0 - 6.8-8.8 QD1 LEU 114 - HD3 LYS 20 far 0 72 0 - 7.1-8.6 QD1 LEU 64 - HD3 LYS 96 far 0 57 0 - 7.4-11.3 QD2 LEU 82 - HD3 LYS 96 far 0 52 0 - 7.9-10.5 QD1 LEU 64 - HD2 LYS 96 far 0 49 0 - 8.3-10.4 QD1 LEU 64 - HG12 ILE 71 far 0 100 0 - 8.5-9.1 QD2 LEU 82 - HD2 LYS 96 far 0 44 0 - 8.8-9.3 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 9 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 - HD2 LYS 96 far 0 24 0 - 3.8-8.0 HG12 ILE 97 - HD3 LYS 96 far 0 29 0 - 4.0-8.8 HG13 ILE 71 - HD3 LYS 73 far 0 78 0 - 8.3-10.7 HG3 LYS 2 - HG12 ILE 71 far 0 84 0 - 8.3-10.6 HG2 LYS 61 - HD3 LYS 96 far 0 53 0 - 8.9-14.7 HG13 ILE 71 - HD2 LYS 73 far 0 83 0 - 9.2-11.1 HG3 LYS 2 - HD3 LYS 73 far 0 59 0 - 9.9-15.6 HG12 ILE 97 - HG12 ILE 71 far 0 61 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 5096 from cnoeabs.peaks (0.65, 1.69, 28.69 ppm; 3.74 A): 2 out of 12 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 OK 21 87 35 69 3.7-4.0 ~9777=28, 5103/1.8=28...(6) QG1 VAL 22 - HD3 LYS 20 far 0 59 0 - 6.4-8.2 QD2 LEU 114 - HD2 LYS 20 far 0 62 0 - 6.4-8.5 QG1 VAL 22 - HD2 LYS 20 far 0 62 0 - 6.5-7.8 QD1 ILE 56 - HG12 ILE 71 far 0 97 0 - 6.5-7.3 QD2 LEU 114 - HD3 LYS 20 far 0 59 0 - 7.4-8.3 QD1 LEU 4 - HD3 LYS 73 far 0 62 0 - 7.8-11.0 QD1 ILE 71 - HD3 LYS 73 far 0 78 0 - 7.8-9.4 QD1 ILE 71 - HD2 LYS 73 far 0 83 0 - 8.3-10.1 QD1 LEU 4 - HD2 LYS 73 far 0 65 0 - 8.8-11.0 QD1 LEU 4 - HD3 LYS 43 far 0 62 0 - 9.8-11.7 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 3.7-3.8 1470=100, 1469/1.8=95...(10) H LEU 80 - HG13 ILE 71 far 0 100 0 - 9.3-10.7 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 1 assignment used, quality = 1.00: * HA ILE 71 + HG13 ILE 71 OK 100 100 100 100 2.8-2.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 5099 from cnoeabs.peaks (1.90, 1.02, 28.69 ppm; 4.60 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 71 + HG13 ILE 71 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 45 - HG13 ILE 71 far 0 81 0 - 6.0-7.6 QE MET 67 - HG13 ILE 71 far 0 73 0 - 6.2-6.8 HB2 LEU 45 - HG13 ILE 71 far 0 96 0 - 6.3-7.3 HB2 LYS 73 - HG13 ILE 71 far 0 100 0 - 7.6-9.4 HB3 LYS 73 - HG13 ILE 71 far 0 100 0 - 9.3-10.1 HB2 LYS 44 - HG13 ILE 71 far 0 77 0 - 9.4-12.0 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 2.0-2.2 3.2=100 QD1 LEU 74 + HG13 ILE 71 OK 92 100 100 92 3.3-3.9 11530/11685=53...(10) QD2 LEU 74 - HG13 ILE 71 far 0 100 0 - 6.0-6.5 QD1 LEU 64 - HG13 ILE 71 far 0 100 0 - 8.8-9.6 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 6 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 0 92 0 - 5.8-6.4 HB ILE 56 - HG13 ILE 71 far 0 99 0 - 6.2-7.4 HB ILE 54 - HG13 ILE 71 far 0 87 0 - 7.2-8.1 HD3 LYS 73 - HG13 ILE 71 far 0 92 0 - 8.3-10.7 HD2 LYS 73 - HG13 ILE 71 far 0 94 0 - 9.2-11.1 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): 2 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 OK 60 87 100 69 2.3-2.8 ~9777=28, 10736/11685=27...(6) QD1 ILE 56 - HG13 ILE 71 far 0 97 0 - 6.1-7.1 QD1 ILE 54 - HG13 ILE 71 far 0 61 0 - 9.1-9.8 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 3.1-3.3 1471=100, 1469/2.1=85...(10) H LEU 80 - QD1 ILE 71 far 0 100 0 - 6.3-7.5 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 3.8-3.9 4.2=100 HA2 GLY 101 - QD1 ILE 71 far 0 77 0 - 9.0-10.4 HA LYS 61 - QD1 ILE 71 far 0 77 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 5106 from cnoeabs.peaks (1.90, 0.65, 14.72 ppm; 3.50 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 71 + QD1 ILE 71 OK 100 100 100 100 2.1-2.3 3.2=100 QE MET 67 - QD1 ILE 71 far 0 73 0 - 4.4-4.8 HG LEU 45 - QD1 ILE 71 far 0 81 0 - 6.7-7.7 HB2 LEU 45 - QD1 ILE 71 far 0 96 0 - 7.2-7.8 HB2 LYS 73 - QD1 ILE 71 far 0 100 0 - 7.4-8.4 HB ILE 7 - QD1 ILE 71 far 0 99 0 - 8.7-9.1 HB3 LYS 73 - QD1 ILE 71 far 0 100 0 - 8.8-9.3 HB2 LYS 44 - QD1 ILE 71 far 0 77 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 5107 from cnoeabs.peaks (0.82, 0.65, 14.72 ppm; 3.06 A): 1 out of 5 assignments used, quality = 0.98: * QG2 ILE 71 + QD1 ILE 71 OK 98 100 100 98 2.3-2.5 3.3=83, 5083/1471=26...(22) QD1 LEU 74 - QD1 ILE 71 far 0 100 0 - 4.4-4.8 QD1 LEU 64 - QD1 ILE 71 far 0 100 0 - 5.7-6.3 QD2 LEU 74 - QD1 ILE 71 far 0 100 0 - 6.5-7.0 QD2 LEU 82 - QD1 ILE 71 far 0 96 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 5108 from cnoeabs.peaks (1.69, 0.65, 14.72 ppm; 3.54 A): 1 out of 7 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 far 0 99 0 - 4.4-5.4 HG LEU 74 - QD1 ILE 71 far 0 92 0 - 6.5-7.0 HB ILE 54 - QD1 ILE 71 far 0 87 0 - 6.9-7.6 HD3 LYS 73 - QD1 ILE 71 far 0 92 0 - 7.8-9.4 HD2 LYS 73 - QD1 ILE 71 far 0 94 0 - 8.3-10.1 HG3 LYS 39 - QD1 ILE 71 far 0 99 0 - 9.7-11.5 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 HG12 ILE 97 - QD1 ILE 71 far 0 61 0 - 7.1-9.6 HG3 LYS 2 - QD1 ILE 71 far 0 84 0 - 7.4-9.5 QD1 LEU 127 - QD1 ILE 71 far 0 92 0 - 8.6-9.4 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 2.8-2.8 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 2.3-3.0 3.0=100 HB3 SER 72 + HA SER 72 OK 100 100 100 100 2.7-3.0 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 2.3-3.0 3.0=100 * HB3 SER 72 + HA SER 72 OK 100 100 100 100 2.7-3.0 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 5 assignments used, quality = 1.00: H SER 72 + HB3 SER 72 OK 93 100 100 93 2.2-2.2 4.0=70, 2122/8153=49...(4) * H SER 72 + HB2 SER 72 OK 89 100 100 89 2.9-3.5 4.0=70, 1475/1.8=46, 1915/4.6=32 H VAL 22 + HA VAL 22 OK 60 60 100 100 2.9-2.9 3.0=100 H GLY 26 - HA VAL 22 far 0 82 0 - 5.1-7.0 H ARG 118 - HA VAL 22 far 0 82 0 - 6.7-7.8 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 2 assignments used, quality = 1.00: * HA SER 72 + HB2 SER 72 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 72 + HB3 SER 72 OK 100 100 100 100 2.7-3.0 3.0=100 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 5 assignments used, quality = 1.00: * H SER 72 + HB3 SER 72 OK 93 100 100 93 2.2-2.2 4.0=70, 2122/8153=49...(4) H SER 72 + HB2 SER 72 OK 89 100 100 89 2.9-3.5 4.0=70, 1475/1.8=46, 1915/4.6=32 H VAL 22 + HA VAL 22 OK 60 60 100 100 2.9-2.9 3.0=100 H GLY 26 - HA VAL 22 far 0 82 0 - 5.1-7.0 H ARG 118 - HA VAL 22 far 0 82 0 - 6.7-7.8 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 2 assignments used, quality = 1.00: HA SER 72 + HB2 SER 72 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 72 + HB3 SER 72 OK 100 100 100 100 2.7-3.0 3.0=100 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 2.7-2.9 3.0=100 H LEU 70 - HA LYS 73 far 0 98 0 - 7.5-8.0 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 2.5-3.0 3.0=100 HB3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-2.4 3.0=100 HB ILE 71 - HA LYS 73 far 0 100 0 - 7.6-7.9 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 2.3-2.4 3.0=100 HB2 LYS 73 + HA LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HB ILE 71 - HA LYS 73 far 0 100 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 5127 from cnoeabs.peaks (1.60, 4.29, 57.48 ppm; 4.47 A increased from 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 73 + HA LYS 73 OK 100 100 100 100 2.6-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 5128 from cnoeabs.peaks (1.48, 4.29, 57.48 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.85: * HG3 LYS 73 + HA LYS 73 OK 85 100 85 100 2.7-3.9 3.8=95, 3.0/5184=56...(57) HB2 LEU 74 - HA LYS 73 far 0 87 0 - 5.5-6.0 Violated in 4 structures by 0.02 A. Peak 5129 from cnoeabs.peaks (1.68, 4.29, 57.48 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-3.7 5174=100, 3.0/5128=61...(57) HD3 LYS 73 + HA LYS 73 OK 25 100 25 100 2.8-4.9 1.8/5184=76, 3.0/5128=61...(80) HG LEU 74 - HA LYS 73 far 0 61 0 - 5.1-6.0 HG12 ILE 71 - HA LYS 73 far 0 94 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 5130 from cnoeabs.peaks (1.68, 4.29, 57.48 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: HD2 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-3.7 5184=100, 3.0/5128=61...(57) * HD3 LYS 73 + HA LYS 73 OK 25 100 25 100 2.8-4.9 1.8/5174=76, 3.0/5128=61...(80) HG12 ILE 71 - HA LYS 73 far 0 92 0 - 8.6-8.8 Violated in 0 structures by 0.00 A. Peak 5133 from cnoeabs.peaks (7.72, 1.90, 32.15 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.4-3.0 1478=100, 1480/2.9=57...(10) H LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.5-3.6 1478/1.8=80, 4.0=78...(10) H GLU 47 - HB3 LYS 43 far 0 67 0 - 4.8-5.2 H GLU 47 - HB3 LYS 44 far 0 64 0 - 5.0-5.3 H GLU 47 - HB2 LYS 43 far 0 47 0 - 5.6-6.0 H LEU 70 - HB2 LYS 73 far 0 98 0 - 6.0-6.7 H LEU 70 - HB3 LYS 73 far 0 98 0 - 7.2-7.9 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 4 assignments used, quality = 1.00: * HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.4 3.0=100 HA ASP 12 - HB3 LYS 16 far 0 34 0 - 5.9-7.4 HA GLN 100 - HB2 LYS 96 far 0 52 0 - 7.9-9.9 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): 2 out of 16 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-2.9 2.9=98, 1480/1478=29...(54) HG2 LYS 73 + HB3 LYS 73 OK 80 100 80 100 2.4-3.0 2.9=98, 1480/4.0=25...(19) HG2 LYS 44 - HB3 LYS 44 far 0 51 0 - 3.0-3.0 HG2 LYS 44 - HB2 LYS 43 far 0 37 0 - 3.3-5.7 HD2 LYS 19 - HB3 LYS 16 far 0 62 0 - 3.6-6.4 HD3 LYS 19 - HB3 LYS 16 far 0 62 0 - 3.8-5.9 HG2 LYS 44 - HB3 LYS 43 far 0 53 0 - 4.1-6.4 HG3 LYS 19 - HB3 LYS 16 far 0 62 0 - 4.8-6.2 HD3 LYS 19 - HB2 LYS 20 far 0 83 0 - 6.2-9.2 HG3 LYS 19 - HB2 LYS 20 far 0 84 0 - 6.6-7.8 HD3 LYS 19 - HB3 LYS 20 far 0 83 0 - 7.6-9.4 HD2 LYS 19 - HB2 LYS 20 far 0 83 0 - 7.6-9.2 HG3 LYS 19 - HB3 LYS 20 far 0 84 0 - 7.8-8.1 HD2 LYS 19 - HB3 LYS 20 far 0 83 0 - 7.9-9.4 HG LEU 68 - HB2 LYS 96 far 0 84 0 - 9.2-11.9 HG LEU 82 - HB2 LYS 96 far 0 93 0 - 9.3-10.2 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 16 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 95 100 95 100 2.2-2.9 2.9=93, 1.8/5137=35...(54) HG3 LYS 20 + HB2 LYS 20 OK 83 84 100 100 2.3-2.5 2.9=89, 1144/1141=29...(55) HG3 LYS 20 + HB3 LYS 20 OK 83 84 100 99 2.4-2.6 2.9=89, 3.8/3035=31...(29) HG3 LYS 73 + HB3 LYS 73 OK 25 100 25 100 2.4-3.0 2.9=93, 5128/3.0=30...(18) HB2 LEU 74 - HB2 LYS 73 far 0 87 0 - 4.7-6.1 HG3 LYS 20 - HB3 LYS 16 far 0 62 0 - 5.3-7.9 HB2 LEU 74 - HB3 LYS 73 far 0 87 0 - 6.1-6.4 HB3 LEU 45 - HB3 LYS 44 far 0 68 0 - 6.2-7.0 HG2 ARG 30 - HB3 LYS 44 far 0 39 0 - 7.2-9.5 HB3 LEU 45 - HB2 LYS 43 far 0 50 0 - 8.3-8.5 HB3 LEU 45 - HB2 LYS 73 far 0 96 0 - 8.3-11.9 HB3 LEU 45 - HB3 LYS 43 far 0 71 0 - 8.4-8.7 HG3 ARG 118 - HB2 LYS 20 far 0 81 0 - 8.6-13.3 HB3 LEU 38 - HB2 LYS 43 far 0 32 0 - 9.6-10.5 HG3 ARG 118 - HB3 LYS 20 far 0 81 0 - 9.6-14.5 HB3 LEU 45 - HB3 LYS 73 far 0 95 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5139 from cnoeabs.peaks (1.68, 1.90, 32.15 ppm; 2.60 A): 5 out of 52 assignments used, quality = 0.95: HD2 LYS 73 + HB3 LYS 73 OK 65 100 70 93 2.1-3.1 3.8=31, 5174/3.0=25...(33) HD2 LYS 44 + HB3 LYS 44 OK 46 48 100 97 2.1-2.6 3953=54, ~3954=17...(51) HD2 LYS 43 + HB3 LYS 43 OK 41 74 60 93 2.1-3.5 3.8=31, 4.8/3813=15...(48) HD3 LYS 43 + HB3 LYS 43 OK 40 78 55 92 2.1-3.6 3.8=31, 3817/3.0=16...(48) HD2 LYS 20 + HB3 LYS 20 OK 32 83 40 96 2.4-3.6 3.4=43, 3039/3035=22...(46) HD2 LYS 16 - HB3 LYS 16 far 9 62 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 5 100 5 - 2.6-3.8 HD3 LYS 20 - HB3 LYS 20 far 4 84 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 0 61 0 - 2.7-3.9 HD3 LYS 43 - HB2 LYS 43 far 0 56 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 42 0 - 2.8-3.7 HD2 LYS 43 - HB2 LYS 43 far 0 53 0 - 2.8-4.1 HG LEU 74 - HB2 LYS 73 far 0 61 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 84 0 - 3.3-8.2 ! HD2 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 93 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 91 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 84 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 83 0 - 3.6-4.2 HD3 LYS 20 - HB3 LYS 16 far 0 62 0 - 4.1-10.3 HD2 LYS 40 - HB2 LYS 43 far 0 56 0 - 4.2-7.2 HG LEU 74 - HB3 LYS 73 far 0 61 0 - 4.3-5.6 HD3 LYS 44 - HB2 LYS 43 far 0 30 0 - 4.6-7.8 HD3 LYS 40 - HB2 LYS 43 far 0 55 0 - 4.9-7.3 HD3 LYS 44 - HB3 LYS 43 far 0 44 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 35 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 77 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 50 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 39 0 - 5.4-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 62 0 - 5.4-10.4 HD2 LYS 16 - HB2 LYS 20 far 0 84 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 76 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 73 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 84 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 56 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 94 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 82 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 61 0 - 7.1-8.0 HB ILE 54 - HB3 LYS 44 far 0 74 0 - 7.2-9.2 HD2 LYS 40 - HB3 LYS 44 far 0 74 0 - 7.6-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 82 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 82 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 71 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 75 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 94 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 82 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 78 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 41 0 - 9.5-10.5 HG LEU 74 - HB2 LYS 43 far 0 28 0 - 9.8-10.7 HD2 LYS 43 - HB2 LYS 73 far 0 98 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 5140 from cnoeabs.peaks (1.68, 1.90, 32.15 ppm; 2.60 A): 5 out of 48 assignments used, quality = 0.95: HD2 LYS 73 + HB3 LYS 73 OK 65 100 70 93 2.1-3.1 3.8=31, 5184/3.0=25...(33) HD2 LYS 44 + HB3 LYS 44 OK 43 45 100 96 2.1-2.6 3953=50, ~3954=17...(51) HD2 LYS 43 + HB3 LYS 43 OK 42 75 60 93 2.1-3.5 3.8=31, 4.8/3813=15...(48) HD3 LYS 43 + HB3 LYS 43 OK 40 78 55 92 2.1-3.6 3.8=31, 3817/3.0=16...(48) HD2 LYS 20 + HB3 LYS 20 OK 31 82 40 96 2.4-3.6 3.4=43, 3039/3035=22...(46) HD2 LYS 16 - HB3 LYS 16 far 9 62 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 5 100 5 - 2.6-3.8 HD3 LYS 20 - HB3 LYS 20 far 4 83 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 0 60 0 - 2.7-3.9 HD3 LYS 43 - HB2 LYS 43 far 0 57 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 39 0 - 2.8-3.7 HD2 LYS 43 - HB2 LYS 43 far 0 54 0 - 2.8-4.1 ! HD3 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 86 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 93 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 92 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 83 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 82 0 - 3.6-4.2 HD3 LYS 20 - HB3 LYS 16 far 0 62 0 - 4.1-10.3 HD2 LYS 40 - HB2 LYS 43 far 0 56 0 - 4.2-7.2 HD3 LYS 44 - HB2 LYS 43 far 0 28 0 - 4.6-7.8 HD3 LYS 40 - HB2 LYS 43 far 0 56 0 - 4.9-7.3 HD3 LYS 44 - HB3 LYS 43 far 0 41 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 32 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 78 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 47 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 37 0 - 5.4-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 61 0 - 5.4-10.4 HD2 LYS 16 - HB2 LYS 20 far 0 84 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 77 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 74 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 84 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 53 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 92 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 81 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 62 0 - 7.1-8.0 HB ILE 54 - HB3 LYS 44 far 0 75 0 - 7.2-9.2 HD2 LYS 40 - HB3 LYS 44 far 0 75 0 - 7.6-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 81 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 83 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 72 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 75 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 92 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 83 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 78 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 99 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 5141 from cnoeabs.peaks (2.98, 1.90, 32.15 ppm; 4.22 A): 9 out of 40 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 74 99 75 100 2.1-4.6 5198/2.9=87, 4.9=64...(29) HE2 LYS 73 + HB3 LYS 73 OK 65 100 65 100 2.0-4.7 4.9=64, ~5198=56...(33) HE3 LYS 43 + HB3 LYS 43 OK 51 73 70 100 2.0-4.6 4.7=74, 3884/3.0=35...(35) HE3 LYS 20 + HB3 LYS 20 OK 41 48 85 100 2.0-4.6 4.8=67, ~3081=27...(57) * HE2 LYS 73 + HB2 LYS 73 OK 40 100 40 100 3.5-5.5 4.9=64, ~5198=56...(72) HE2 LYS 43 + HB3 LYS 43 OK 35 78 45 100 2.2-4.6 4.7=74, 3884/3.0=35...(37) HE3 LYS 73 + HB2 LYS 73 OK 35 99 35 100 3.4-5.3 5198/2.9=87, 4.9=64...(68) HE2 LYS 20 + HB3 LYS 20 OK 29 48 60 100 2.0-4.9 4.8=67, 6.6/3034=25...(56) HE2 LYS 20 + HB2 LYS 20 OK 27 48 55 100 3.6-5.5 4.8=67, ~3069=22...(89) HE3 LYS 20 - HB2 LYS 20 poor 17 48 35 - 3.6-5.0 HE3 LYS 43 - HB2 LYS 43 poor 16 52 30 - 3.2-4.9 HE2 LYS 43 - HB2 LYS 43 poor 14 56 25 - 3.4-5.5 HE2 LYS 40 - HB2 LYS 43 far 4 39 10 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 3 35 10 - 3.9-8.4 HE3 LYS 20 - HB3 LYS 16 far 2 34 5 - 4.2-9.9 HE2 LYS 20 - HB3 LYS 16 far 2 34 5 - 4.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 0 56 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 58 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 50 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 58 0 - 5.6-8.5 HE3 LYS 39 - HB2 LYS 43 far 0 56 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 56 0 - 5.8-10.6 HB3 ASN 24 - HB3 LYS 20 far 0 58 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 78 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 58 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 77 0 - 6.6-11.7 HE2 LYS 40 - HB3 LYS 44 far 0 54 0 - 7.1-11.7 HE3 LYS 40 - HB3 LYS 44 far 0 48 0 - 7.5-11.6 HE3 LYS 43 - HB2 LYS 73 far 0 97 0 - 7.7-13.4 HD3 ARG 118 - HB2 LYS 20 far 0 70 0 - 8.1-13.3 HE3 LYS 43 - HB3 LYS 44 far 0 69 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 75 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 97 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 78 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 70 0 - 9.3-14.6 HE2 LYS 73 - HB2 LYS 43 far 0 57 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 75 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 54 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 5142 from cnoeabs.peaks (2.98, 1.90, 32.15 ppm; 4.36 A increased from 3.87 A): 12 out of 40 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 95 100 95 100 2.1-4.6 5198/2.9=88, 4.9=71...(29) HE2 LYS 73 + HB3 LYS 73 OK 74 99 75 100 2.0-4.7 4.9=71, ~5198=59...(33) HE3 LYS 43 + HB3 LYS 43 OK 70 78 90 100 2.0-4.6 4.7=81, 3849/3.0=36...(35) HE3 LYS 20 + HB3 LYS 20 OK 58 64 90 100 2.0-4.6 4.8=73, ~3081=28...(57) * HE3 LYS 73 + HB2 LYS 73 OK 45 100 45 100 3.4-5.3 5198/2.9=88, 4.9=71...(68) HE2 LYS 73 + HB2 LYS 73 OK 44 99 45 100 3.5-5.5 4.9=71, ~5198=59...(72) HE2 LYS 43 + HB3 LYS 43 OK 39 77 50 100 2.2-4.6 4.7=81, 3884/3.0=37...(37) HE2 LYS 20 + HB3 LYS 20 OK 39 64 60 100 2.0-4.9 4.8=73, 3081/2.9=29...(56) HE2 LYS 20 + HB2 LYS 20 OK 35 64 55 100 3.6-5.5 4.8=73, 3081/2.9=29...(89) HE3 LYS 43 + HB2 LYS 43 OK 28 56 50 100 3.2-4.9 4.7=81, 3849/3.0=36...(78) HE3 LYS 20 + HB2 LYS 20 OK 23 64 35 100 3.6-5.0 4.8=73, ~3081=28...(89) HE2 LYS 43 + HB2 LYS 43 OK 22 56 40 100 3.4-5.5 4.7=81, 3884/3.0=37...(77) HE2 LYS 40 - HB2 LYS 43 far 5 49 10 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 5 45 10 - 3.9-8.4 HE3 LYS 20 - HB3 LYS 16 far 2 46 5 - 4.2-9.9 HE2 LYS 20 - HB3 LYS 16 far 2 46 5 - 4.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 0 69 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 72 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 64 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 72 0 - 5.6-8.5 HE3 LYS 39 - HB2 LYS 43 far 0 55 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 56 0 - 5.8-10.6 HB3 ASN 24 - HB3 LYS 20 far 0 72 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 76 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 72 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 78 0 - 6.6-11.7 HE2 LYS 40 - HB3 LYS 44 far 0 66 0 - 7.1-11.7 HE3 LYS 40 - HB3 LYS 44 far 0 61 0 - 7.5-11.6 HE3 LYS 43 - HB2 LYS 73 far 0 100 0 - 7.7-13.4 HD3 ARG 118 - HB2 LYS 20 far 0 80 0 - 8.1-13.3 HE3 LYS 43 - HB3 LYS 44 far 0 75 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 74 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 100 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 75 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 80 0 - 9.3-14.6 HE2 LYS 73 - HB2 LYS 43 far 0 54 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 78 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 57 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 5143 from cnoeabs.peaks (7.72, 1.89, 32.15 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: H LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.4-3.0 1479=100, 1480/2.9=57...(10) * H LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.5-3.6 1478/1.8=80, 4.0=78...(10) H GLU 47 - HB3 LYS 43 far 0 64 0 - 4.8-5.2 H GLU 47 - HB3 LYS 44 far 0 59 0 - 5.0-5.3 H GLU 47 - HB2 LYS 43 far 0 43 0 - 5.6-6.0 H LEU 70 - HB2 LYS 73 far 0 98 0 - 6.0-6.7 H LEU 70 - HB3 LYS 73 far 0 98 0 - 7.2-7.9 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 5 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.4 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASP 12 - HB2 LYS 16 far 0 34 0 - 5.7-7.9 HA ASP 12 - HB3 LYS 16 far 0 37 0 - 5.9-7.4 HA GLN 100 - HB2 LYS 96 far 0 50 0 - 7.9-9.9 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): 2 out of 19 assignments used, quality = 1.00: HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-2.9 2.9=98, 1480/1479=29...(54) * HG2 LYS 73 + HB3 LYS 73 OK 80 100 80 100 2.4-3.0 2.9=98, 1480/4.0=25...(19) HG2 LYS 44 - HB3 LYS 44 far 0 47 0 - 3.0-3.0 HG2 LYS 44 - HB2 LYS 43 far 0 34 0 - 3.3-5.7 HD2 LYS 19 - HB3 LYS 16 far 0 67 0 - 3.6-6.4 HD2 LYS 19 - HB2 LYS 16 far 0 62 0 - 3.7-6.9 HD3 LYS 19 - HB3 LYS 16 far 0 67 0 - 3.8-5.9 HG2 LYS 44 - HB3 LYS 43 far 0 51 0 - 4.1-6.4 HD3 LYS 19 - HB2 LYS 16 far 0 62 0 - 4.5-6.3 HG3 LYS 19 - HB3 LYS 16 far 0 68 0 - 4.8-6.2 HG3 LYS 19 - HB2 LYS 16 far 0 62 0 - 5.4-6.6 HD3 LYS 19 - HB2 LYS 20 far 0 85 0 - 6.2-9.2 HG3 LYS 19 - HB2 LYS 20 far 0 86 0 - 6.6-7.8 HD3 LYS 19 - HB3 LYS 20 far 0 85 0 - 7.6-9.4 HD2 LYS 19 - HB2 LYS 20 far 0 85 0 - 7.6-9.2 HG3 LYS 19 - HB3 LYS 20 far 0 86 0 - 7.8-8.1 HD2 LYS 19 - HB3 LYS 20 far 0 85 0 - 7.9-9.4 HG LEU 68 - HB2 LYS 96 far 0 81 0 - 9.2-11.9 HG LEU 82 - HB2 LYS 96 far 0 90 0 - 9.3-10.2 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 17 assignments used, quality = 1.00: HG3 LYS 73 + HB2 LYS 73 OK 95 100 95 100 2.2-2.9 2.9=93, 1.8/5147=35...(54) HG3 LYS 20 + HB2 LYS 20 OK 85 86 100 100 2.3-2.5 2.9=89, 1144/1141=29...(55) HG3 LYS 20 + HB3 LYS 20 OK 85 86 100 99 2.4-2.6 2.9=89, 3.8/3035=31...(29) * HG3 LYS 73 + HB3 LYS 73 OK 25 100 25 100 2.4-3.0 2.9=93, 5128/3.0=30...(18) HB2 LEU 74 - HB2 LYS 73 far 0 87 0 - 4.7-6.1 HG3 LYS 20 - HB2 LYS 16 far 0 62 0 - 5.2-7.0 HG3 LYS 20 - HB3 LYS 16 far 0 68 0 - 5.3-7.9 HB2 LEU 74 - HB3 LYS 73 far 0 87 0 - 6.1-6.4 HB3 LEU 45 - HB3 LYS 44 far 0 63 0 - 6.2-7.0 HG2 ARG 30 - HB3 LYS 44 far 0 36 0 - 7.2-9.5 HB3 LEU 45 - HB2 LYS 43 far 0 46 0 - 8.3-8.5 HB3 LEU 45 - HB2 LYS 73 far 0 95 0 - 8.3-11.9 HB3 LEU 45 - HB3 LYS 43 far 0 68 0 - 8.4-8.7 HG3 ARG 118 - HB2 LYS 20 far 0 83 0 - 8.6-13.3 HB3 LEU 38 - HB2 LYS 43 far 0 30 0 - 9.6-10.5 HG3 ARG 118 - HB3 LYS 20 far 0 83 0 - 9.6-14.5 HB3 LEU 45 - HB3 LYS 73 far 0 96 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5149 from cnoeabs.peaks (1.68, 1.89, 32.15 ppm; 2.60 A): 6 out of 57 assignments used, quality = 0.98: * HD2 LYS 73 + HB3 LYS 73 OK 65 100 70 93 2.1-3.1 3.8=31, 5174/3.0=25...(33) HD2 LYS 16 + HB2 LYS 16 OK 50 62 85 95 2.1-3.7 3.6=37, 2782/1.8=23...(39) HD2 LYS 44 + HB3 LYS 44 OK 43 44 100 96 2.1-2.6 3953=51, ~3954=17...(51) HD2 LYS 43 + HB3 LYS 43 OK 40 71 60 93 2.1-3.5 3.8=31, 4.8/3813=15...(48) HD3 LYS 43 + HB3 LYS 43 OK 38 75 55 92 2.1-3.6 3.8=31, 3817/3.0=16...(48) HD2 LYS 20 + HB3 LYS 20 OK 33 85 40 96 2.4-3.6 3.4=43, 3039/3034=22...(46) HD2 LYS 16 - HB3 LYS 16 far 10 68 15 - 2.3-3.0 HD3 LYS 73 - HB3 LYS 73 far 5 100 5 - 2.6-3.8 HD3 LYS 20 - HB3 LYS 20 far 4 86 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 0 66 0 - 2.7-3.9 HD3 LYS 43 - HB2 LYS 43 far 0 52 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 39 0 - 2.8-3.7 HD2 LYS 43 - HB2 LYS 43 far 0 49 0 - 2.8-4.1 HD3 LYS 16 - HB2 LYS 16 far 0 61 0 - 2.8-4.2 HG LEU 74 - HB2 LYS 73 far 0 61 0 - 2.9-5.9 HD3 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 81 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 90 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 89 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 86 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 85 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 62 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 68 0 - 4.1-10.3 HD2 LYS 40 - HB2 LYS 43 far 0 51 0 - 4.2-7.2 HG LEU 74 - HB3 LYS 73 far 0 61 0 - 4.3-5.6 HD3 LYS 44 - HB2 LYS 43 far 0 28 0 - 4.6-7.8 HD3 LYS 40 - HB2 LYS 43 far 0 51 0 - 4.9-7.3 HD3 LYS 44 - HB3 LYS 43 far 0 42 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 32 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 75 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 48 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 36 0 - 5.4-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 67 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 62 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 86 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 74 0 - 6.1-8.7 HD2 LYS 17 - HB2 LYS 16 far 0 61 0 - 6.3-7.6 HD3 LYS 40 - HB3 LYS 44 far 0 68 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 86 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 54 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 94 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 84 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 66 0 - 7.1-8.0 HB ILE 54 - HB3 LYS 44 far 0 69 0 - 7.2-9.2 HD2 LYS 40 - HB3 LYS 44 far 0 69 0 - 7.6-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 84 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 84 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 66 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 70 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 94 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 84 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 75 0 - 9.4-15.5 HG LEU 74 - HB3 LYS 43 far 0 39 0 - 9.5-10.5 HG LEU 74 - HB2 LYS 43 far 0 26 0 - 9.8-10.7 HD2 LYS 43 - HB2 LYS 73 far 0 98 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 5150 from cnoeabs.peaks (1.68, 1.89, 32.15 ppm; 2.60 A): 6 out of 53 assignments used, quality = 0.97: HD2 LYS 73 + HB3 LYS 73 OK 65 100 70 93 2.1-3.1 3.8=31, 5184/3.0=25...(33) HD2 LYS 16 + HB2 LYS 16 OK 50 62 85 95 2.1-3.7 3.6=37, 2782/1.8=23...(39) HD2 LYS 43 + HB3 LYS 43 OK 41 73 60 93 2.1-3.5 3.8=31, 4.8/3813=15...(48) HD2 LYS 44 + HB3 LYS 44 OK 40 41 100 96 2.1-2.6 3953=48, ~3954=17...(51) HD3 LYS 43 + HB3 LYS 43 OK 38 76 55 92 2.1-3.6 3.8=31, 3817/3.0=16...(48) HD2 LYS 20 + HB3 LYS 20 OK 32 84 40 96 2.4-3.6 3.4=43, 3039/3034=22...(46) HD2 LYS 16 - HB3 LYS 16 far 10 68 15 - 2.3-3.0 ! HD3 LYS 73 - HB3 LYS 73 far 5 100 5 - 2.6-3.8 HD3 LYS 20 - HB3 LYS 20 far 4 85 5 - 2.4-3.8 HD3 LYS 16 - HB3 LYS 16 far 0 65 0 - 2.7-3.9 HD3 LYS 43 - HB2 LYS 43 far 0 52 0 - 2.8-4.2 HD3 LYS 44 - HB3 LYS 44 far 0 36 0 - 2.8-3.7 HD2 LYS 43 - HB2 LYS 43 far 0 50 0 - 2.8-4.1 HD3 LYS 16 - HB2 LYS 16 far 0 60 0 - 2.8-4.2 HD3 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 83 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 100 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 90 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 89 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 85 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 84 0 - 3.6-4.2 HD3 LYS 20 - HB2 LYS 16 far 0 62 0 - 4.0-9.0 HD3 LYS 20 - HB3 LYS 16 far 0 67 0 - 4.1-10.3 HD2 LYS 40 - HB2 LYS 43 far 0 52 0 - 4.2-7.2 HD3 LYS 44 - HB2 LYS 43 far 0 26 0 - 4.6-7.8 HD3 LYS 40 - HB2 LYS 43 far 0 51 0 - 4.9-7.3 HD3 LYS 44 - HB3 LYS 43 far 0 39 0 - 5.1-8.3 HD2 LYS 44 - HB2 LYS 43 far 0 30 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 75 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 45 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 34 0 - 5.4-8.4 HD2 LYS 20 - HB3 LYS 16 far 0 66 0 - 5.4-10.4 HD2 LYS 20 - HB2 LYS 16 far 0 61 0 - 5.4-8.9 HD2 LYS 16 - HB2 LYS 20 far 0 86 0 - 5.8-10.0 HD3 LYS 40 - HB3 LYS 43 far 0 75 0 - 6.1-8.7 HD2 LYS 17 - HB2 LYS 16 far 0 62 0 - 6.3-7.6 HD3 LYS 40 - HB3 LYS 44 far 0 69 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 86 0 - 6.5-10.7 HG3 LYS 39 - HB3 LYS 43 far 0 51 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 92 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 83 0 - 6.9-10.5 HD2 LYS 17 - HB3 LYS 16 far 0 67 0 - 7.1-8.0 HB ILE 54 - HB3 LYS 44 far 0 70 0 - 7.2-9.2 HD2 LYS 40 - HB3 LYS 44 far 0 70 0 - 7.6-9.9 HD3 LYS 16 - HB3 LYS 20 far 0 83 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 85 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 67 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 70 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 92 0 - 8.5-9.2 HD2 LYS 17 - HB3 LYS 20 far 0 85 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 100 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 76 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 99 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 5151 from cnoeabs.peaks (2.98, 1.89, 32.15 ppm; 4.22 A): 9 out of 42 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 74 99 75 100 2.1-4.6 5198/2.9=87, 4.9=64...(29) * HE2 LYS 73 + HB3 LYS 73 OK 65 100 65 100 2.0-4.7 4.9=64, ~5198=56...(33) HE3 LYS 43 + HB3 LYS 43 OK 49 70 70 100 2.0-4.6 4.7=74, 3884/3.0=35...(35) HE3 LYS 20 + HB3 LYS 20 OK 42 50 85 100 2.0-4.6 4.8=67, ~3081=27...(57) HE2 LYS 73 + HB2 LYS 73 OK 40 100 40 100 3.5-5.5 4.9=64, ~5198=56...(72) HE3 LYS 73 + HB2 LYS 73 OK 35 99 35 100 3.4-5.3 5198/2.9=87, 4.9=64...(68) HE2 LYS 43 + HB3 LYS 43 OK 34 75 45 100 2.2-4.6 4.7=74, 3884/3.0=35...(37) HE2 LYS 20 + HB3 LYS 20 OK 30 50 60 100 2.0-4.9 4.8=67, 6.6/3035=26...(56) HE2 LYS 20 + HB2 LYS 20 OK 27 50 55 100 3.6-5.5 4.8=67, ~3069=22...(89) HE3 LYS 20 - HB2 LYS 20 poor 17 50 35 - 3.6-5.0 HE3 LYS 43 - HB2 LYS 43 poor 14 48 30 - 3.2-4.9 HE2 LYS 43 - HB2 LYS 43 poor 13 52 25 - 3.4-5.5 HE2 LYS 20 - HB2 LYS 16 poor 10 34 30 - 3.4-8.7 HE3 LYS 20 - HB2 LYS 16 poor 7 34 20 - 3.2-8.4 HE2 LYS 40 - HB2 LYS 43 far 4 36 10 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 3 32 10 - 3.9-8.4 HE3 LYS 20 - HB3 LYS 16 far 2 37 5 - 4.2-9.9 HE2 LYS 20 - HB3 LYS 16 far 2 37 5 - 4.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 0 54 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 60 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 48 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 60 0 - 5.6-8.5 HE3 LYS 39 - HB2 LYS 43 far 0 52 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 51 0 - 5.8-10.6 HB3 ASN 24 - HB3 LYS 20 far 0 60 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 75 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 60 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 75 0 - 6.6-11.7 HE2 LYS 40 - HB3 LYS 44 far 0 50 0 - 7.1-11.7 HE3 LYS 40 - HB3 LYS 44 far 0 44 0 - 7.5-11.6 HE3 LYS 43 - HB2 LYS 73 far 0 97 0 - 7.7-13.4 HD3 ARG 118 - HB2 LYS 20 far 0 72 0 - 8.1-13.3 HE3 LYS 43 - HB3 LYS 44 far 0 65 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 70 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 97 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 76 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 72 0 - 9.3-14.6 HE2 LYS 73 - HB2 LYS 43 far 0 52 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 73 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 50 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 5152 from cnoeabs.peaks (2.98, 1.89, 32.15 ppm; 4.36 A increased from 3.87 A): 12 out of 42 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 95 100 95 100 2.1-4.6 5198/2.9=88, 4.9=71...(29) HE2 LYS 73 + HB3 LYS 73 OK 74 99 75 100 2.0-4.7 4.9=71, ~5198=59...(33) HE3 LYS 43 + HB3 LYS 43 OK 68 75 90 100 2.0-4.6 4.7=81, 3849/3.0=36...(35) HE3 LYS 20 + HB3 LYS 20 OK 59 66 90 100 2.0-4.6 4.8=73, ~3081=28...(57) HE3 LYS 73 + HB2 LYS 73 OK 45 100 45 100 3.4-5.3 5198/2.9=88, 4.9=71...(68) HE2 LYS 73 + HB2 LYS 73 OK 44 99 45 100 3.5-5.5 4.9=71, ~5198=59...(72) HE2 LYS 20 + HB3 LYS 20 OK 40 66 60 100 2.0-4.9 4.8=73, 3081/2.9=29...(56) HE2 LYS 43 + HB3 LYS 43 OK 37 75 50 100 2.2-4.6 4.7=81, 3884/3.0=37...(37) HE2 LYS 20 + HB2 LYS 20 OK 36 66 55 100 3.6-5.5 4.8=73, 3081/2.9=29...(89) HE3 LYS 43 + HB2 LYS 43 OK 26 52 50 100 3.2-4.9 4.7=81, 3849/3.0=36...(78) HE3 LYS 20 + HB2 LYS 20 OK 23 66 35 100 3.6-5.0 4.8=73, ~3081=28...(89) HE2 LYS 43 + HB2 LYS 43 OK 21 51 40 100 3.4-5.5 4.7=81, 3884/3.0=37...(77) HE2 LYS 20 - HB2 LYS 16 poor 14 46 30 - 3.4-8.7 HE3 LYS 20 - HB2 LYS 16 poor 9 46 20 - 3.2-8.4 HE2 LYS 40 - HB2 LYS 43 far 4 45 10 - 3.6-7.6 HE3 LYS 40 - HB2 LYS 43 far 4 41 10 - 3.9-8.4 HE3 LYS 20 - HB3 LYS 16 far 3 50 5 - 4.2-9.9 HE2 LYS 20 - HB3 LYS 16 far 3 50 5 - 4.3-9.9 HE2 LYS 40 - HB3 LYS 43 far 0 66 0 - 4.6-9.0 HB2 ASN 24 - HB3 LYS 20 far 0 74 0 - 4.9-8.4 HE3 LYS 40 - HB3 LYS 43 far 0 62 0 - 5.0-9.7 HB2 ASN 24 - HB2 LYS 20 far 0 74 0 - 5.6-8.5 HE3 LYS 39 - HB2 LYS 43 far 0 51 0 - 5.7-9.9 HE2 LYS 39 - HB2 LYS 43 far 0 52 0 - 5.8-10.6 HB3 ASN 24 - HB3 LYS 20 far 0 74 0 - 6.1-10.0 HE3 LYS 39 - HB3 LYS 43 far 0 74 0 - 6.2-10.7 HB3 ASN 24 - HB2 LYS 20 far 0 74 0 - 6.5-10.2 HE2 LYS 39 - HB3 LYS 43 far 0 75 0 - 6.6-11.7 HE2 LYS 40 - HB3 LYS 44 far 0 61 0 - 7.1-11.7 HE3 LYS 40 - HB3 LYS 44 far 0 57 0 - 7.5-11.6 HE3 LYS 43 - HB2 LYS 73 far 0 100 0 - 7.7-13.4 HD3 ARG 118 - HB2 LYS 20 far 0 82 0 - 8.1-13.3 HE3 LYS 43 - HB3 LYS 44 far 0 70 0 - 8.2-10.7 HE2 LYS 43 - HB3 LYS 44 far 0 69 0 - 8.2-10.9 HE2 LYS 43 - HB2 LYS 73 far 0 100 0 - 8.3-13.8 HE3 LYS 43 - HB3 LYS 73 far 0 100 0 - 8.4-14.0 HE2 LYS 73 - HB3 LYS 43 far 0 73 0 - 8.9-15.9 HE2 LYS 43 - HB3 LYS 73 far 0 100 0 - 9.0-13.7 HD3 ARG 118 - HB3 LYS 20 far 0 82 0 - 9.3-14.6 HE2 LYS 73 - HB2 LYS 43 far 0 50 0 - 9.4-15.9 HE3 LYS 73 - HB3 LYS 43 far 0 76 0 - 9.5-16.7 HE3 LYS 73 - HB2 LYS 43 far 0 52 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 5153 from cnoeabs.peaks (7.72, 1.60, 24.91 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 1.8-3.4 1480=100, 1481/1.8=78...(15) H LEU 70 - HG2 LYS 73 far 0 98 0 - 4.7-6.2 H GLU 47 - HG2 LYS 44 far 0 48 0 - 5.1-5.9 Violated in 0 structures by 0.00 A. Peak 5154 from cnoeabs.peaks (4.29, 1.60, 24.91 ppm; 4.28 A increased from 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.6-4.2 3.8=100 HA GLN 100 - HG2 LYS 73 far 0 61 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 5155 from cnoeabs.peaks (1.90, 1.60, 24.91 ppm; 3.04 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 46 46 100 100 3.0-3.0 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 35 35 100 100 2.6-2.7 2.9=100 HG LEU 45 - HG2 LYS 44 far 2 42 5 - 2.7-5.8 HB2 LYS 43 - HG2 LYS 44 far 0 44 0 - 3.3-5.7 HB3 LYS 43 - HG2 LYS 44 far 0 54 0 - 4.1-6.4 HB2 LEU 45 - HG2 LYS 44 far 0 49 0 - 4.5-7.2 HB2 LYS 49 - HG2 LYS 44 far 0 56 0 - 5.7-13.9 HB ILE 71 - HG2 LYS 73 far 0 100 0 - 6.1-8.1 QE MET 67 - HG2 LYS 44 far 0 37 0 - 8.1-10.1 HB2 LEU 45 - HG2 LYS 73 far 0 94 0 - 9.0-11.3 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 12 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 44 44 100 100 3.0-3.0 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 33 33 100 100 2.6-2.7 2.9=100 HG LEU 45 - HG2 LYS 44 far 2 44 5 - 2.7-5.8 HB2 LYS 43 - HG2 LYS 44 far 0 42 0 - 3.3-5.7 HB3 LYS 43 - HG2 LYS 44 far 0 52 0 - 4.1-6.4 HB2 LEU 45 - HG2 LYS 44 far 0 48 0 - 4.5-7.2 HB2 LYS 49 - HG2 LYS 44 far 0 55 0 - 5.7-13.9 HB ILE 71 - HG2 LYS 73 far 0 100 0 - 6.1-8.1 QE MET 67 - HG2 LYS 44 far 0 39 0 - 8.1-10.1 HB2 LEU 45 - HG2 LYS 73 far 0 92 0 - 9.0-11.3 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 4 assignments used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 45 - HG2 LYS 44 far 0 51 0 - 4.6-8.0 HB2 LEU 74 - HG2 LYS 73 far 0 87 0 - 5.5-7.0 HG2 ARG 30 - HG2 LYS 44 far 0 28 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 5159 from cnoeabs.peaks (1.68, 1.60, 24.91 ppm; 2.41 A): 2 out of 15 assignments used, quality = 0.52: HD3 LYS 73 + HG2 LYS 73 OK 34 100 35 98 2.3-3.0 3.0=54, 5169/1.8=38...(58) HD3 LYS 44 + HG2 LYS 44 OK 27 31 90 97 2.3-3.0 2.9=55, ~3953=13...(50) HD2 LYS 44 - HG2 LYS 44 far 2 35 5 - 2.5-3.0 ! HD2 LYS 73 - HG2 LYS 73 far 0 100 0 - 2.5-3.0 HD3 LYS 40 - HG2 LYS 44 far 0 56 0 - 3.8-9.1 HG LEU 74 - HG2 LYS 73 far 0 61 0 - 4.0-5.9 HD2 LYS 40 - HG2 LYS 44 far 0 56 0 - 4.7-8.8 HD3 LYS 43 - HG2 LYS 44 far 0 57 0 - 5.8-8.2 HD2 LYS 43 - HG2 LYS 44 far 0 54 0 - 6.0-8.4 HG12 ILE 71 - HG2 LYS 73 far 0 94 0 - 6.3-8.3 HB ILE 54 - HG2 LYS 44 far 0 56 0 - 6.4-10.9 HG3 LYS 39 - HG2 LYS 44 far 0 39 0 - 7.8-11.2 HD3 LYS 43 - HG2 LYS 73 far 0 100 0 - 8.5-13.0 HD2 LYS 43 - HG2 LYS 73 far 0 98 0 - 9.0-14.2 HG LEU 74 - HG2 LYS 44 far 0 28 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 5160 from cnoeabs.peaks (1.68, 1.60, 24.91 ppm; 2.41 A): 2 out of 13 assignments used, quality = 0.50: * HD3 LYS 73 + HG2 LYS 73 OK 34 100 35 98 2.3-3.0 3.0=54, 5170/1.8=38...(58) HD3 LYS 44 + HG2 LYS 44 OK 25 28 90 97 2.3-3.0 2.9=55, ~3953=13...(50) HD2 LYS 44 - HG2 LYS 44 far 2 33 5 - 2.5-3.0 HD2 LYS 73 - HG2 LYS 73 far 0 100 0 - 2.5-3.0 HD3 LYS 40 - HG2 LYS 44 far 0 56 0 - 3.8-9.1 HD2 LYS 40 - HG2 LYS 44 far 0 57 0 - 4.7-8.8 HD3 LYS 43 - HG2 LYS 44 far 0 57 0 - 5.8-8.2 HD2 LYS 43 - HG2 LYS 44 far 0 55 0 - 6.0-8.4 HG12 ILE 71 - HG2 LYS 73 far 0 92 0 - 6.3-8.3 HB ILE 54 - HG2 LYS 44 far 0 57 0 - 6.4-10.9 HG3 LYS 39 - HG2 LYS 44 far 0 37 0 - 7.8-11.2 HD3 LYS 43 - HG2 LYS 73 far 0 100 0 - 8.5-13.0 HD2 LYS 43 - HG2 LYS 73 far 0 99 0 - 9.0-14.2 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 11 assignments used, quality = 1.00: HE3 LYS 73 + HG2 LYS 73 OK 99 99 100 100 2.1-3.7 3.8=95, 5198/1.8=93...(89) * HE2 LYS 73 + HG2 LYS 73 OK 90 100 90 100 2.1-3.9 3.8=95, ~5198=62...(95) HE2 LYS 40 - HG2 LYS 44 far 0 39 0 - 4.4-11.3 HE3 LYS 40 - HG2 LYS 44 far 0 35 0 - 4.9-11.1 HE2 LYS 43 - HG2 LYS 44 far 0 57 0 - 6.0-9.9 HE3 LYS 43 - HG2 LYS 44 far 0 52 0 - 6.0-9.9 HE3 LYS 43 - HG2 LYS 73 far 0 97 0 - 8.2-12.7 HE2 LYS 43 - HG2 LYS 73 far 0 100 0 - 8.3-12.8 HE3 LYS 39 - HG2 LYS 44 far 0 57 0 - 8.9-13.0 HE2 LYS 39 - HG2 LYS 44 far 0 56 0 - 8.9-13.4 HE3 LYS 39 - HG2 LYS 73 far 0 100 0 - 9.9-14.9 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 11 assignments used, quality = 0.99: * HE3 LYS 73 + HG2 LYS 73 OK 95 100 95 100 2.1-3.7 5198/1.8=89, 3.8=87...(89) HE2 LYS 73 + HG2 LYS 73 OK 89 99 90 100 2.1-3.9 3.8=87, ~5198=59...(95) HE2 LYS 40 - HG2 LYS 44 far 0 49 0 - 4.4-11.3 HE3 LYS 40 - HG2 LYS 44 far 0 46 0 - 4.9-11.1 HE2 LYS 43 - HG2 LYS 44 far 0 56 0 - 6.0-9.9 HE3 LYS 43 - HG2 LYS 44 far 0 57 0 - 6.0-9.9 HE3 LYS 43 - HG2 LYS 73 far 0 100 0 - 8.2-12.7 HE2 LYS 43 - HG2 LYS 73 far 0 100 0 - 8.3-12.8 HE3 LYS 39 - HG2 LYS 44 far 0 56 0 - 8.9-13.0 HE2 LYS 39 - HG2 LYS 44 far 0 57 0 - 8.9-13.4 HE3 LYS 39 - HG2 LYS 73 far 0 99 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 5163 from cnoeabs.peaks (7.72, 1.48, 24.91 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 1.7-3.3 1481=100, 1480/1.8=94...(16) H LEU 70 - HG3 LYS 73 far 0 98 0 - 4.6-6.0 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 1 assignment used, quality = 1.00: * HA LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.7-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 5165 from cnoeabs.peaks (1.90, 1.48, 24.91 ppm; 3.22 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 71 - HG3 LYS 73 far 0 100 0 - 6.2-7.8 HB2 LEU 45 - HG3 LYS 73 far 0 94 0 - 8.0-10.9 HG LEU 45 - HG3 LYS 73 far 0 84 0 - 9.4-12.3 QE MET 67 - HG3 LYS 73 far 0 77 0 - 9.9-11.8 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 6 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-2.9 2.9=100 HB ILE 71 - HG3 LYS 73 far 0 100 0 - 6.2-7.8 HB2 LEU 45 - HG3 LYS 73 far 0 92 0 - 8.0-10.9 HG LEU 45 - HG3 LYS 73 far 0 87 0 - 9.4-12.3 QE MET 67 - HG3 LYS 73 far 0 81 0 - 9.9-11.8 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 = 0.87: HD3 LYS 73 + HG3 LYS 73 OK 79 100 80 99 2.3-3.0 3.0=62, 5160/1.8=38...(62) * HD2 LYS 73 + HG3 LYS 73 OK 38 100 40 96 2.5-3.0 3.0=62, 2.9/5198=35...(31) HG LEU 74 - HG3 LYS 73 far 0 61 0 - 2.8-6.1 HG12 ILE 71 - HG3 LYS 73 far 0 94 0 - 6.3-7.8 HD3 LYS 43 - HG3 LYS 73 far 0 100 0 - 8.9-13.3 HD2 LYS 43 - HG3 LYS 73 far 0 98 0 - 9.3-13.8 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 = 0.87: * HD3 LYS 73 + HG3 LYS 73 OK 79 100 80 99 2.3-3.0 3.0=62, 5160/1.8=38...(62) HD2 LYS 73 + HG3 LYS 73 OK 38 100 40 96 2.5-3.0 3.0=62, 2.9/5198=35...(31) HG12 ILE 71 - HG3 LYS 73 far 0 92 0 - 6.3-7.8 HD3 LYS 43 - HG3 LYS 73 far 0 100 0 - 8.9-13.3 HD2 LYS 43 - HG3 LYS 73 far 0 99 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. Peak 5171 from cnoeabs.peaks (2.98, 1.48, 24.91 ppm; 3.84 A increased from 3.62 A): 2 out of 5 assignments used, quality = 0.98: * HE2 LYS 73 + HG3 LYS 73 OK 90 100 90 100 2.3-4.2 3.8=100 HE3 LYS 73 + HG3 LYS 73 OK 84 99 85 100 2.1-4.2 3.8=100 HE3 LYS 43 - HG3 LYS 73 far 0 97 0 - 7.6-13.7 HE2 LYS 43 - HG3 LYS 73 far 0 100 0 - 8.7-13.5 HE3 LYS 39 - HG3 LYS 73 far 0 100 0 - 9.5-15.2 Violated in 0 structures by 0.00 A. Peak 5172 from cnoeabs.peaks (2.98, 1.48, 24.91 ppm; 3.88 A increased from 3.65 A): 2 out of 5 assignments used, quality = 0.98: HE2 LYS 73 + HG3 LYS 73 OK 89 99 90 100 2.3-4.2 3.8=100 * HE3 LYS 73 + HG3 LYS 73 OK 85 100 85 100 2.1-4.2 3.8=100 HE3 LYS 43 - HG3 LYS 73 far 0 100 0 - 7.6-13.7 HE2 LYS 43 - HG3 LYS 73 far 0 100 0 - 8.7-13.5 HE3 LYS 39 - HG3 LYS 73 far 0 99 0 - 9.5-15.2 Violated in 0 structures by 0.00 A. Peak 5173 from cnoeabs.peaks (7.72, 1.68, 28.78 ppm; 4.50 A increased from 4.24 A): 3 out of 10 assignments used, quality = 1.00: * H LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-4.5 1480/3.0=79, 3.0/5174=76...(15) H LYS 73 + HD3 LYS 73 OK 70 100 70 100 2.1-5.0 1480/3.0=79, 1481/3.0=72...(18) H LEU 70 + HG12 ILE 71 OK 66 78 100 84 4.2-4.6 434/1469=62, 2114/445=26...(5) H GLU 47 - HD2 LYS 43 far 0 84 0 - 5.4-8.1 H GLU 47 - HD3 LYS 43 far 0 92 0 - 5.5-7.5 H LEU 70 - HD3 LYS 73 far 0 98 0 - 5.7-7.2 H LYS 73 - HG12 ILE 71 far 0 83 0 - 5.9-6.3 H LEU 70 - HD2 LYS 73 far 0 98 0 - 6.5-8.0 H GLU 47 - HD3 LYS 73 far 0 92 0 - 8.6-15.9 H GLU 47 - HD2 LYS 73 far 0 92 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 5174 from cnoeabs.peaks (4.29, 1.68, 28.78 ppm; 3.81 A increased from 3.59 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.7 5129=76, 5128/3.0=59...(58) HA LYS 73 - HD3 LYS 73 far 15 100 15 - 2.8-4.9 HA GLN 100 - HD2 LYS 96 far 0 53 0 - 6.7-10.6 HA GLN 100 - HD3 LYS 96 far 0 55 0 - 8.3-11.7 HA LYS 73 - HG12 ILE 71 far 0 83 0 - 8.6-8.8 HA GLN 100 - HD3 LYS 73 far 0 61 0 - 9.0-14.8 HA GLN 100 - HD2 LYS 73 far 0 61 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 5175 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 6 out of 48 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 75 82 100 91 2.6-2.7 3.0=73, 1467/1469=24...(7) HB3 LYS 73 + HD2 LYS 73 OK 67 100 70 95 2.1-3.1 3.8=35, 3.0/5174=28...(34) HB3 LYS 43 + HD2 LYS 43 OK 62 92 70 96 2.1-3.5 3.8=35, 3826/1.8=18...(48) HB3 LYS 43 + HD3 LYS 43 OK 56 98 60 95 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 38 98 40 97 2.4-3.6 3.4=49, 3035/3039=24...(52) HB3 LYS 73 + HD3 LYS 73 OK 24 100 25 97 2.6-3.8 3.8=35, 2.9/5169=32...(36) HB3 LYS 20 - HD3 LYS 20 far 5 98 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 4 87 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 53 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 79 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 93 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 100 0 - 3.0-4.2 ! HB2 LYS 73 - HD2 LYS 73 far 0 100 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 92 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 90 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 98 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 98 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 55 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 96 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 76 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 80 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 79 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 75 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 57 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 63 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 94 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 73 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 84 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 94 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 87 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 66 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 76 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 73 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 82 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 89 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 94 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 82 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 84 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 98 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 99 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 94 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 96 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 77 0 - 9.8-11.7 HB2 LYS 44 - HG12 ILE 71 far 0 54 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 5176 from cnoeabs.peaks (1.89, 1.68, 28.78 ppm; 2.72 A): 6 out of 48 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 75 82 100 91 2.6-2.7 3.0=73, 1467/1469=24...(7) * HB3 LYS 73 + HD2 LYS 73 OK 67 100 70 95 2.1-3.1 3.8=35, 3.0/5174=28...(34) HB3 LYS 43 + HD2 LYS 43 OK 61 90 70 96 2.1-3.5 3.8=35, 3826/1.8=17...(48) HB3 LYS 43 + HD3 LYS 43 OK 55 97 60 95 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 38 98 40 97 2.4-3.6 3.4=49, 3034/3039=24...(52) HB3 LYS 73 + HD3 LYS 73 OK 24 100 25 97 2.6-3.8 3.8=35, 2.9/5169=32...(36) HB3 LYS 20 - HD3 LYS 20 far 5 99 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 4 84 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 57 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 76 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 93 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 100 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 100 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 91 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 88 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 99 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 98 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 59 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 95 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 80 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 83 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 82 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 79 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 60 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 65 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 92 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 71 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 82 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 87 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 92 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 84 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 62 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 79 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 69 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 79 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 87 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 92 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 83 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 87 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 99 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 93 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 96 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 80 0 - 9.8-11.7 HB2 LYS 44 - HG12 ILE 71 far 0 50 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 5177 from cnoeabs.peaks (1.60, 1.68, 28.78 ppm; 3.00 A increased from 2.40 A): 2 out of 17 assignments used, quality = 1.00: * HG2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.3-9.5 HD3 LYS 19 - HD2 LYS 20 far 0 99 0 - 4.6-10.0 HD2 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.7-10.7 HD2 LYS 19 - HD2 LYS 20 far 0 99 0 - 4.9-11.3 HG3 LYS 19 - HD2 LYS 20 far 0 99 0 - 5.0-9.7 HG3 LYS 19 - HD3 LYS 20 far 0 100 0 - 5.1-9.2 HG2 LYS 44 - HD3 LYS 43 far 0 77 0 - 5.8-8.2 HG LEU 68 - HG12 ILE 71 far 0 73 0 - 6.0-6.7 HG2 LYS 44 - HD2 LYS 43 far 0 70 0 - 6.0-8.4 HG2 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.3-8.3 HG2 LYS 73 - HD3 LYS 43 far 0 100 0 - 8.5-13.0 HG LEU 68 - HD3 LYS 96 far 0 87 0 - 8.7-14.1 HG2 LYS 73 - HD2 LYS 43 far 0 96 0 - 9.0-14.2 HG LEU 68 - HD2 LYS 96 far 0 85 0 - 9.1-13.2 HG LEU 82 - HD3 LYS 96 far 0 96 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 5178 from cnoeabs.peaks (1.48, 1.68, 28.78 ppm; 3.00 A increased from 2.40 A): 4 out of 19 assignments used, quality = 1.00: * HG3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 20 + HD2 LYS 20 OK 99 99 100 100 2.5-3.0 3.0=100 HB2 LEU 74 - HD3 LYS 73 far 0 87 0 - 4.4-8.8 HB2 LEU 74 - HG12 ILE 71 far 0 65 0 - 4.7-6.3 HB2 LEU 74 - HD2 LYS 73 far 0 87 0 - 4.9-8.1 HG3 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.3-7.8 HB3 LEU 45 - HG12 ILE 71 far 0 75 0 - 7.0-8.1 HG3 ARG 118 - HD2 LYS 20 far 0 98 0 - 8.1-16.3 HB3 LEU 45 - HD3 LYS 73 far 0 95 0 - 8.2-13.7 HB3 LEU 38 - HG12 ILE 71 far 0 50 0 - 8.4-9.8 HB3 LEU 45 - HD3 LYS 43 far 0 95 0 - 8.5-10.7 HB3 LEU 45 - HD2 LYS 43 far 0 89 0 - 8.9-11.3 HG3 LYS 73 - HD3 LYS 43 far 0 100 0 - 8.9-13.3 HG3 ARG 118 - HD3 LYS 20 far 0 98 0 - 9.0-17.2 HG3 LYS 73 - HD2 LYS 43 far 0 96 0 - 9.3-13.8 HB3 LEU 45 - HD2 LYS 73 far 0 96 0 - 9.4-13.3 HG12 ILE 57 - HD3 LYS 20 far 0 65 0 - 9.6-12.8 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 37 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 84 100 90 93 2.3-3.0 3.0=64, 3884/2.9=13...(42) HE3 LYS 73 + HD2 LYS 73 OK 65 99 70 94 2.3-3.0 2.9=68, 5198/3.0=36...(28) HE2 LYS 73 + HD3 LYS 73 OK 61 100 65 94 2.3-3.0 2.9=68, 3.8/5169=18...(33) * HE2 LYS 73 + HD2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=68, ~5198=16...(33) HE3 LYS 43 + HD2 LYS 43 OK 54 90 65 93 2.3-3.0 3.0=64, 3884/2.9=12...(39) HE3 LYS 20 + HD2 LYS 20 OK 46 64 80 91 2.3-3.0 3.0=64, 3.9/3069=10...(34) HE2 LYS 20 + HD3 LYS 20 OK 44 65 75 91 2.3-3.0 3.0=64, 3.9/3069=16...(40) HE3 LYS 73 + HD3 LYS 73 OK 42 99 45 94 2.3-3.0 2.9=68, 5198/3.0=36...(28) HE2 LYS 43 + HD2 LYS 43 OK 40 95 45 93 2.5-3.0 3.0=64, 3884/2.9=13...(42) HE3 LYS 43 + HD3 LYS 43 OK 40 97 45 91 2.5-3.0 3.0=64, 3884/2.9=12...(39) HE3 LYS 20 + HD3 LYS 20 OK 26 65 45 91 2.4-3.0 3.0=64, 3.9/3069=16...(33) HE2 LYS 20 + HD2 LYS 20 OK 26 64 45 90 2.4-3.0 3.0=64, 3.9/3069=10...(41) HE3 LYS 39 - HD2 LYS 43 far 0 96 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 95 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 76 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 73 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 73 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 75 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 80 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 66 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 76 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 80 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 75 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 96 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 88 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 99 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 97 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 93 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 89 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 97 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 77 0 - 9.7-14.2 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 37 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 83 100 90 92 2.3-3.0 3.0=62, 3884/2.9=12...(41) HE3 LYS 20 + HD2 LYS 20 OK 59 82 80 90 2.3-3.0 3.0=62, 3.9/3069=10...(34) HE2 LYS 20 + HD3 LYS 20 OK 57 83 75 91 2.3-3.0 3.0=62, 3.9/3069=16...(40) * HE3 LYS 73 + HD2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 73 + HD2 LYS 73 OK 55 99 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE2 LYS 73 + HD3 LYS 73 OK 51 99 55 94 2.3-3.0 2.9=66, 3.8/5169=18...(33) HE3 LYS 43 + HD2 LYS 43 OK 48 95 55 92 2.3-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 73 + HD3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 43 + HD2 LYS 43 OK 31 95 35 92 2.5-3.0 3.0=62, 3884/2.9=12...(41) HE2 LYS 20 + HD2 LYS 20 OK 30 82 40 90 2.4-3.0 3.0=62, 3081/3.0=10...(41) HE3 LYS 43 + HD3 LYS 43 OK 27 100 30 90 2.5-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 20 + HD3 LYS 20 OK 26 83 35 90 2.4-3.0 3.0=62, 3.9/3069=16...(33) HE3 LYS 39 - HD2 LYS 43 far 0 94 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 95 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 99 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 91 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 89 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 87 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 90 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 94 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 82 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 91 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 83 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 80 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 90 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 93 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 99 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 97 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 96 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 98 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 100 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 82 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 5183 from cnoeabs.peaks (7.72, 1.68, 28.78 ppm; 4.50 A increased from 4.24 A): 3 out of 10 assignments used, quality = 1.00: H LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-4.5 1480/3.0=79, 3.0/5184=76...(15) * H LYS 73 + HD3 LYS 73 OK 70 100 70 100 2.1-5.0 1480/3.0=79, 1481/3.0=72...(18) H LEU 70 + HG12 ILE 71 OK 61 74 100 82 4.2-4.6 434/1469=61, 2114/445=26...(5) H GLU 47 - HD2 LYS 43 far 0 87 0 - 5.4-8.1 H GLU 47 - HD3 LYS 43 far 0 92 0 - 5.5-7.5 H LEU 70 - HD3 LYS 73 far 0 98 0 - 5.7-7.2 H LYS 73 - HG12 ILE 71 far 0 78 0 - 5.9-6.3 H LEU 70 - HD2 LYS 73 far 0 98 0 - 6.5-8.0 H GLU 47 - HD3 LYS 73 far 0 92 0 - 8.6-15.9 H GLU 47 - HD2 LYS 73 far 0 92 0 - 9.8-15.6 Violated in 0 structures by 0.00 A. Peak 5184 from cnoeabs.peaks (4.29, 1.68, 28.78 ppm; 3.81 A increased from 3.59 A): 1 out of 7 assignments used, quality = 1.00: HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.7 5130=76, 5128/3.0=59...(58) ! HA LYS 73 - HD3 LYS 73 far 15 100 15 - 2.8-4.9 HA GLN 100 - HD2 LYS 96 far 0 54 0 - 6.7-10.6 HA GLN 100 - HD3 LYS 96 far 0 56 0 - 8.3-11.7 HA LYS 73 - HG12 ILE 71 far 0 78 0 - 8.6-8.8 HA GLN 100 - HD3 LYS 73 far 0 61 0 - 9.0-14.8 HA GLN 100 - HD2 LYS 73 far 0 61 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 5185 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 6 out of 48 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 71 78 100 91 2.6-2.7 3.0=73, 1467/1469=23...(7) HB3 LYS 73 + HD2 LYS 73 OK 67 100 70 95 2.1-3.1 3.8=35, 3.0/5184=28...(34) HB3 LYS 43 + HD2 LYS 43 OK 63 94 70 96 2.1-3.5 3.8=35, 3826/1.8=18...(48) HB3 LYS 43 + HD3 LYS 43 OK 56 98 60 95 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 38 97 40 97 2.4-3.6 3.4=49, 3035/3039=24...(52) HB3 LYS 73 + HD3 LYS 73 OK 24 100 25 97 2.6-3.8 3.8=35, 2.9/5170=32...(36) HB3 LYS 20 - HD3 LYS 20 far 5 98 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 4 87 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 54 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 82 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 95 0 - 2.9-8.6 ! HB2 LYS 73 - HD3 LYS 73 far 0 100 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 100 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 93 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 91 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 98 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 97 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 56 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 96 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 75 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 79 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 77 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 74 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 53 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 59 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 94 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 69 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 84 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 94 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 89 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 68 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 78 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 73 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 84 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 90 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 94 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 78 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 84 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 98 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 99 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 96 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 97 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 77 0 - 9.8-11.7 HB2 LYS 44 - HG12 ILE 71 far 0 50 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 5186 from cnoeabs.peaks (1.89, 1.68, 28.78 ppm; 2.72 A): 6 out of 48 assignments used, quality = 0.99: HB ILE 71 + HG12 ILE 71 OK 71 78 100 91 2.6-2.7 3.0=73, 1467/1469=23...(7) HB3 LYS 73 + HD2 LYS 73 OK 67 100 70 95 2.1-3.1 3.8=35, 3.0/5184=28...(34) HB3 LYS 43 + HD2 LYS 43 OK 62 93 70 96 2.1-3.5 3.8=35, 3826/1.8=17...(48) HB3 LYS 43 + HD3 LYS 43 OK 55 97 60 95 2.1-3.6 3.8=35, 3.0/3817=17...(48) HB3 LYS 20 + HD2 LYS 20 OK 38 97 40 97 2.4-3.6 3.4=49, 3034/3039=24...(52) * HB3 LYS 73 + HD3 LYS 73 OK 24 100 25 97 2.6-3.8 3.8=35, 2.9/5170=32...(36) HB3 LYS 20 - HD3 LYS 20 far 5 98 5 - 2.4-3.8 HB2 LYS 43 - HD3 LYS 43 far 4 84 5 - 2.8-4.2 HG2 ARG 95 - HD2 LYS 96 far 3 58 5 - 2.5-9.0 HB2 LYS 43 - HD2 LYS 43 far 0 78 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 94 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 100 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 100 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 91 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 90 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 98 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 97 0 - 3.6-4.2 HG2 ARG 95 - HD3 LYS 96 far 0 59 0 - 3.7-9.4 HB2 ARG 95 - HD3 LYS 96 far 0 96 0 - 3.9-9.2 HB2 LYS 16 - HD3 LYS 20 far 0 79 0 - 4.0-9.0 HB3 LYS 16 - HD3 LYS 20 far 0 82 0 - 4.1-10.3 HB3 LYS 16 - HD2 LYS 20 far 0 80 0 - 5.4-10.4 HB2 LYS 16 - HD2 LYS 20 far 0 77 0 - 5.4-8.9 QE MET 67 - HG12 ILE 71 far 0 56 0 - 5.6-6.2 HG LEU 45 - HG12 ILE 71 far 0 62 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 92 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 67 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 87 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 100 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 92 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 87 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 64 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 100 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 82 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 70 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 82 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 87 0 - 8.2-9.8 HB2 LEU 45 - HD2 LYS 73 far 0 92 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 78 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 87 0 - 8.6-13.7 HB2 LYS 73 - HD3 LYS 43 far 0 100 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 99 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 95 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 97 0 - 9.8-13.9 QE MET 67 - HD3 LYS 43 far 0 81 0 - 9.8-11.7 HB2 LYS 44 - HG12 ILE 71 far 0 47 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 5187 from cnoeabs.peaks (1.60, 1.68, 28.78 ppm; 3.00 A increased from 2.40 A): 2 out of 17 assignments used, quality = 1.00: * HG2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.3-9.5 HD3 LYS 19 - HD2 LYS 20 far 0 98 0 - 4.6-10.0 HD2 LYS 19 - HD3 LYS 20 far 0 99 0 - 4.7-10.7 HD2 LYS 19 - HD2 LYS 20 far 0 98 0 - 4.9-11.3 HG3 LYS 19 - HD2 LYS 20 far 0 99 0 - 5.0-9.7 HG3 LYS 19 - HD3 LYS 20 far 0 99 0 - 5.1-9.2 HG2 LYS 44 - HD3 LYS 43 far 0 77 0 - 5.8-8.2 HG LEU 68 - HG12 ILE 71 far 0 69 0 - 6.0-6.7 HG2 LYS 44 - HD2 LYS 43 far 0 72 0 - 6.0-8.4 HG2 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.3-8.3 HG2 LYS 73 - HD3 LYS 43 far 0 100 0 - 8.5-13.0 HG LEU 68 - HD3 LYS 96 far 0 88 0 - 8.7-14.1 HG2 LYS 73 - HD2 LYS 43 far 0 97 0 - 9.0-14.2 HG LEU 68 - HD2 LYS 96 far 0 86 0 - 9.1-13.2 HG LEU 82 - HD3 LYS 96 far 0 96 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 5188 from cnoeabs.peaks (1.48, 1.68, 28.78 ppm; 3.00 A increased from 2.40 A): 4 out of 19 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 20 + HD3 LYS 20 OK 99 99 100 100 2.4-3.0 3.0=100 HG3 LYS 20 + HD2 LYS 20 OK 98 98 100 100 2.5-3.0 3.0=100 HB2 LEU 74 - HD3 LYS 73 far 0 87 0 - 4.4-8.8 HB2 LEU 74 - HG12 ILE 71 far 0 62 0 - 4.7-6.3 HB2 LEU 74 - HD2 LYS 73 far 0 87 0 - 4.9-8.1 HG3 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.3-7.8 HB3 LEU 45 - HG12 ILE 71 far 0 71 0 - 7.0-8.1 HG3 ARG 118 - HD2 LYS 20 far 0 97 0 - 8.1-16.3 HB3 LEU 45 - HD3 LYS 73 far 0 96 0 - 8.2-13.7 HB3 LEU 38 - HG12 ILE 71 far 0 47 0 - 8.4-9.8 HB3 LEU 45 - HD3 LYS 43 far 0 96 0 - 8.5-10.7 HB3 LEU 45 - HD2 LYS 43 far 0 91 0 - 8.9-11.3 HG3 LYS 73 - HD3 LYS 43 far 0 100 0 - 8.9-13.3 HG3 ARG 118 - HD3 LYS 20 far 0 98 0 - 9.0-17.2 HG3 LYS 73 - HD2 LYS 43 far 0 97 0 - 9.3-13.8 HB3 LEU 45 - HD2 LYS 73 far 0 95 0 - 9.4-13.3 HG12 ILE 57 - HD3 LYS 20 far 0 64 0 - 9.6-12.8 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 37 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 84 100 90 93 2.3-3.0 3.0=64, 3884/2.9=13...(42) HE3 LYS 73 + HD2 LYS 73 OK 65 99 70 94 2.3-3.0 2.9=68, 5198/3.0=36...(28) * HE2 LYS 73 + HD3 LYS 73 OK 61 100 65 94 2.3-3.0 2.9=68, 3.8/5170=18...(33) HE2 LYS 73 + HD2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=68, ~5198=16...(33) HE3 LYS 43 + HD2 LYS 43 OK 56 93 65 93 2.3-3.0 3.0=64, 3884/2.9=12...(39) HE3 LYS 20 + HD2 LYS 20 OK 45 62 80 91 2.3-3.0 3.0=64, 3.9/3069=10...(34) HE2 LYS 20 + HD3 LYS 20 OK 43 64 75 91 2.3-3.0 3.0=64, 3.9/3069=16...(40) HE3 LYS 73 + HD3 LYS 73 OK 42 99 45 94 2.3-3.0 2.9=68, 5198/3.0=36...(28) HE2 LYS 43 + HD2 LYS 43 OK 41 97 45 93 2.5-3.0 3.0=64, 3884/2.9=13...(42) HE3 LYS 43 + HD3 LYS 43 OK 40 97 45 91 2.5-3.0 3.0=64, 3884/2.9=12...(39) HE3 LYS 20 + HD3 LYS 20 OK 26 64 45 91 2.4-3.0 3.0=64, 3.9/3069=16...(33) HE2 LYS 20 + HD2 LYS 20 OK 25 62 45 90 2.4-3.0 3.0=64, 3.9/3069=10...(41) HE3 LYS 39 - HD2 LYS 43 far 0 97 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 97 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 75 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 73 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 75 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 74 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 81 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 68 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 75 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 75 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 74 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 86 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 99 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 97 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 95 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 88 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 97 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 73 0 - 9.7-14.2 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 37 assignments used, quality = 1.00: HE2 LYS 43 + HD3 LYS 43 OK 83 100 90 92 2.3-3.0 3.0=62, 3884/2.9=12...(41) HE3 LYS 20 + HD2 LYS 20 OK 58 80 80 90 2.3-3.0 3.0=62, 3.9/3069=10...(34) HE3 LYS 73 + HD2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 20 + HD3 LYS 20 OK 56 82 75 91 2.3-3.0 3.0=62, 3.9/3069=15...(40) HE2 LYS 73 + HD2 LYS 73 OK 55 99 60 92 2.3-3.0 2.9=66, ~5198=15...(33) HE2 LYS 73 + HD3 LYS 73 OK 51 99 55 94 2.3-3.0 2.9=66, 3.8/5170=18...(33) HE3 LYS 43 + HD2 LYS 43 OK 49 97 55 92 2.3-3.0 3.0=62, 3884/2.9=12...(38) * HE3 LYS 73 + HD3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=66, 5198/3.0=35...(28) HE2 LYS 43 + HD2 LYS 43 OK 31 97 35 92 2.5-3.0 3.0=62, 3884/2.9=12...(41) HE2 LYS 20 + HD2 LYS 20 OK 29 80 40 90 2.4-3.0 3.0=62, 3080/3.0=10...(41) HE3 LYS 43 + HD3 LYS 43 OK 27 100 30 90 2.5-3.0 3.0=62, 3884/2.9=12...(38) HE3 LYS 20 + HD3 LYS 20 OK 26 82 35 90 2.4-3.0 3.0=62, 3.9/3069=15...(33) HE3 LYS 39 - HD2 LYS 43 far 0 96 0 - 3.1-9.9 HE2 LYS 39 - HD2 LYS 43 far 0 97 0 - 3.8-11.1 HE3 LYS 39 - HD3 LYS 43 far 0 99 0 - 4.0-9.5 HB2 ASN 24 - HD3 LYS 20 far 0 90 0 - 4.4-11.7 HE3 LYS 40 - HD3 LYS 43 far 0 90 0 - 4.6-11.4 HE2 LYS 39 - HD3 LYS 43 far 0 100 0 - 4.7-10.7 HE2 LYS 40 - HD2 LYS 43 far 0 89 0 - 4.9-10.7 HB2 ASN 24 - HD2 LYS 20 far 0 89 0 - 5.4-10.2 HE2 LYS 40 - HD3 LYS 43 far 0 94 0 - 5.5-11.1 HE3 LYS 40 - HD2 LYS 43 far 0 84 0 - 5.5-10.6 HB3 ASN 24 - HD3 LYS 20 far 0 90 0 - 5.9-13.2 HE3 LYS 73 - HG12 ILE 71 far 0 78 0 - 6.3-10.7 HE2 LYS 73 - HG12 ILE 71 far 0 75 0 - 6.6-10.4 HB3 ASN 24 - HD2 LYS 20 far 0 89 0 - 6.9-11.7 HE2 LYS 73 - HD2 LYS 43 far 0 95 0 - 7.1-15.7 HE2 LYS 73 - HD3 LYS 43 far 0 99 0 - 7.1-15.7 HD3 ARG 118 - HD2 LYS 20 far 0 96 0 - 7.4-16.6 HE3 LYS 73 - HD3 LYS 43 far 0 100 0 - 7.6-14.7 HE2 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.7-15.2 HE3 LYS 43 - HD3 LYS 73 far 0 100 0 - 7.8-15.5 HE3 LYS 73 - HD2 LYS 43 far 0 97 0 - 7.8-15.5 HD3 ARG 118 - HD3 LYS 20 far 0 97 0 - 8.5-17.2 HE3 LYS 43 - HD2 LYS 73 far 0 100 0 - 8.9-15.7 HE2 LYS 43 - HD2 LYS 73 far 0 100 0 - 9.0-15.7 HE3 LYS 43 - HG12 ILE 71 far 0 78 0 - 9.7-14.2 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 4 assignments used, quality = 1.00: * HA LYS 73 + HE2 LYS 73 OK 100 100 100 100 2.3-5.9 5184/2.9=99, 5128/3.8=95...(68) HA LYS 73 + HE3 LYS 73 OK 97 97 100 100 2.6-5.8 5128/5198=100...(67) HA GLN 100 - HE3 LYS 73 far 0 57 0 - 9.1-15.0 HA GLN 100 - HE2 LYS 73 far 0 61 0 - 9.4-16.1 Violated in 0 structures by 0.00 A. Peak 5195 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.44 A): 3 out of 46 assignments used, quality = 0.77: HB3 LYS 73 + HE2 LYS 73 OK 44 100 45 99 2.0-4.7 ~5198=36, 4.9=35...(35) HB3 LYS 73 + HE3 LYS 73 OK 39 97 40 99 2.1-4.6 2.9/5198=66, 4.9=35...(32) HB3 LYS 43 + HE2 LYS 43 OK 34 98 35 99 2.2-4.6 4.7=40, 3.0/3884=24...(44) HB3 LYS 43 - HE3 LYS 43 poor 18 89 20 - 2.0-4.6 HB2 LYS 73 - HE3 LYS 73 far 10 97 10 - 3.4-5.3 HB2 LYS 43 - HE3 LYS 43 far 8 76 10 - 3.2-4.9 ! HB2 LYS 73 - HE2 LYS 73 far 5 100 5 - 3.5-5.5 HB2 LYS 43 - HE2 LYS 43 far 4 86 5 - 3.4-5.5 HB2 LYS 43 - HE2 LYS 40 far 0 48 0 - 3.6-7.6 HB3 LYS 43 - HE2 LYS 40 far 0 59 0 - 4.6-9.0 HB2 LYS 43 - HE3 LYS 39 far 0 87 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 85 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 89 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 98 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 94 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 93 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 97 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 39 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 84 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 73 0 - 6.8-10.7 HG LEU 45 - HE2 LYS 43 far 0 83 0 - 6.8-10.0 HB3 LYS 44 - HE2 LYS 40 far 0 50 0 - 7.1-11.7 HB ILE 71 - HE3 LYS 73 far 0 97 0 - 7.1-10.2 HB ILE 71 - HE2 LYS 73 far 0 100 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 73 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 78 0 - 7.9-15.4 HG LEU 45 - HE2 LYS 73 far 0 84 0 - 7.9-14.1 HB2 LYS 44 - HE3 LYS 43 far 0 63 0 - 7.9-10.0 QE MET 67 - HE2 LYS 39 far 0 75 0 - 8.0-11.0 HB3 LYS 44 - HE3 LYS 43 far 0 79 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 89 0 - 8.2-10.9 QE MET 67 - HE3 LYS 39 far 0 77 0 - 8.3-10.5 HB2 LYS 73 - HE2 LYS 43 far 0 100 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 93 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 98 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 100 0 - 9.0-13.7 QE MET 67 - HE2 LYS 40 far 0 41 0 - 9.2-11.4 QE MET 67 - HE3 LYS 43 far 0 67 0 - 9.2-12.7 HG LEU 45 - HE2 LYS 40 far 0 46 0 - 9.2-12.8 HB2 LYS 43 - HE2 LYS 73 far 0 87 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 94 0 - 9.5-16.7 QE MET 67 - HE3 LYS 73 far 0 72 0 - 9.7-13.9 QE MET 67 - HE2 LYS 73 far 0 77 0 - 9.8-13.5 HB2 LYS 49 - HE2 LYS 43 far 0 99 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 82 0 - 9.9-16.9 Violated in 4 structures by 0.05 A. Peak 5196 from cnoeabs.peaks (1.89, 2.98, 41.78 ppm; 3.44 A): 3 out of 46 assignments used, quality = 0.77: * HB3 LYS 73 + HE2 LYS 73 OK 44 100 45 99 2.0-4.7 ~5198=36, 4.9=35...(35) HB3 LYS 73 + HE3 LYS 73 OK 39 97 40 99 2.1-4.6 2.9/5198=66, 4.9=35...(32) HB3 LYS 43 + HE2 LYS 43 OK 33 96 35 99 2.2-4.6 4.7=40, 3.0/3884=24...(44) HB3 LYS 43 - HE3 LYS 43 poor 18 88 20 - 2.0-4.6 HB2 LYS 73 - HE3 LYS 73 far 10 97 10 - 3.4-5.3 HB2 LYS 43 - HE3 LYS 43 far 7 73 10 - 3.2-4.9 HB2 LYS 73 - HE2 LYS 73 far 5 100 5 - 3.5-5.5 HB2 LYS 43 - HE2 LYS 43 far 4 83 5 - 3.4-5.5 HB2 LYS 43 - HE2 LYS 40 far 0 46 0 - 3.6-7.6 HB3 LYS 43 - HE2 LYS 40 far 0 58 0 - 4.6-9.0 HB2 LYS 43 - HE3 LYS 39 far 0 84 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 82 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 87 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 97 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 92 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 91 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 96 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 36 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 82 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 76 0 - 6.8-10.7 HG LEU 45 - HE2 LYS 43 far 0 86 0 - 6.8-10.0 HB3 LYS 44 - HE2 LYS 40 far 0 48 0 - 7.1-11.7 HB ILE 71 - HE3 LYS 73 far 0 97 0 - 7.1-10.2 HB ILE 71 - HE2 LYS 73 far 0 100 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 69 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 82 0 - 7.9-15.4 HG LEU 45 - HE2 LYS 73 far 0 87 0 - 7.9-14.1 HB2 LYS 44 - HE3 LYS 43 far 0 60 0 - 7.9-10.0 QE MET 67 - HE2 LYS 39 far 0 79 0 - 8.0-11.0 HB3 LYS 44 - HE3 LYS 43 far 0 76 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 86 0 - 8.2-10.9 QE MET 67 - HE3 LYS 39 far 0 80 0 - 8.3-10.5 HB2 LYS 73 - HE2 LYS 43 far 0 100 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 93 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 97 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 100 0 - 9.0-13.7 QE MET 67 - HE2 LYS 40 far 0 44 0 - 9.2-11.4 QE MET 67 - HE3 LYS 43 far 0 70 0 - 9.2-12.7 HG LEU 45 - HE2 LYS 40 far 0 48 0 - 9.2-12.8 HB2 LYS 43 - HE2 LYS 73 far 0 84 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 93 0 - 9.5-16.7 QE MET 67 - HE3 LYS 73 far 0 75 0 - 9.7-13.9 QE MET 67 - HE2 LYS 73 far 0 81 0 - 9.8-13.5 HB2 LYS 49 - HE2 LYS 43 far 0 98 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 78 0 - 9.9-16.9 Violated in 4 structures by 0.05 A. Peak 5197 from cnoeabs.peaks (1.60, 2.98, 41.78 ppm; 3.46 A increased from 3.08 A): 2 out of 10 assignments used, quality = 0.95: HG2 LYS 73 + HE3 LYS 73 OK 83 97 85 100 2.1-3.7 1.8/5198=87, 3.8=76...(89) * HG2 LYS 73 + HE2 LYS 73 OK 70 100 70 100 2.1-3.9 3.8=76, ~5198=54...(95) HG2 LYS 44 - HE2 LYS 40 far 0 41 0 - 4.4-11.3 HG2 LYS 44 - HE2 LYS 43 far 0 76 0 - 6.0-9.9 HG2 LYS 44 - HE3 LYS 43 far 0 67 0 - 6.0-9.9 HG2 LYS 73 - HE3 LYS 43 far 0 93 0 - 8.2-12.7 HG2 LYS 73 - HE2 LYS 43 far 0 100 0 - 8.3-12.8 HG2 LYS 44 - HE3 LYS 39 far 0 77 0 - 8.9-13.0 HG2 LYS 44 - HE2 LYS 39 far 0 75 0 - 8.9-13.4 HG2 LYS 73 - HE3 LYS 39 far 0 100 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 5198 from cnoeabs.peaks (1.48, 2.98, 41.78 ppm; 2.85 A): 1 out of 17 assignments used, quality = 0.39: HG3 LYS 73 + HE3 LYS 73 OK 39 97 40 99 2.1-4.2 3.8=43, 5170/2.9=34...(89) ! HG3 LYS 73 - HE2 LYS 73 far 10 100 10 - 2.3-4.2 HB2 LEU 74 - HE3 LYS 73 far 0 82 0 - 3.8-9.7 HB2 LEU 74 - HE2 LYS 73 far 0 87 0 - 4.5-9.6 HB3 LEU 38 - HE2 LYS 39 far 0 68 0 - 6.7-10.1 HB3 LEU 45 - HE3 LYS 73 far 0 91 0 - 7.4-15.1 HB3 LEU 38 - HE3 LYS 39 far 0 69 0 - 7.4-10.0 HB3 LEU 45 - HE2 LYS 73 far 0 96 0 - 7.6-14.1 HG3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.6-13.7 HB3 LEU 45 - HE2 LYS 43 far 0 95 0 - 8.2-11.6 HB3 LEU 38 - HE2 LYS 40 far 0 36 0 - 8.3-11.8 HB3 LEU 45 - HE3 LYS 43 far 0 86 0 - 8.5-12.5 HG3 LYS 73 - HE2 LYS 43 far 0 100 0 - 8.7-13.5 HG3 LYS 73 - HE3 LYS 39 far 0 100 0 - 9.5-15.2 HB2 LEU 74 - HE3 LYS 43 far 0 76 0 - 9.5-14.4 HB2 LEU 74 - HE2 LYS 43 far 0 86 0 - 9.7-14.3 HB3 LEU 38 - HE3 LYS 43 far 0 60 0 - 9.9-13.2 Violated in 13 structures by 0.54 A. Peak 5199 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 9 out of 51 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 83 100 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) * HD2 LYS 73 + HE2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD2 LYS 73 + HE3 LYS 73 OK 55 97 60 94 2.3-3.0 2.9=67, 3.0/5198=36...(28) HD2 LYS 43 + HE3 LYS 43 OK 53 89 65 92 2.3-3.0 3.0=63, 2.9/3884=12...(37) HD3 LYS 73 + HE2 LYS 73 OK 52 100 55 94 2.3-3.0 2.9=67, 5169/3.8=18...(31) HD3 LYS 73 + HE3 LYS 73 OK 41 97 45 94 2.3-3.0 2.9=67, 3.0/5198=36...(28) HD2 LYS 43 + HE2 LYS 43 OK 40 98 45 92 2.5-3.0 3.0=63, 2.9/3884=13...(40) HD3 LYS 43 + HE3 LYS 43 OK 38 93 45 90 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 40 + HE2 LYS 40 OK 28 62 50 91 2.3-3.0 3.0=63, 3701/5.0=13...(25) HG3 LYS 39 - HE2 LYS 39 poor 20 79 25 - 2.3-4.2 HD3 LYS 40 - HE2 LYS 40 poor 19 61 35 90 2.4-3.0 3.0=63, 3694/3.9=24...(25) HG LEU 74 - HE3 LYS 73 far 6 57 10 - 1.9-8.5 HG3 LYS 39 - HE3 LYS 39 far 4 80 5 - 2.6-4.2 HG LEU 74 - HE2 LYS 73 far 3 61 5 - 2.4-8.5 HD2 LYS 43 - HE3 LYS 39 far 0 98 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 97 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 100 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 34 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 99 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 44 0 - 4.4-10.4 HD2 LYS 40 - HE2 LYS 39 far 0 99 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.7-10.7 HD2 LYS 43 - HE2 LYS 40 far 0 59 0 - 4.9-10.7 HD3 LYS 40 - HE2 LYS 39 far 0 98 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 70 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 63 0 - 5.5-11.1 HD2 LYS 40 - HE3 LYS 43 far 0 92 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 39 0 - 5.9-12.6 HD2 LYS 40 - HE2 LYS 43 far 0 99 0 - 6.1-11.0 HG12 ILE 71 - HE3 LYS 73 far 0 89 0 - 6.3-10.7 HG3 LYS 39 - HE2 LYS 43 far 0 80 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 99 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 92 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 94 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 56 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 63 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 65 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 73 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 52 0 - 7.1-12.0 HD2 LYS 43 - HE2 LYS 73 far 0 98 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 100 0 - 7.1-15.7 HG LEU 74 - HE2 LYS 43 far 0 61 0 - 7.3-12.1 HD3 LYS 43 - HE3 LYS 73 far 0 97 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 100 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 94 0 - 7.8-15.5 HD2 LYS 73 - HE3 LYS 43 far 0 93 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 100 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 84 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 64 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 5200 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 9 out of 47 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 83 100 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 73 + HE2 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD2 LYS 73 + HE3 LYS 73 OK 55 97 60 94 2.3-3.0 2.9=67, 3.0/5198=36...(28) HD2 LYS 43 + HE3 LYS 43 OK 54 91 65 92 2.3-3.0 3.0=63, 2.9/3884=12...(37) * HD3 LYS 73 + HE2 LYS 73 OK 52 100 55 94 2.3-3.0 2.9=67, 5170/3.8=18...(31) HD3 LYS 73 + HE3 LYS 73 OK 41 97 45 94 2.3-3.0 2.9=67, 3.0/5198=36...(28) HD2 LYS 43 + HE2 LYS 43 OK 41 98 45 92 2.5-3.0 3.0=63, 2.9/3884=13...(40) HD3 LYS 43 + HE3 LYS 43 OK 38 93 45 90 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 40 + HE2 LYS 40 OK 28 62 50 91 2.3-3.0 3.0=63, 3701/5.0=13...(25) HD3 LYS 40 - HE2 LYS 40 poor 20 62 35 90 2.4-3.0 3.0=63, 3694/3.9=24...(25) HG3 LYS 39 - HE2 LYS 39 poor 19 75 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 4 77 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 99 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 98 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 100 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 31 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 100 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 41 0 - 4.4-10.4 HD2 LYS 40 - HE2 LYS 39 far 0 99 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 99 0 - 4.7-10.7 HD2 LYS 43 - HE2 LYS 40 far 0 60 0 - 4.9-10.7 HD3 LYS 40 - HE2 LYS 39 far 0 99 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 67 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 63 0 - 5.5-11.1 HD2 LYS 40 - HE3 LYS 43 far 0 93 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 36 0 - 5.9-12.6 HD2 LYS 40 - HE2 LYS 43 far 0 100 0 - 6.1-11.0 HG12 ILE 71 - HE3 LYS 73 far 0 87 0 - 6.3-10.7 HG3 LYS 39 - HE2 LYS 43 far 0 76 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 99 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 92 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 92 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 52 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 60 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 61 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 69 0 - 7.1-11.5 HD2 LYS 43 - HE2 LYS 73 far 0 99 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 100 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 97 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 100 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 93 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 95 0 - 7.8-15.5 HD2 LYS 73 - HE3 LYS 43 far 0 93 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 100 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 82 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 60 0 - 9.8-15.7 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; 4.18 A increased from 3.34 A): 10 out of 60 assignments used, quality = 1.00: HB3 LYS 73 + HE3 LYS 73 OK 70 100 70 100 2.1-4.6 2.9/5198=81, 4.9=62...(33) HB3 LYS 73 + HE2 LYS 73 OK 63 97 65 100 2.0-4.7 4.9=62, ~5198=55...(36) HB3 LYS 43 + HE3 LYS 43 OK 58 98 60 100 2.0-4.6 4.7=72, 3.0/3849=34...(42) HB3 LYS 20 + HE3 LYS 20 OK 55 65 85 100 2.0-4.6 4.8=65, ~3081=26...(60) HB3 LYS 43 + HE2 LYS 43 OK 44 97 45 100 2.2-4.6 4.7=72, 3.0/3884=34...(44) HB3 LYS 20 + HE2 LYS 20 OK 39 65 60 100 2.0-4.9 4.8=65, 2.9/3081=31...(57) HB2 LYS 73 + HE2 LYS 73 OK 39 97 40 100 3.5-5.5 4.9=62, ~5198=55...(73) HB2 LYS 20 + HE2 LYS 20 OK 36 65 55 100 3.6-5.5 4.8=65, 2.9/3080=31...(92) * HB2 LYS 73 + HE3 LYS 73 OK 35 100 35 100 3.4-5.3 2.9/5198=81, 4.9=62...(70) HB2 LYS 20 + HE3 LYS 20 OK 23 65 35 100 3.6-5.0 4.8=65, ~3081=26...(92) HB2 LYS 43 - HE2 LYS 43 poor 17 85 20 - 3.4-5.5 HB2 LYS 43 - HE3 LYS 43 far 13 86 15 - 3.2-4.9 HB2 LYS 16 - HE2 LYS 20 poor 11 45 25 - 3.4-8.7 HB2 LYS 16 - HE3 LYS 20 poor 9 45 20 - 3.2-8.4 HB2 LYS 43 - HE2 LYS 40 far 7 70 10 - 3.6-7.6 HB2 LYS 43 - HE3 LYS 40 far 6 62 10 - 3.9-8.4 HB3 LYS 16 - HE3 LYS 20 far 2 48 5 - 4.2-9.9 HB3 LYS 16 - HE2 LYS 20 far 0 48 0 - 4.3-9.9 HB3 LYS 43 - HE2 LYS 40 far 0 83 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 74 0 - 5.0-9.7 HB2 LYS 43 - HE3 LYS 39 far 0 83 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 86 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 94 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 96 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 89 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 92 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 98 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 57 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 93 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 83 0 - 6.8-10.7 HG LEU 45 - HE2 LYS 43 far 0 82 0 - 6.8-10.0 HB3 LYS 44 - HE2 LYS 40 far 0 72 0 - 7.1-11.7 HB2 LYS 44 - HE3 LYS 40 far 0 50 0 - 7.1-10.9 HB ILE 71 - HE3 LYS 73 far 0 100 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 64 0 - 7.5-11.6 HB ILE 71 - HE2 LYS 73 far 0 97 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 71 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 84 0 - 7.9-15.4 HG LEU 45 - HE2 LYS 73 far 0 78 0 - 7.9-14.1 HB2 LYS 44 - HE3 LYS 43 far 0 73 0 - 7.9-10.0 QE MET 67 - HE2 LYS 39 far 0 76 0 - 8.0-11.0 HB3 LYS 44 - HE3 LYS 43 far 0 89 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 88 0 - 8.2-10.9 QE MET 67 - HE3 LYS 39 far 0 74 0 - 8.3-10.5 HB2 LYS 73 - HE2 LYS 43 far 0 99 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 100 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 94 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 99 0 - 9.0-13.7 QE MET 67 - HE2 LYS 40 far 0 61 0 - 9.2-11.4 QE MET 67 - HE3 LYS 43 far 0 76 0 - 9.2-12.7 HG LEU 45 - HE2 LYS 40 far 0 67 0 - 9.2-12.8 HG LEU 45 - HE3 LYS 40 far 0 59 0 - 9.4-12.8 HB2 LYS 43 - HE2 LYS 73 far 0 82 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 98 0 - 9.5-16.7 QE MET 67 - HE3 LYS 73 far 0 77 0 - 9.7-13.9 QE MET 67 - HE3 LYS 40 far 0 53 0 - 9.8-11.7 QE MET 67 - HE2 LYS 73 far 0 72 0 - 9.8-13.5 HB2 LYS 49 - HE2 LYS 43 far 0 98 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 87 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 5206 from cnoeabs.peaks (1.89, 2.98, 41.78 ppm; 4.18 A increased from 3.34 A): 10 out of 60 assignments used, quality = 1.00: * HB3 LYS 73 + HE3 LYS 73 OK 70 100 70 100 2.1-4.6 2.9/5198=81, 4.9=62...(33) HB3 LYS 73 + HE2 LYS 73 OK 63 97 65 100 2.0-4.7 4.9=62, ~5198=55...(36) HB3 LYS 43 + HE3 LYS 43 OK 58 96 60 100 2.0-4.6 4.7=72, 3.0/3849=34...(42) HB3 LYS 20 + HE3 LYS 20 OK 56 66 85 100 2.0-4.6 4.8=65, ~3081=26...(60) HB3 LYS 43 + HE2 LYS 43 OK 43 96 45 100 2.2-4.6 4.7=72, 3.0/3884=34...(44) HB3 LYS 20 + HE2 LYS 20 OK 40 66 60 100 2.0-4.9 4.8=65, 2.9/3081=31...(57) HB2 LYS 73 + HE2 LYS 73 OK 39 97 40 100 3.5-5.5 4.9=62, ~5198=55...(73) HB2 LYS 20 + HE2 LYS 20 OK 36 66 55 100 3.6-5.5 4.8=65, 2.9/3080=31...(92) HB2 LYS 73 + HE3 LYS 73 OK 35 100 35 100 3.4-5.3 2.9/5198=81, 4.9=62...(70) HB2 LYS 20 + HE3 LYS 20 OK 23 66 35 100 3.6-5.0 4.8=65, ~3081=26...(92) HB2 LYS 43 - HE2 LYS 43 poor 16 82 20 - 3.4-5.5 HB2 LYS 43 - HE3 LYS 43 far 12 83 15 - 3.2-4.9 HB2 LYS 16 - HE2 LYS 20 poor 12 48 25 - 3.4-8.7 HB2 LYS 16 - HE3 LYS 20 poor 10 48 20 - 3.2-8.4 HB2 LYS 43 - HE2 LYS 40 far 7 67 10 - 3.6-7.6 HB2 LYS 43 - HE3 LYS 40 far 6 59 10 - 3.9-8.4 HB3 LYS 16 - HE3 LYS 20 far 3 50 5 - 4.2-9.9 HB3 LYS 16 - HE2 LYS 20 far 0 50 0 - 4.3-9.9 HB3 LYS 43 - HE2 LYS 40 far 0 81 0 - 4.6-9.0 HB3 LYS 43 - HE3 LYS 40 far 0 72 0 - 5.0-9.7 HB2 LYS 43 - HE3 LYS 39 far 0 80 0 - 5.7-9.9 HB2 LYS 43 - HE2 LYS 39 far 0 83 0 - 5.8-10.6 HB2 LEU 45 - HE3 LYS 73 far 0 92 0 - 6.2-14.2 HB3 LYS 43 - HE3 LYS 39 far 0 94 0 - 6.2-10.7 HB2 LEU 45 - HE2 LYS 73 far 0 87 0 - 6.3-13.0 HB2 LEU 45 - HE2 LYS 43 far 0 90 0 - 6.5-10.0 HB3 LYS 43 - HE2 LYS 39 far 0 96 0 - 6.6-11.7 HB2 LYS 44 - HE2 LYS 40 far 0 54 0 - 6.7-11.1 HB2 LEU 45 - HE3 LYS 43 far 0 91 0 - 6.7-10.8 HG LEU 45 - HE3 LYS 43 far 0 86 0 - 6.8-10.7 HG LEU 45 - HE2 LYS 43 far 0 85 0 - 6.8-10.0 HB3 LYS 44 - HE2 LYS 40 far 0 70 0 - 7.1-11.7 HB2 LYS 44 - HE3 LYS 40 far 0 47 0 - 7.1-10.9 HB ILE 71 - HE3 LYS 73 far 0 100 0 - 7.1-10.2 HB3 LYS 44 - HE3 LYS 40 far 0 62 0 - 7.5-11.6 HB ILE 71 - HE2 LYS 73 far 0 97 0 - 7.6-10.7 HB2 LYS 44 - HE2 LYS 43 far 0 68 0 - 7.6-10.2 HB2 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.7-13.4 HG LEU 45 - HE3 LYS 73 far 0 87 0 - 7.9-15.4 HG LEU 45 - HE2 LYS 73 far 0 82 0 - 7.9-14.1 HB2 LYS 44 - HE3 LYS 43 far 0 69 0 - 7.9-10.0 QE MET 67 - HE2 LYS 39 far 0 80 0 - 8.0-11.0 HB3 LYS 44 - HE3 LYS 43 far 0 86 0 - 8.2-10.7 HB3 LYS 44 - HE2 LYS 43 far 0 85 0 - 8.2-10.9 QE MET 67 - HE3 LYS 39 far 0 77 0 - 8.3-10.5 HB2 LYS 73 - HE2 LYS 43 far 0 99 0 - 8.3-13.8 HB3 LYS 73 - HE3 LYS 43 far 0 100 0 - 8.4-14.0 HB3 LYS 43 - HE2 LYS 73 far 0 93 0 - 8.9-15.9 HB3 LYS 73 - HE2 LYS 43 far 0 99 0 - 9.0-13.7 QE MET 67 - HE2 LYS 40 far 0 64 0 - 9.2-11.4 QE MET 67 - HE3 LYS 43 far 0 80 0 - 9.2-12.7 HG LEU 45 - HE2 LYS 40 far 0 70 0 - 9.2-12.8 HG LEU 45 - HE3 LYS 40 far 0 62 0 - 9.4-12.8 HB2 LYS 43 - HE2 LYS 73 far 0 78 0 - 9.4-15.9 HB3 LYS 43 - HE3 LYS 73 far 0 97 0 - 9.5-16.7 QE MET 67 - HE3 LYS 73 far 0 81 0 - 9.7-13.9 QE MET 67 - HE3 LYS 40 far 0 56 0 - 9.8-11.7 QE MET 67 - HE2 LYS 73 far 0 75 0 - 9.8-13.5 HB2 LYS 49 - HE2 LYS 43 far 0 98 0 - 9.8-17.1 HB2 LYS 43 - HE3 LYS 73 far 0 84 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 5207 from cnoeabs.peaks (1.60, 2.98, 41.78 ppm; 3.50 A increased from 2.95 A): 2 out of 17 assignments used, quality = 0.97: * HG2 LYS 73 + HE3 LYS 73 OK 85 100 85 100 2.1-3.7 1.8/5198=83, 3.8=79...(89) HG2 LYS 73 + HE2 LYS 73 OK 83 97 85 100 2.1-3.9 3.8=79, ~5198=55...(95) HG2 LYS 44 - HE2 LYS 40 far 0 61 0 - 4.4-11.3 HD2 LYS 19 - HE2 LYS 20 far 0 67 0 - 4.5-11.3 HG2 LYS 44 - HE3 LYS 40 far 0 53 0 - 4.9-11.1 HD3 LYS 19 - HE3 LYS 20 far 0 67 0 - 5.2-10.3 HD3 LYS 19 - HE2 LYS 20 far 0 67 0 - 5.2-9.8 HD2 LYS 19 - HE3 LYS 20 far 0 67 0 - 5.3-11.8 HG3 LYS 19 - HE2 LYS 20 far 0 68 0 - 5.8-10.2 HG2 LYS 44 - HE2 LYS 43 far 0 75 0 - 6.0-9.9 HG2 LYS 44 - HE3 LYS 43 far 0 76 0 - 6.0-9.9 HG3 LYS 19 - HE3 LYS 20 far 0 68 0 - 6.3-10.6 HG2 LYS 73 - HE3 LYS 43 far 0 100 0 - 8.2-12.7 HG2 LYS 73 - HE2 LYS 43 far 0 99 0 - 8.3-12.8 HG2 LYS 44 - HE3 LYS 39 far 0 74 0 - 8.9-13.0 HG2 LYS 44 - HE2 LYS 39 far 0 76 0 - 8.9-13.4 HG2 LYS 73 - HE3 LYS 39 far 0 99 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 5208 from cnoeabs.peaks (1.48, 2.98, 41.78 ppm; 3.58 A increased from 2.86 A): 4 out of 20 assignments used, quality = 0.98: HG3 LYS 73 + HE2 LYS 73 OK 73 97 75 100 2.3-4.2 3.8=84, 5170/2.9=51...(96) HG3 LYS 20 + HE2 LYS 20 OK 68 68 100 100 2.4-3.7 3.9=78, 3081/1.8=32...(78) * HG3 LYS 73 + HE3 LYS 73 OK 65 100 65 100 2.1-4.2 3.8=84, 5170/2.9=51...(93) HG3 LYS 20 + HE3 LYS 20 OK 51 68 75 100 2.1-3.7 3.9=78, 3081/1.8=40...(78) HB2 LEU 74 - HE3 LYS 73 far 0 87 0 - 3.8-9.7 HB2 LEU 74 - HE2 LYS 73 far 0 82 0 - 4.5-9.6 HB3 LEU 38 - HE2 LYS 39 far 0 69 0 - 6.7-10.1 HB3 LEU 45 - HE3 LYS 73 far 0 96 0 - 7.4-15.1 HB3 LEU 38 - HE3 LYS 39 far 0 66 0 - 7.4-10.0 HB3 LEU 45 - HE2 LYS 73 far 0 91 0 - 7.6-14.1 HG3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.6-13.7 HB3 LEU 45 - HE2 LYS 43 far 0 94 0 - 8.2-11.6 HB3 LEU 38 - HE2 LYS 40 far 0 54 0 - 8.3-11.8 HB3 LEU 45 - HE3 LYS 43 far 0 95 0 - 8.5-12.5 HG3 LYS 73 - HE2 LYS 43 far 0 99 0 - 8.7-13.5 HG3 LYS 73 - HE3 LYS 39 far 0 99 0 - 9.5-15.2 HB2 LEU 74 - HE3 LYS 43 far 0 86 0 - 9.5-14.4 HB2 LEU 74 - HE2 LYS 43 far 0 85 0 - 9.7-14.3 HB3 LEU 38 - HE3 LYS 40 far 0 47 0 - 9.9-11.7 HB3 LEU 38 - HE3 LYS 43 far 0 69 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 5209 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 16 out of 68 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 83 99 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 43 + HE3 LYS 43 OK 58 98 65 92 2.3-3.0 3.0=63, 2.9/3884=12...(37) * HD2 LYS 73 + HE3 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=67, 3.0/5198=33...(28) HD2 LYS 73 + HE2 LYS 73 OK 54 97 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD3 LYS 73 + HE2 LYS 73 OK 50 97 55 94 2.3-3.0 2.9=67, 5169/3.8=18...(31) HD2 LYS 40 + HE3 LYS 40 OK 50 77 70 93 2.3-3.0 3.0=63, 3701/5.0=13...(27) HD2 LYS 20 + HE3 LYS 20 OK 50 67 80 93 2.3-3.0 3.0=63, 3069/3.9=10...(38) HD3 LYS 20 + HE2 LYS 20 OK 47 68 75 93 2.3-3.0 3.0=63, 3069/3.9=16...(45) HD3 LYS 73 + HE3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=67, 3.0/5198=33...(28) HD3 LYS 43 + HE3 LYS 43 OK 40 100 45 90 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 43 + HE2 LYS 43 OK 40 97 45 92 2.5-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 40 + HE2 LYS 40 OK 39 86 50 91 2.3-3.0 3.0=63, 2.9/3723=18...(26) HD3 LYS 20 + HE3 LYS 20 OK 28 68 45 92 2.4-3.0 3.0=63, 3069/3.9=16...(38) HD2 LYS 20 + HE2 LYS 20 OK 28 67 45 92 2.4-3.0 3.0=63, 3.0/3080=12...(45) HD3 LYS 40 + HE2 LYS 40 OK 27 85 35 91 2.4-3.0 3.0=63, 3694/3.9=24...(26) HD3 LYS 40 + HE3 LYS 40 OK 25 76 35 92 2.3-3.0 3.0=63, 3694/3.9=24...(27) HG3 LYS 39 - HE2 LYS 39 poor 20 80 25 - 2.3-4.2 HG LEU 74 - HE3 LYS 73 far 6 61 10 - 1.9-8.5 HG3 LYS 39 - HE3 LYS 39 far 4 77 5 - 2.6-4.2 HG LEU 74 - HE2 LYS 73 far 3 57 5 - 2.4-8.5 HD2 LYS 43 - HE3 LYS 39 far 0 96 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 98 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 99 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 50 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 97 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 98 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 64 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 78 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 44 0 - 4.6-12.8 HD2 LYS 40 - HE2 LYS 39 far 0 99 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 100 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 68 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 83 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 68 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 99 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 80 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 87 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 74 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 99 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 57 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 66 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 56 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 99 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 66 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 94 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 50 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 79 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 98 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 99 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 89 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 65 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 73 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 64 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 71 0 - 7.1-11.5 HG LEU 74 - HE3 LYS 43 far 0 61 0 - 7.1-12.0 HD2 LYS 43 - HE2 LYS 73 far 0 94 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 97 0 - 7.1-15.7 HG LEU 74 - HE2 LYS 43 far 0 60 0 - 7.3-12.1 HD3 LYS 43 - HE3 LYS 73 far 0 100 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 99 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 98 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 66 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 66 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 100 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 99 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 93 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 65 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 5210 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.55 A increased from 2.40 A): 16 out of 64 assignments used, quality = 1.00: HD3 LYS 43 + HE2 LYS 43 OK 83 99 90 92 2.3-3.0 3.0=63, 2.9/3884=13...(40) HD2 LYS 43 + HE3 LYS 43 OK 59 98 65 92 2.3-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 73 + HE3 LYS 73 OK 56 100 60 93 2.3-3.0 2.9=67, 3.0/5198=33...(28) HD2 LYS 73 + HE2 LYS 73 OK 54 97 60 93 2.3-3.0 2.9=67, ~5198=15...(31) HD2 LYS 40 + HE3 LYS 40 OK 50 78 70 93 2.3-3.0 3.0=63, 3701/5.0=13...(27) HD3 LYS 73 + HE2 LYS 73 OK 50 97 55 94 2.3-3.0 2.9=67, 5170/3.8=18...(31) HD2 LYS 20 + HE3 LYS 20 OK 49 66 80 93 2.3-3.0 3.0=63, 3069/3.9=10...(38) HD3 LYS 20 + HE2 LYS 20 OK 47 67 75 93 2.3-3.0 3.0=63, 3069/3.9=16...(45) * HD3 LYS 73 + HE3 LYS 73 OK 42 100 45 93 2.3-3.0 2.9=67, 3.0/5198=33...(28) HD2 LYS 43 + HE2 LYS 43 OK 40 98 45 92 2.5-3.0 3.0=63, 2.9/3884=13...(40) HD3 LYS 43 + HE3 LYS 43 OK 40 100 45 90 2.5-3.0 3.0=63, 2.9/3884=12...(37) HD2 LYS 40 + HE2 LYS 40 OK 39 86 50 91 2.3-3.0 3.0=63, 2.9/3723=18...(26) HD3 LYS 20 + HE3 LYS 20 OK 28 67 45 92 2.4-3.0 3.0=63, 3069/3.9=16...(38) HD2 LYS 20 + HE2 LYS 20 OK 27 66 45 92 2.4-3.0 3.0=63, 3.0/3080=12...(45) HD3 LYS 40 + HE2 LYS 40 OK 27 86 35 91 2.4-3.0 3.0=63, 3694/3.9=24...(26) HD3 LYS 40 + HE3 LYS 40 OK 25 77 35 93 2.3-3.0 3.0=63, 3694/3.9=24...(27) HG3 LYS 39 - HE2 LYS 39 poor 19 76 25 - 2.3-4.2 HG3 LYS 39 - HE3 LYS 39 far 4 74 5 - 2.6-4.2 HD2 LYS 43 - HE3 LYS 39 far 0 97 0 - 3.1-9.9 HD2 LYS 43 - HE2 LYS 39 far 0 98 0 - 3.8-11.1 HD3 LYS 43 - HE3 LYS 39 far 0 99 0 - 4.0-9.5 HD3 LYS 44 - HE2 LYS 40 far 0 47 0 - 4.2-13.2 HD3 LYS 40 - HE3 LYS 39 far 0 98 0 - 4.3-11.0 HD2 LYS 40 - HE3 LYS 39 far 0 98 0 - 4.3-11.3 HG3 LYS 39 - HE2 LYS 40 far 0 61 0 - 4.4-10.4 HD3 LYS 43 - HE3 LYS 40 far 0 78 0 - 4.6-11.4 HD3 LYS 44 - HE3 LYS 40 far 0 41 0 - 4.6-12.8 HD2 LYS 40 - HE2 LYS 39 far 0 100 0 - 4.7-11.1 HD3 LYS 43 - HE2 LYS 39 far 0 100 0 - 4.7-10.7 HD2 LYS 16 - HE3 LYS 20 far 0 68 0 - 4.9-10.8 HD2 LYS 43 - HE2 LYS 40 far 0 84 0 - 4.9-10.7 HD2 LYS 16 - HE2 LYS 20 far 0 68 0 - 5.2-10.6 HD3 LYS 40 - HE2 LYS 39 far 0 99 0 - 5.3-10.9 HG3 LYS 39 - HE3 LYS 43 far 0 76 0 - 5.4-9.6 HD3 LYS 43 - HE2 LYS 40 far 0 87 0 - 5.5-11.1 HD2 LYS 43 - HE3 LYS 40 far 0 75 0 - 5.5-10.6 HD2 LYS 40 - HE3 LYS 43 far 0 100 0 - 5.9-10.5 HD2 LYS 44 - HE2 LYS 40 far 0 54 0 - 5.9-12.6 HD3 LYS 16 - HE2 LYS 20 far 0 65 0 - 5.9-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 53 0 - 6.0-9.7 HD2 LYS 40 - HE2 LYS 43 far 0 99 0 - 6.1-11.0 HD3 LYS 16 - HE3 LYS 20 far 0 65 0 - 6.1-10.9 HG12 ILE 71 - HE3 LYS 73 far 0 92 0 - 6.3-10.7 HD2 LYS 44 - HE3 LYS 40 far 0 47 0 - 6.3-12.3 HG3 LYS 39 - HE2 LYS 43 far 0 75 0 - 6.3-9.6 HD3 LYS 40 - HE2 LYS 43 far 0 99 0 - 6.5-10.7 HD3 LYS 40 - HE3 LYS 43 far 0 99 0 - 6.6-10.3 HG12 ILE 71 - HE2 LYS 73 far 0 87 0 - 6.6-10.4 HD3 LYS 44 - HE3 LYS 43 far 0 61 0 - 6.7-12.1 HD2 LYS 44 - HE3 LYS 43 far 0 69 0 - 6.9-11.4 HD3 LYS 44 - HE2 LYS 43 far 0 60 0 - 6.9-12.0 HD2 LYS 44 - HE2 LYS 43 far 0 68 0 - 7.1-11.5 HD2 LYS 43 - HE2 LYS 73 far 0 95 0 - 7.1-15.7 HD3 LYS 43 - HE2 LYS 73 far 0 97 0 - 7.1-15.7 HD3 LYS 43 - HE3 LYS 73 far 0 100 0 - 7.6-14.7 HD3 LYS 73 - HE2 LYS 43 far 0 99 0 - 7.7-15.2 HD3 LYS 73 - HE3 LYS 43 far 0 100 0 - 7.8-15.5 HD2 LYS 43 - HE3 LYS 73 far 0 99 0 - 7.8-15.5 HD2 LYS 17 - HE3 LYS 20 far 0 67 0 - 8.2-11.9 HD2 LYS 17 - HE2 LYS 20 far 0 67 0 - 8.4-11.4 HD2 LYS 73 - HE3 LYS 43 far 0 100 0 - 8.9-15.7 HD2 LYS 73 - HE2 LYS 43 far 0 99 0 - 9.0-15.7 HG12 ILE 71 - HE3 LYS 43 far 0 91 0 - 9.7-14.2 HD3 LYS 44 - HE2 LYS 39 far 0 61 0 - 9.8-15.7 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 5 assignments used, quality = 1.00: * HB2 LEU 74 + HA LEU 74 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 LYS 73 + HA LEU 74 OK 20 87 25 92 3.8-6.4 ~7671=43, 7672/2.9=32...(13) HG2 LYS 49 - HA LEU 74 far 0 96 0 - 7.7-15.8 HG3 LYS 49 - HA LEU 74 far 0 96 0 - 8.3-16.6 HG LEU 4 - HA LEU 74 far 0 77 0 - 9.2-9.8 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 2.4-2.7 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): 1 out of 3 assignments used, quality = 1.00: * HG LEU 74 + HA LEU 74 OK 100 100 100 100 2.7-3.1 3.7=100 HD2 LYS 73 - HA LEU 74 poor 15 61 25 - 3.0-6.9 HG12 ILE 71 - HA LEU 74 far 0 92 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 5218 from cnoeabs.peaks (0.82, 4.23, 55.20 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 74 + HA LEU 74 OK 100 100 100 100 2.0-2.7 5249=100, 5248/2.9=35...(12) ! QD1 LEU 74 - HA LEU 74 far 0 100 0 - 3.8-4.0 QG2 ILE 71 - HA LEU 74 far 0 100 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 5219 from cnoeabs.peaks (0.82, 4.23, 55.20 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 74 + HA LEU 74 OK 100 100 100 100 2.0-2.7 5249=100, 5248/2.9=35...(12) QD1 LEU 74 - HA LEU 74 far 0 100 0 - 3.8-4.0 QG2 ILE 71 - HA LEU 74 far 0 100 0 - 5.6-6.3 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 2.1-2.7 3.8=100 H GLU 69 - HB2 LEU 74 far 0 65 0 - 8.5-10.1 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 3.0-3.0 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 3 assignments used, quality = 1.00: * HG LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.4-2.6 3.0=100 HG12 ILE 71 - HB2 LEU 74 far 0 92 0 - 4.7-6.3 HD2 LYS 73 - HB2 LEU 74 far 0 61 0 - 4.9-8.1 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 2.0-2.4 3.1=100 QD2 LEU 74 + HB2 LEU 74 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 ILE 71 + HB2 LEU 74 OK 93 100 95 97 3.1-4.0 9789=77, 9797/9831=28...(13) 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 3.1-3.2 3.1=100 QD1 LEU 74 + HB2 LEU 74 OK 100 100 100 100 2.0-2.4 3.1=100 QG2 ILE 71 + HB2 LEU 74 OK 92 100 95 97 3.1-4.0 9789=77, 9797/9831=28...(13) 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 1 assignment used, quality = 1.00: * H LEU 74 + HB3 LEU 74 OK 100 100 100 100 3.4-3.6 3.8=100 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 2.4-2.7 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): 1 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 far 0 87 0 - 5.0-7.8 HG2 LYS 49 - HB3 LEU 74 far 0 96 0 - 6.6-15.2 HG LEU 4 - HB3 LEU 74 far 0 77 0 - 6.6-7.7 HG3 LYS 49 - HB3 LEU 74 far 0 96 0 - 7.6-15.3 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): 2 out of 3 assignments used, quality = 1.00: * HG LEU 74 + HB3 LEU 74 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 71 + HB3 LEU 74 OK 22 92 25 98 6.0-7.7 ~9789=68, 3.9/9772=68...(8) HD2 LYS 73 - HB3 LEU 74 poor 15 61 25 - 5.3-8.9 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 2.3-2.7 3.1=100 QD2 LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.0-2.3 3.1=100 QG2 ILE 71 + HB3 LEU 74 OK 25 100 25 98 4.2-5.4 9789/1.8=71, 3.2/9772=35...(13) 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 2.0-2.3 3.1=100 QD1 LEU 74 + HB3 LEU 74 OK 100 100 100 100 2.3-2.7 3.1=100 QG2 ILE 71 + HB3 LEU 74 OK 25 100 25 98 4.2-5.4 9789/1.8=70, 3.2/9772=35...(13) 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 1.9-3.2 1490=100, 5248/2.1=75...(12) H GLU 69 - HG LEU 74 far 0 65 0 - 8.7-9.6 Violated in 0 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 2.7-3.1 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 74 + HG LEU 74 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 73 - HG LEU 74 poor 8 87 25 35 2.8-6.1 7672/1490=25, 5215/3.7=8...(4) HG LEU 4 - HG LEU 74 far 0 77 0 - 8.2-8.9 HG2 LYS 49 - HG LEU 74 far 0 96 0 - 8.5-15.5 HG3 LYS 49 - HG LEU 74 far 0 96 0 - 9.1-16.7 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 3.0-3.0 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): 2 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 far 0 100 0 - 4.7-5.4 Violated in 0 structures by 0.00 A. Peak 5240 from cnoeabs.peaks (0.82, 1.70, 26.27 ppm; 3.21 A): 2 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 far 0 100 0 - 4.7-5.4 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 3.1-4.0 458/2.1=95, 5248/2.1=80...(11) H GLU 69 - QD1 LEU 74 far 0 65 0 - 7.3-8.0 Violated in 0 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 3.8-4.0 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): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 74 + QD1 LEU 74 OK 100 100 100 100 2.0-2.4 3.1=100 HG3 LYS 73 - QD1 LEU 74 far 0 87 0 - 4.0-6.5 HG LEU 4 - QD1 LEU 74 far 0 77 0 - 5.1-5.6 HG2 LYS 49 - QD1 LEU 74 far 0 96 0 - 6.1-12.0 HG3 LYS 49 - QD1 LEU 74 far 0 96 0 - 6.9-13.0 HG2 LYS 39 - QD1 LEU 74 far 0 94 0 - 8.7-9.9 HG3 ARG 30 - QD1 LEU 74 far 0 81 0 - 8.8-11.3 HB3 LEU 38 - QD1 LEU 74 far 0 99 0 - 8.9-10.1 HB3 LEU 6 - QD1 LEU 74 far 0 96 0 - 9.6-10.3 HD2 LYS 53 - QD1 LEU 74 far 0 81 0 - 9.8-13.5 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 2.3-2.7 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): 1 out of 8 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 poor 18 92 20 - 3.3-4.1 HD2 LYS 73 - QD1 LEU 74 far 0 61 0 - 5.0-7.5 HD3 LYS 44 - QD1 LEU 74 far 0 100 0 - 7.1-10.6 HD2 LYS 44 - QD1 LEU 74 far 0 100 0 - 7.8-10.0 HB ILE 56 - QD1 LEU 74 far 0 77 0 - 8.2-8.9 HG3 LYS 39 - QD1 LEU 74 far 0 99 0 - 9.6-10.6 HD2 LYS 39 - QD1 LEU 74 far 0 100 0 - 9.9-11.6 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 3.3-4.0 458/2.1=90, 2.9/5249=79...(8) H GLU 69 - QD2 LEU 74 far 0 65 0 - 9.3-9.9 Violated in 1 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 = 0.98: * HA LEU 74 + QD2 LEU 74 OK 98 100 100 98 2.0-2.7 5219=85, 2.9/5248=31...(12) Violated in 0 structures by 0.00 A. Peak 5250 from cnoeabs.peaks (1.47, 0.82, 21.88 ppm; 3.55 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 74 + QD2 LEU 74 OK 100 100 100 100 3.1-3.2 3.1=100 HG3 LYS 73 - QD2 LEU 74 far 0 87 0 - 4.1-6.8 HG2 LYS 49 - QD2 LEU 74 far 0 96 0 - 5.2-10.9 HG3 LYS 49 - QD2 LEU 74 far 0 96 0 - 5.6-12.0 HG LEU 4 - QD2 LEU 74 far 0 77 0 - 6.8-7.7 HG2 LYS 39 - QD2 LEU 74 far 0 94 0 - 9.7-10.5 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 2.0-2.3 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): 1 out of 5 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 far 0 61 0 - 3.5-7.5 HG12 ILE 71 - QD2 LEU 74 far 0 92 0 - 6.0-6.4 HD3 LYS 44 - QD2 LEU 74 far 0 100 0 - 7.4-10.8 HD2 LYS 44 - QD2 LEU 74 far 0 100 0 - 7.7-10.3 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 2.3-2.5 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 - 7.9-9.9 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 2.9-3.0 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 2.9-2.9 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 3.0-3.0 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 2.4-2.5 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 2.4-2.7 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 3.0-3.0 3.0=100 HA PHE 51 - HB2 TYR 76 far 0 57 0 - 8.6-10.8 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 2.3-2.4 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 3.6-3.8 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 2.4-2.5 3.0=100 HA PHE 51 - HB3 TYR 76 far 0 57 0 - 7.5-9.7 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 2 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 - 9.4-10.1 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 2.7-2.8 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 - 7.0-8.0 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 3.2-3.4 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 2.0-2.2 3.7=100 HA PHE 51 - QD TYR 76 far 0 52 0 - 6.5-8.5 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 2.3-2.4 2.5=100 HG2 MET 42 - QD TYR 76 far 0 90 0 - 7.5-9.3 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 2.7-2.8 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 - 7.0-8.0 QD PHE 79 - QD TYR 76 far 0 95 0 - 8.8-9.0 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 3 assignments used, quality = 1.00: * HB2 LYS 77 + HA LYS 77 OK 100 100 100 100 2.4-2.7 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 - 7.4-8.5 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 3 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 2.4-2.7 3.0=100 HG LEU 127 - HA LYS 77 far 0 70 0 - 7.4-8.5 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 3.6-3.9 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 2.3-3.2 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 = 0.96: * HD2 LYS 77 + HA LYS 77 OK 87 100 100 87 2.0-3.6 486/481=55, 5360=55, 1.8/5370=34 HD3 LYS 77 + HA LYS 77 OK 72 100 100 72 2.5-3.7 5370=45, 1.8/5360=42 HB3 LEU 127 - HA LYS 77 far 0 90 0 - 6.3-7.8 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 = 0.96: HD2 LYS 77 + HA LYS 77 OK 87 100 100 87 2.0-3.6 487/481=55, 5360=55, 1.8/5370=34 * HD3 LYS 77 + HA LYS 77 OK 72 100 100 72 2.5-3.7 5370=45, 1.8/5360=42 HB3 LEU 127 - HA LYS 77 far 0 92 0 - 6.3-7.8 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 2.2-3.5 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 - 9.6-9.9 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 2.4-2.7 3.0=100 HA LYS 77 + HB3 LYS 77 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 79 - HB2 LYS 77 far 0 61 0 - 6.4-8.3 HA PHE 79 - HB3 LYS 77 far 0 61 0 - 7.1-8.0 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 2.3-2.6 3.0=100 HG2 LYS 77 + HB3 LYS 77 OK 100 100 100 100 2.3-2.5 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 2.4-3.0 3.0=100 HG3 LYS 77 + HB3 LYS 77 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5325 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.76 A increased from 3.16 A): 4 out of 7 assignments used, quality = 1.00: HD3 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 * HD2 LYS 77 + HB2 LYS 77 OK 85 100 85 100 2.3-3.9 3.6=100 HD3 LYS 77 + HB3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HD2 LYS 77 + HB3 LYS 77 OK 65 100 65 100 3.2-4.2 3.6=100 HB3 LEU 127 - HB3 LYS 77 far 4 89 5 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 90 0 - 3.9-5.5 HG2 LYS 16 - HB3 LYS 19 far 0 79 0 - 5.5-6.2 Violated in 0 structures by 0.00 A. Peak 5326 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.76 A increased from 3.16 A): 4 out of 7 assignments used, quality = 1.00: * HD3 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 HD2 LYS 77 + HB2 LYS 77 OK 85 100 85 100 2.3-3.9 3.6=100 HD3 LYS 77 + HB3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HD2 LYS 77 + HB3 LYS 77 OK 65 100 65 100 3.2-4.2 3.6=100 HB3 LEU 127 - HB3 LYS 77 far 5 91 5 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 92 0 - 3.9-5.5 HG2 LYS 16 - HB3 LYS 19 far 0 79 0 - 5.5-6.2 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 2.2-3.5 4.0=100 H GLU 13 - HB3 LYS 19 far 0 87 0 - 9.6-9.9 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 2.4-2.7 3.0=100 HA PHE 79 - HB2 LYS 77 far 0 61 0 - 6.4-8.3 HA PHE 79 - HB3 LYS 77 far 0 61 0 - 7.1-8.0 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 2.3-2.5 3.0=100 HG2 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.3-2.6 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 2.5-3.0 3.0=100 HG3 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5335 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.76 A increased from 3.16 A): 4 out of 7 assignments used, quality = 1.00: HD3 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 HD2 LYS 77 + HB2 LYS 77 OK 85 100 85 100 2.3-3.9 3.6=100 HD3 LYS 77 + HB3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 * HD2 LYS 77 + HB3 LYS 77 OK 65 100 65 100 3.2-4.2 3.6=100 HB3 LEU 127 - HB3 LYS 77 far 4 90 5 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 89 0 - 3.9-5.5 HG2 LYS 16 - HB3 LYS 19 far 0 86 0 - 5.5-6.2 Violated in 0 structures by 0.00 A. Peak 5336 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.76 A increased from 3.16 A): 4 out of 7 assignments used, quality = 1.00: HD3 LYS 77 + HB2 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 HD2 LYS 77 + HB2 LYS 77 OK 85 100 85 100 2.3-3.9 3.6=100 * HD3 LYS 77 + HB3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HD2 LYS 77 + HB3 LYS 77 OK 65 100 65 100 3.2-4.2 3.6=100 HB3 LEU 127 - HB3 LYS 77 far 5 92 5 - 3.8-5.3 HB3 LEU 127 - HB2 LYS 77 far 0 91 0 - 3.9-5.5 HG2 LYS 16 - HB3 LYS 19 far 0 85 0 - 5.5-6.2 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 3.8-4.6 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): 1 out of 3 assignments used, quality = 1.00: * HA LYS 77 + HG2 LYS 77 OK 100 100 100 100 3.6-3.9 4.0=100 HA PHE 79 - HG2 LYS 77 far 0 61 0 - 6.7-8.5 HA ASN 88 - HG2 LYS 94 far 0 30 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 5341 from cnoeabs.peaks (1.84, 1.35, 24.49 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-2.5 3.0=100 HG LEU 127 - HG2 LYS 77 far 0 77 0 - 4.1-5.3 HB2 ARG 105 - HG2 LYS 94 far 0 28 0 - 7.0-9.6 HD2 LYS 123 - HG2 LYS 77 far 0 100 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 5342 from cnoeabs.peaks (1.84, 1.35, 24.49 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.3-2.6 3.0=100 HG LEU 127 - HG2 LYS 77 far 0 70 0 - 4.1-5.3 HB2 ARG 105 - HG2 LYS 94 far 0 25 0 - 7.0-9.6 HD2 LYS 123 - HG2 LYS 77 far 0 100 0 - 7.4-9.5 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 5 assignments used, quality = 1.00: * HD2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 127 - HG2 LYS 77 far 4 90 5 - 3.0-5.4 HG LEU 90 - HG2 LYS 94 far 0 26 0 - 4.2-6.2 HB2 LEU 82 - HG2 LYS 94 far 0 41 0 - 4.7-7.4 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 2.4-3.0 3.0=100 HD2 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 127 - HG2 LYS 77 far 5 92 5 - 3.0-5.4 HG LEU 90 - HG2 LYS 94 far 0 25 0 - 4.2-6.2 HB2 LEU 82 - HG2 LYS 94 far 0 41 0 - 4.7-7.4 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 2.2-3.7 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 2 assignments used, quality = 1.00: * HE3 LYS 77 + HG2 LYS 77 OK 100 100 100 100 2.1-3.0 3.7=100 HB2 ASP 84 - HG2 LYS 94 far 0 31 0 - 8.3-10.7 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 3.0-4.4 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): 1 out of 2 assignments used, quality = 1.00: * HA LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.3-3.2 4.0=100 HA PHE 79 - HG3 LYS 77 far 0 61 0 - 5.2-8.4 Violated in 0 structures by 0.00 A. Peak 5351 from cnoeabs.peaks (1.84, 1.17, 24.49 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 127 - HG3 LYS 77 far 0 77 0 - 5.7-7.0 HD2 LYS 123 - HG3 LYS 77 far 0 100 0 - 7.7-10.7 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 4 assignments used, quality = 1.00: * HB3 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 77 + HG3 LYS 77 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 127 - HG3 LYS 77 far 0 70 0 - 5.7-7.0 HD2 LYS 123 - HG3 LYS 77 far 0 100 0 - 7.7-10.7 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 2.3-2.7 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 0 90 0 - 4.6-7.0 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 2.3-2.7 3.0=100 HB3 LEU 127 - HG3 LYS 77 far 0 92 0 - 4.6-7.0 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 2.6-4.1 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 2.7-3.9 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 = 0.95: * HA LYS 77 + HD2 LYS 77 OK 85 100 100 85 2.0-3.6 481/486=53, 5315=52, 5316/1.8=32 HA LYS 77 + HD3 LYS 77 OK 69 100 100 69 2.5-3.7 5316=43, 5315/1.8=39 HA PHE 79 - HD2 LYS 77 far 0 61 0 - 4.5-6.8 HA PHE 79 - HD3 LYS 77 far 0 61 0 - 5.0-7.8 Violated in 0 structures by 0.00 A. Peak 5361 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 95 100 95 100 3.2-4.2 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HG LEU 127 - HD3 LYS 77 far 0 77 0 - 5.5-6.9 HG LEU 127 - HD2 LYS 77 far 0 77 0 - 6.5-7.5 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 7.1-9.9 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 5362 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 8 assignments used, quality = 1.00: HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 * HB3 LYS 77 + HD2 LYS 77 OK 95 100 95 100 3.2-4.2 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HG LEU 127 - HD3 LYS 77 far 0 69 0 - 5.5-6.9 HG LEU 127 - HD2 LYS 77 far 0 70 0 - 6.5-7.5 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 7.1-9.9 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 7.6-9.7 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 2.6-3.0 3.0=100 HG2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.4-3.0 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 2.3-2.7 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 = 0.95: HA LYS 77 + HD2 LYS 77 OK 85 100 100 85 2.0-3.6 481/487=53, 5316=52, 5316/1.8=32 * HA LYS 77 + HD3 LYS 77 OK 69 100 100 69 2.5-3.7 5316=43, 5315/1.8=39 HA PHE 79 - HD2 LYS 77 far 0 61 0 - 4.5-6.8 HA PHE 79 - HD3 LYS 77 far 0 61 0 - 5.0-7.8 Violated in 0 structures by 0.00 A. Peak 5371 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 95 100 95 100 3.2-4.2 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HG LEU 127 - HD3 LYS 77 far 0 77 0 - 5.5-6.9 HG LEU 127 - HD2 LYS 77 far 0 77 0 - 6.5-7.5 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 7.1-9.9 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 5372 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 8 assignments used, quality = 1.00: HB2 LYS 77 + HD3 LYS 77 OK 100 100 100 100 2.1-3.7 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.3-3.9 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 95 100 95 100 3.2-4.2 3.6=100 * HB3 LYS 77 + HD3 LYS 77 OK 70 100 70 100 2.2-4.2 3.6=100 HG LEU 127 - HD3 LYS 77 far 0 70 0 - 5.5-6.9 HG LEU 127 - HD2 LYS 77 far 0 69 0 - 6.5-7.5 HD2 LYS 123 - HD3 LYS 77 far 0 100 0 - 7.1-9.9 HD2 LYS 123 - HD2 LYS 77 far 0 100 0 - 7.6-9.7 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 2.4-3.0 3.0=100 HG2 LYS 77 + HD2 LYS 77 OK 100 100 100 100 2.6-3.0 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 2.3-2.7 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 4.1-5.2 6.0=100 HA PHE 79 + HE2 LYS 77 OK 33 61 65 82 4.3-7.8 5.6/10808=64, 7.2/10809=47 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 2.2-3.7 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 2.6-4.1 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 - 3.7-8.4 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 - 3.7-8.4 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): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.1-4.8 4.7=100 HB3 LYS 77 + HE3 LYS 77 OK 100 100 100 100 3.4-4.7 4.7=100 HG LEU 127 + HE3 LYS 77 OK 73 77 95 100 4.2-5.8 2.1/11282=74...(8) HD2 LYS 123 - HE3 LYS 77 far 5 100 5 - 5.1-8.8 Violated in 0 structures by 0.00 A. Peak 5392 from cnoeabs.peaks (1.84, 2.58, 41.93 ppm; 5.21 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LYS 77 + HE3 LYS 77 OK 100 100 100 100 3.4-4.7 4.7=100 HB2 LYS 77 + HE3 LYS 77 OK 100 100 100 100 2.1-4.8 4.7=100 HG LEU 127 + HE3 LYS 77 OK 66 70 95 100 4.2-5.8 2.1/11282=74...(8) HD2 LYS 123 - HE3 LYS 77 far 5 100 5 - 5.1-8.8 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 2.1-3.0 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 2.7-3.9 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 0 90 0 - 4.4-7.1 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 0 92 0 - 4.4-7.1 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 3 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 - 5.3-7.4 HG LEU 55 - HA VAL 78 far 0 94 0 - 8.0-8.4 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 8 assignments used, quality = 1.00: * QG2 VAL 78 + HA VAL 78 OK 100 100 100 100 2.1-2.3 3.2=100 QD2 LEU 6 - HA VAL 78 far 0 92 0 - 6.1-7.0 QD1 LEU 6 - HA VAL 78 far 0 92 0 - 7.3-7.8 QD2 LEU 55 - HA VAL 78 far 0 89 0 - 8.2-8.8 QG1 VAL 117 - HA VAL 78 far 0 99 0 - 8.3-8.8 QD2 LEU 45 - HA VAL 78 far 0 100 0 - 8.7-9.8 QD2 LEU 81 - HA VAL 78 far 0 61 0 - 9.3-9.8 QG2 ILE 7 - HA VAL 78 far 0 61 0 - 9.8-10.2 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 2.4-2.6 3.2=100 QD1 ILE 5 + HA VAL 78 OK 55 94 95 61 3.3-4.0 494/491=29, 9055/4634=24...(6) 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 2.4-2.6 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 - 9.8-10.5 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): 1 out of 5 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 far 0 92 0 - 5.4-6.2 QD1 LEU 6 - HB VAL 78 far 0 92 0 - 6.6-7.2 QD2 LEU 45 - HB VAL 78 far 0 100 0 - 8.5-9.7 QD2 LEU 55 - HB VAL 78 far 0 90 0 - 9.2-9.8 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 - 5.8-6.2 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 2.8-3.2 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 2.1-2.3 3.2=100 HA ILE 7 - QG2 VAL 78 far 0 81 0 - 8.4-9.0 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 5 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 - 5.1-7.2 HG LEU 55 - QG2 VAL 78 far 0 94 0 - 6.9-7.5 HB3 LEU 70 - QG2 VAL 78 far 0 84 0 - 7.0-7.8 QB ALA 46 - QG2 VAL 78 far 0 97 0 - 8.3-8.9 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): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 78 + QG2 VAL 78 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 ILE 5 - QG2 VAL 78 far 0 94 0 - 4.2-4.8 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 3.6-3.8 4.0=100 H ILE 97 - QG1 VAL 78 far 0 100 0 - 9.9-11.1 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 2.4-2.6 3.2=100 HA ILE 7 - QG1 VAL 78 far 0 81 0 - 6.3-6.8 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 5 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 - 6.1-6.8 HG12 ILE 3 - QG1 VAL 78 far 0 99 0 - 6.8-8.6 HB3 LEU 70 - QG1 VAL 78 far 0 84 0 - 8.1-8.5 HG2 LYS 65 - QG1 VAL 78 far 0 96 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 5417 from cnoeabs.peaks (0.72, 0.61, 21.11 ppm; 2.68 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 78 + QG1 VAL 78 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 6 - QG1 VAL 78 far 0 92 0 - 3.1-3.8 QD1 LEU 6 - QG1 VAL 78 far 0 92 0 - 4.2-4.6 QD2 LEU 55 - QG1 VAL 78 far 0 90 0 - 6.0-6.7 QG1 VAL 117 - QG1 VAL 78 far 0 99 0 - 7.0-7.6 QD2 LEU 45 - QG1 VAL 78 far 0 100 0 - 7.0-8.1 QG2 ILE 7 - QG1 VAL 78 far 0 61 0 - 7.1-7.5 QD2 LEU 81 - QG1 VAL 78 far 0 61 0 - 7.1-7.6 QD1 ILE 57 - QG1 VAL 78 far 0 65 0 - 8.3-9.1 QG2 ILE 18 - QG1 VAL 78 far 0 97 0 - 8.4-8.9 QD2 LEU 63 - QG1 VAL 78 far 0 73 0 - 9.2-10.1 QD1 LEU 63 - QG1 VAL 78 far 0 73 0 - 9.6-10.1 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 2.4-2.4 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 3 assignments used, quality = 1.00: * HB3 PHE 79 + HA PHE 79 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 103 + HA PHE 79 OK 61 87 80 87 2.9-4.3 11014=43, 4.0/10687=43...(6) HG2 GLU 119 - HA PHE 79 far 0 100 0 - 9.5-12.4 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 3.2-3.2 3.7=100 QE TYR 102 - HA PHE 79 far 0 99 0 - 6.2-7.4 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 3.7-3.7 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 2.4-2.4 3.0=100 HA LYS 77 - HB2 PHE 79 far 0 61 0 - 8.2-8.3 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 50 87 65 89 3.2-4.8 11014/3.0=43...(7) HG2 GLU 119 - HB2 PHE 79 far 0 100 0 - 7.1-10.1 HB3 MET 121 - HB2 PHE 79 far 0 100 0 - 8.6-9.7 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 2.3-2.3 2.4=100 QE TYR 102 - HB2 PHE 79 far 0 99 0 - 8.4-9.5 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 2.6-2.7 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 3.0-3.0 3.0=100 HA LYS 77 - HB3 PHE 79 far 0 61 0 - 7.9-8.2 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 2.5-2.6 2.4=100 QE TYR 102 - HB3 PHE 79 far 0 99 0 - 8.5-9.6 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 - 8.2-9.5 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 1.9-2.1 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 3.2-3.2 3.7=100 HA LYS 77 + QD PHE 79 OK 56 61 100 91 5.6-6.1 4.9/4634=78, ~9915=33...(5) 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 2.3-2.3 2.4=100 HG3 LYS 2 - QD PHE 79 far 0 97 0 - 9.2-11.7 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 2.5-2.6 2.4=100 HB2 GLU 103 + QD PHE 79 OK 86 87 100 100 2.5-4.1 10206=73, 1.8/10212=68...(8) HG2 GLU 119 - QD PHE 79 far 0 100 0 - 6.5-9.2 HB3 MET 121 - QD PHE 79 far 0 100 0 - 7.4-8.1 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 2.4-2.5 3.0=100 HG3 ARG 105 - HA LEU 80 far 0 100 0 - 7.8-9.6 HB2 LEU 68 - HA LEU 80 far 0 98 0 - 8.0-8.4 HB3 LEU 82 - HA LEU 80 far 0 70 0 - 8.1-8.2 HB3 LYS 94 - HA LEU 80 far 0 65 0 - 9.3-11.2 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 3.0-3.0 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 7 assignments used, quality = 1.00: * HG LEU 80 + HA LEU 80 OK 99 100 100 99 3.3-3.5 2.1/5472=82, 4.3=81...(9) HB3 LEU 6 + HA LEU 80 OK 66 70 100 95 2.0-2.5 3.9/9065=48, 3.1/9067=47...(10) HG12 ILE 7 - HA LEU 80 far 0 65 0 - 5.4-5.7 HB2 LEU 4 - HA LEU 80 far 0 99 0 - 8.0-8.3 HB3 LEU 4 - HA LEU 80 far 0 99 0 - 9.0-9.3 HG12 ILE 56 - HA LEU 80 far 0 81 0 - 9.2-10.1 HG12 ILE 57 - HA LEU 80 far 0 61 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 5472 from cnoeabs.peaks (0.78, 5.55, 54.00 ppm; 3.46 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 80 + HA LEU 80 OK 98 100 100 98 1.9-2.1 5503=79, 508/504=58...(10) ! QD2 LEU 80 - HA LEU 80 far 0 100 0 - 3.8-3.8 QD1 LEU 81 - HA LEU 80 far 0 84 0 - 5.6-5.8 QD1 ILE 7 - HA LEU 80 far 0 94 0 - 5.8-6.0 QD1 LEU 82 - HA LEU 80 far 0 100 0 - 5.8-6.4 QD2 LEU 64 - HA LEU 80 far 0 97 0 - 6.1-6.6 QG1 VAL 107 - HA LEU 80 far 0 84 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 5473 from cnoeabs.peaks (0.78, 5.55, 54.00 ppm; 3.46 A): 1 out of 7 assignments used, quality = 0.98: * QD1 LEU 80 + HA LEU 80 OK 98 100 100 98 1.9-2.1 5503=79, 509/504=58...(10) QD2 LEU 80 - HA LEU 80 far 0 100 0 - 3.8-3.8 QD1 LEU 81 - HA LEU 80 far 0 81 0 - 5.6-5.8 QD1 ILE 7 - HA LEU 80 far 0 96 0 - 5.8-6.0 QD1 LEU 82 - HA LEU 80 far 0 100 0 - 5.8-6.4 QD2 LEU 64 - HA LEU 80 far 0 96 0 - 6.1-6.6 QG1 VAL 107 - HA LEU 80 far 0 87 0 - 8.0-8.3 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 2.7-3.2 3.8=100 H ILE 71 - HB2 LEU 80 far 0 100 0 - 9.2-9.7 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 2.4-2.5 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 3.0-3.0 3.0=100 HB3 LEU 6 + HB2 LEU 80 OK 60 70 100 86 3.2-3.6 10954/3.1=36, ~10953=33...(8) HG12 ILE 7 - HB2 LEU 80 far 0 65 0 - 7.8-8.1 HB2 LEU 4 - HB2 LEU 80 far 0 99 0 - 8.6-9.0 HB3 LEU 4 - HB2 LEU 80 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 5479 from cnoeabs.peaks (0.78, 1.75, 45.67 ppm; 3.35 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.1-2.3 3.1=100 QD1 LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.4-2.5 3.1=100 QD1 LEU 82 - HB2 LEU 80 far 0 100 0 - 5.3-6.0 QD2 LEU 64 - HB2 LEU 80 far 0 97 0 - 5.3-5.9 QD1 LEU 81 - HB2 LEU 80 far 0 84 0 - 6.8-7.1 QD1 ILE 7 - HB2 LEU 80 far 0 94 0 - 7.8-8.0 QG1 VAL 107 - HB2 LEU 80 far 0 84 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 5480 from cnoeabs.peaks (0.78, 1.75, 45.67 ppm; 3.35 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.4-2.5 3.1=100 QD2 LEU 80 + HB2 LEU 80 OK 100 100 100 100 2.1-2.3 3.1=100 QD1 LEU 82 - HB2 LEU 80 far 0 100 0 - 5.3-6.0 QD2 LEU 64 - HB2 LEU 80 far 0 96 0 - 5.3-5.9 QD1 LEU 81 - HB2 LEU 80 far 0 81 0 - 6.8-7.1 QD1 ILE 7 - HB2 LEU 80 far 0 96 0 - 7.8-8.0 QG1 VAL 107 - HB2 LEU 80 far 0 87 0 - 9.3-9.6 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 2 assignments used, quality = 1.00: * H LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.4-2.7 3.8=100 H LYS 94 - HB3 LEU 80 far 0 99 0 - 9.2-9.7 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 3.0-3.0 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 HG3 ARG 105 - HB3 LEU 80 far 0 100 0 - 6.5-8.8 HB3 LYS 94 - HB3 LEU 80 far 0 65 0 - 7.6-9.1 HB2 LEU 68 - HB3 LEU 80 far 0 98 0 - 7.9-8.4 HB3 LEU 82 - HB3 LEU 80 far 0 70 0 - 7.9-8.2 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): 1 out of 5 assignments used, quality = 1.00: * HG LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 LEU 6 - HB3 LEU 80 far 0 70 0 - 4.6-5.0 HG12 ILE 7 - HB3 LEU 80 far 0 65 0 - 7.8-8.0 HG2 LYS 106 - HB3 LEU 80 far 0 61 0 - 8.8-9.9 HB2 LEU 4 - HB3 LEU 80 far 0 99 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 5486 from cnoeabs.peaks (0.78, 1.29, 45.67 ppm; 3.41 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 LEU 80 + HB3 LEU 80 OK 100 100 100 100 3.2-3.2 3.1=100 QD1 LEU 82 - HB3 LEU 80 far 0 100 0 - 4.9-5.6 QD1 LEU 81 - HB3 LEU 80 far 0 84 0 - 5.9-6.3 QD2 LEU 64 - HB3 LEU 80 far 0 97 0 - 6.0-6.6 QD1 ILE 7 - HB3 LEU 80 far 0 94 0 - 8.0-8.2 QG1 VAL 107 - HB3 LEU 80 far 0 84 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 5487 from cnoeabs.peaks (0.78, 1.29, 45.67 ppm; 3.41 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 80 + HB3 LEU 80 OK 100 100 100 100 3.2-3.2 3.1=100 QD2 LEU 80 + HB3 LEU 80 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 LEU 82 - HB3 LEU 80 far 0 100 0 - 4.9-5.6 QD1 LEU 81 - HB3 LEU 80 far 0 81 0 - 5.9-6.3 QD2 LEU 64 - HB3 LEU 80 far 0 96 0 - 6.0-6.6 QD1 ILE 7 - HB3 LEU 80 far 0 96 0 - 8.0-8.2 QG1 VAL 107 - HB3 LEU 80 far 0 87 0 - 8.5-8.8 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 3.3-3.5 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 7 assignments used, quality = 1.00: * HB2 LEU 80 + HG LEU 80 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 82 - HG LEU 80 far 0 70 0 - 5.7-5.8 HB3 LYS 94 - HG LEU 80 far 0 65 0 - 5.9-7.8 HG3 ARG 105 - HG LEU 80 far 0 100 0 - 6.8-8.5 HB2 LEU 68 - HG LEU 80 far 0 98 0 - 8.0-8.5 HB2 LEU 55 - HG LEU 4 far 0 68 0 - 9.2-9.7 HB3 LYS 49 - HG LEU 4 far 0 75 0 - 9.7-15.5 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 2.4-2.4 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): 3 out of 10 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 31 100 45 69 3.0-3.8 2.1/11395=36...(6) QD2 LEU 64 - HG LEU 80 far 0 97 0 - 4.7-5.4 QD1 LEU 81 - HG LEU 80 far 0 84 0 - 5.3-5.5 QG1 VAL 107 - HG LEU 80 far 0 84 0 - 7.2-7.6 QD1 ILE 7 - HG LEU 80 far 0 94 0 - 7.8-8.0 QD1 ILE 7 - HG LEU 4 far 0 66 0 - 9.4-9.7 QD1 LEU 80 - HG LEU 4 far 0 75 0 - 9.7-10.2 QG2 VAL 32 - HG LEU 4 far 0 57 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 5494 from cnoeabs.peaks (0.78, 1.44, 28.31 ppm; 3.18 A): 3 out of 10 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 31 100 45 69 3.0-3.8 2.1/11395=36...(6) QD2 LEU 64 - HG LEU 80 far 0 96 0 - 4.7-5.4 QD1 LEU 81 - HG LEU 80 far 0 81 0 - 5.3-5.5 QG1 VAL 107 - HG LEU 80 far 0 87 0 - 7.2-7.6 QD1 ILE 7 - HG LEU 80 far 0 96 0 - 7.8-8.0 QD1 ILE 7 - HG LEU 4 far 0 68 0 - 9.4-9.7 QD1 LEU 80 - HG LEU 4 far 0 76 0 - 9.7-10.2 QG2 VAL 32 - HG LEU 4 far 0 59 0 - 9.8-10.4 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 3 assignments used, quality = 1.00: * H LEU 80 + QD2 LEU 80 OK 100 100 100 100 4.3-4.6 4.7=100 H LYS 94 + QD2 LEU 80 OK 46 99 60 78 6.1-6.6 4.4/9938=72, 3.0/10102=18 H ILE 71 - QD2 LEU 80 far 0 100 0 - 8.2-8.7 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 3.8-3.8 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 80 + QD2 LEU 80 OK 100 100 100 100 2.1-2.3 3.1=100 HB2 LEU 68 - QD2 LEU 80 far 0 98 0 - 4.8-5.2 HB3 LYS 94 - QD2 LEU 80 far 0 65 0 - 5.1-6.4 HB3 LEU 82 - QD2 LEU 80 far 0 70 0 - 5.7-6.0 HG3 ARG 105 - QD2 LEU 80 far 0 100 0 - 7.3-8.8 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 2.3-2.5 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): 1 out of 8 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 far 0 70 0 - 4.2-4.5 HG2 LYS 106 - QD2 LEU 80 far 0 61 0 - 7.0-8.3 HB3 LYS 61 - QD2 LEU 80 far 0 94 0 - 7.3-9.4 HG12 ILE 7 - QD2 LEU 80 far 0 65 0 - 7.7-7.9 HG2 LYS 96 - QD2 LEU 80 far 0 100 0 - 8.0-8.8 HB2 LEU 4 - QD2 LEU 80 far 0 99 0 - 9.1-9.5 HB3 LEU 63 - QD2 LEU 80 far 0 77 0 - 9.3-10.0 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 3 assignments used, quality = 1.00: * H LEU 80 + QD1 LEU 80 OK 100 100 100 100 4.1-4.3 4.7=92, 3.0/5473=83...(8) H LYS 94 - QD1 LEU 80 far 0 99 0 - 7.5-8.1 H ILE 71 - QD1 LEU 80 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (5.55, 0.78, 25.50 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + QD1 LEU 80 OK 100 100 100 100 1.9-2.1 5473=100, 504/509=66...(10) Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (1.75, 0.78, 25.50 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 80 + QD1 LEU 80 OK 100 100 100 100 2.4-2.5 3.1=100 HB3 LEU 82 - QD1 LEU 80 far 0 70 0 - 4.8-5.4 HB2 LEU 68 - QD1 LEU 80 far 0 98 0 - 5.6-6.1 HB3 LYS 94 - QD1 LEU 80 far 0 65 0 - 6.2-8.0 HG3 ARG 105 - QD1 LEU 80 far 0 100 0 - 7.2-8.6 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 3.2-3.2 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 58 70 100 84 1.9-2.6 1.8/10953=42, 10954=37...(9) HG12 ILE 7 - QD1 LEU 80 far 0 65 0 - 5.3-5.5 HB3 LYS 61 - QD1 LEU 80 far 0 94 0 - 7.0-9.1 HG2 LYS 106 - QD1 LEU 80 far 0 61 0 - 7.3-8.7 HB2 LEU 4 - QD1 LEU 80 far 0 99 0 - 7.7-8.2 HG12 ILE 56 - QD1 LEU 80 far 0 81 0 - 8.1-9.1 HB3 LEU 63 - QD1 LEU 80 far 0 77 0 - 8.1-8.8 HG12 ILE 57 - QD1 LEU 80 far 0 61 0 - 8.5-9.2 HB3 LEU 4 - QD1 LEU 80 far 0 99 0 - 8.5-8.9 HG LEU 4 - QD1 LEU 80 far 0 92 0 - 9.7-10.2 HG2 LYS 96 - QD1 LEU 80 far 0 100 0 - 9.9-10.9 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 1 assignment used, quality = 1.00: * HB2 LEU 81 + HA LEU 81 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.3-2.4 3.0=100 HG LEU 81 + HA LEU 81 OK 92 92 100 100 3.2-3.4 2.1/5538=84, 4.3=79...(11) HG2 LYS 94 - HA LEU 81 far 0 84 0 - 6.8-9.6 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 3.2-3.4 2.1/5538=84, 5531=81...(11) HB3 LEU 81 + HA LEU 81 OK 92 92 100 100 2.3-2.4 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): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 81 + HA LEU 81 OK 100 100 100 100 2.0-2.3 5538=100, 515/511=62...(14) QD1 LEU 80 - HA LEU 81 poor 15 81 25 74 3.5-4.1 1539/3.0=63, ~11387=10...(6) QD1 LEU 82 - HA LEU 81 far 0 90 0 - 4.8-5.2 QD2 LEU 80 - HA LEU 81 far 0 84 0 - 5.2-5.3 QD2 LEU 64 - HA LEU 81 far 0 98 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 5515 from cnoeabs.peaks (0.71, 5.27, 53.06 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 81 + HA LEU 81 OK 100 100 100 100 3.8-3.9 3.9=100 QD1 LEU 6 - HA LEU 81 far 0 94 0 - 5.6-6.0 QG1 VAL 117 - HA LEU 81 far 0 77 0 - 7.5-7.9 QG2 ILE 18 - HA LEU 81 far 0 87 0 - 8.5-9.0 QG2 VAL 78 - HA LEU 81 far 0 61 0 - 9.7-10.3 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 2.6-2.7 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 3.0-3.0 3.0=100 HA GLN 83 - HB2 LEU 81 far 0 94 0 - 7.2-7.6 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 2.4-2.5 3.0=100 HG2 LYS 94 - HB2 LEU 81 far 0 84 0 - 9.8-12.5 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 2.4-2.5 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): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 81 + HB2 LEU 81 OK 100 100 100 100 3.2-3.2 3.1=100 QD1 LEU 80 - HB2 LEU 81 far 0 81 0 - 4.1-4.4 QD2 LEU 80 - HB2 LEU 81 far 0 84 0 - 6.4-6.6 QD1 LEU 82 - HB2 LEU 81 far 0 90 0 - 6.6-7.0 QD2 LEU 64 - HB2 LEU 81 far 0 98 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 5522 from cnoeabs.peaks (0.71, 1.92, 45.78 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + HB2 LEU 81 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 LEU 6 - HB2 LEU 81 far 0 94 0 - 4.8-5.2 QG1 VAL 117 - HB2 LEU 81 far 0 77 0 - 5.4-5.9 QG2 ILE 18 - HB2 LEU 81 far 0 87 0 - 6.0-6.5 QD1 ILE 57 - HB2 LEU 81 far 0 100 0 - 7.7-8.4 QG2 ILE 56 - HB2 LEU 81 far 0 87 0 - 8.4-9.3 QG2 VAL 78 - HB2 LEU 81 far 0 61 0 - 8.9-9.5 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 3.2-3.4 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 2.3-2.4 3.0=100 HA GLN 83 - HB3 LEU 81 far 0 94 0 - 7.6-7.9 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 HB2 LYS 115 - HB3 LEU 81 far 0 94 0 - 9.2-11.2 HB3 LYS 115 - HB3 LEU 81 far 0 77 0 - 9.5-11.1 HG2 MET 121 - HB3 LEU 81 far 0 100 0 - 9.5-11.7 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): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 81 + HB3 LEU 81 OK 100 100 100 100 2.2-2.4 3.1=100 QD1 LEU 80 - HB3 LEU 81 far 0 81 0 - 4.6-5.0 QD2 LEU 80 - HB3 LEU 81 far 0 84 0 - 6.6-6.7 QD1 LEU 82 - HB3 LEU 81 far 0 90 0 - 6.7-7.1 QD2 LEU 64 - HB3 LEU 81 far 0 98 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (0.71, 1.36, 45.78 ppm; 3.68 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + HB3 LEU 81 OK 100 100 100 100 2.2-2.4 3.1=100 QG1 VAL 117 - HB3 LEU 81 far 0 77 0 - 5.5-5.9 QD1 LEU 6 - HB3 LEU 81 far 0 94 0 - 5.7-6.2 QG2 ILE 18 - HB3 LEU 81 far 0 87 0 - 6.8-7.4 QD1 ILE 57 - HB3 LEU 81 far 0 100 0 - 8.9-9.7 QG2 VAL 78 - HB3 LEU 81 far 0 61 0 - 9.0-9.8 QG2 ILE 56 - HB3 LEU 81 far 0 87 0 - 9.7-10.6 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 4.3-4.5 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): 1 out of 2 assignments used, quality = 1.00: * HA LEU 81 + HG LEU 81 OK 100 100 100 100 3.2-3.4 4.3=97, 5538/2.1=91...(11) HA GLN 83 - HG LEU 81 far 0 94 0 - 5.0-5.4 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 3 assignments used, quality = 1.00: * HB2 LEU 81 + HG LEU 81 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LYS 115 - HG LEU 81 far 0 77 0 - 8.9-10.9 HB2 LYS 115 - HG LEU 81 far 0 94 0 - 9.1-10.8 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 6 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 80 - HG LEU 81 far 0 81 0 - 5.1-5.5 QD1 LEU 82 - HG LEU 81 far 0 90 0 - 6.4-6.7 QD2 LEU 80 - HG LEU 81 far 0 84 0 - 7.3-7.5 QD2 LEU 64 - HG LEU 81 far 0 98 0 - 8.7-9.4 QD1 LEU 114 - HG LEU 81 far 0 73 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 5536 from cnoeabs.peaks (0.71, 1.35, 27.36 ppm; 3.52 A): 1 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 QD1 LEU 6 - HG LEU 81 far 0 94 0 - 6.0-6.6 QG2 ILE 18 - HG LEU 81 far 0 87 0 - 6.3-6.9 QG1 VAL 117 - HG LEU 81 far 0 77 0 - 6.3-6.7 QD1 ILE 57 - HG LEU 81 far 0 100 0 - 8.1-9.1 QG2 ILE 56 - HG LEU 81 far 0 87 0 - 9.6-10.6 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 4.3-4.4 3.0/5538=83, 4.8=81...(10) Violated in 0 structures by 0.00 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 2.0-2.3 5514=67, 511/515=53...(14) HA GLN 83 - QD1 LEU 81 far 0 94 0 - 4.0-4.6 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 5 assignments used, quality = 1.00: * HB2 LEU 81 + QD1 LEU 81 OK 100 100 100 100 3.2-3.2 3.1=100 HB3 LYS 115 - QD1 LEU 81 far 0 77 0 - 6.5-8.1 HB2 LYS 115 - QD1 LEU 81 far 0 94 0 - 6.6-8.2 HG2 MET 121 - QD1 LEU 81 far 0 100 0 - 9.7-11.3 HB3 LYS 123 - QD1 LEU 81 far 0 99 0 - 9.9-11.7 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 95 100 100 95 2.2-2.4 3.1=70, 3.0/5538=37...(11) 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 - 6.6-9.1 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 95 2.2-2.4 3.1=70, 3.0/5538=37...(11) 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): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 81 + QD1 LEU 81 OK 100 100 100 100 1.9-2.0 2.1=100 QG1 VAL 117 - QD1 LEU 81 far 0 77 0 - 5.8-6.1 QD1 LEU 6 - QD1 LEU 81 far 0 94 0 - 6.2-6.5 QG2 ILE 18 - QD1 LEU 81 far 0 87 0 - 6.4-6.9 QD1 ILE 57 - QD1 LEU 81 far 0 100 0 - 8.3-9.1 QG2 VAL 78 - QD1 LEU 81 far 0 61 0 - 9.5-10.1 QG2 ILE 56 - QD1 LEU 81 far 0 87 0 - 9.5-10.2 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 4.5-4.7 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): 1 out of 2 assignments used, quality = 1.00: * HA LEU 81 + QD2 LEU 81 OK 100 100 100 100 3.8-3.9 3.9=100 HA GLN 83 - QD2 LEU 81 far 9 94 10 - 5.8-6.0 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 8 assignments used, quality = 1.00: * HB2 LEU 81 + QD2 LEU 81 OK 100 100 100 100 2.3-2.5 3.1=100 HB3 LYS 115 - QD2 LEU 81 far 0 77 0 - 5.9-7.4 HB2 LYS 115 - QD2 LEU 81 far 0 94 0 - 6.0-7.4 HG2 MET 121 - QD2 LEU 81 far 0 100 0 - 7.5-9.2 HB3 LYS 17 - QD2 LEU 81 far 0 100 0 - 8.2-8.5 HB3 LYS 123 - QD2 LEU 81 far 0 99 0 - 9.4-11.1 HB ILE 15 - QD2 LEU 81 far 0 99 0 - 9.6-10.3 HB2 LYS 123 - QD2 LEU 81 far 0 77 0 - 9.7-11.1 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 2.2-2.4 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 - 9.1-11.5 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 2.2-2.4 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 1.9-2.0 2.1=100 QD1 LEU 80 - QD2 LEU 81 far 0 81 0 - 5.4-5.7 QD1 LEU 114 - QD2 LEU 81 far 0 73 0 - 6.8-7.0 QD1 LEU 82 - QD2 LEU 81 far 0 90 0 - 6.9-7.1 QD2 LEU 80 - QD2 LEU 81 far 0 84 0 - 7.2-7.4 QD2 LEU 64 - QD2 LEU 81 far 0 98 0 - 8.6-9.2 QG1 VAL 29 - QD2 LEU 81 far 0 90 0 - 9.2-9.8 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 3.0-3.0 3.0=100 HG LEU 90 - HA LEU 82 far 0 65 0 - 7.3-7.9 HB3 LEU 64 - HA LEU 82 far 0 96 0 - 7.7-8.2 HB ILE 116 - HA LEU 82 far 0 94 0 - 8.2-8.6 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 5 assignments used, quality = 1.00: * HB3 LEU 82 + HA LEU 82 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 LYS 94 - HA LEU 82 far 0 100 0 - 6.8-9.1 HB3 LEU 90 - HA LEU 82 far 0 81 0 - 7.1-7.6 HG3 ARG 105 - HA LEU 82 far 0 73 0 - 7.5-9.6 HB2 LEU 80 - HA LEU 82 far 0 70 0 - 7.6-7.8 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 2.7-2.9 4.3=100 HG12 ILE 116 - HA LEU 82 far 0 81 0 - 8.1-10.1 HG LEU 68 - HA LEU 82 far 0 92 0 - 9.6-9.9 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 2.1-2.5 5580=100, 522/518=59...(10) QD1 LEU 64 - HA LEU 82 far 0 90 0 - 4.2-4.6 QG2 ILE 57 - HA LEU 82 far 0 77 0 - 7.4-8.3 QG2 ILE 5 - HA LEU 82 far 0 73 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (0.78, 4.91, 53.13 ppm; 4.13 A increased from 3.89 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 82 + HA LEU 82 OK 100 100 100 100 3.9-3.9 3.9=100 QD1 LEU 80 + HA LEU 82 OK 52 100 95 54 3.8-4.3 ~9964=32, 5578/4.3=20...(4) QD1 LEU 81 + HA LEU 82 OK 47 90 55 96 3.9-4.4 1547/2.9=78, ~514=38...(6) QG1 VAL 107 - HA LEU 82 far 0 77 0 - 4.4-4.6 QD2 LEU 80 - HA LEU 82 far 0 100 0 - 5.6-5.8 QD2 LEU 64 - HA LEU 82 far 0 99 0 - 6.1-6.6 QD1 ILE 7 - HA LEU 82 far 0 90 0 - 7.0-7.3 QD1 ILE 15 - HA LEU 82 far 0 81 0 - 7.9-9.7 QD2 LEU 14 - HA LEU 82 far 0 77 0 - 8.3-8.8 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 2.4-2.5 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): 1 out of 2 assignments used, quality = 1.00: * HA LEU 82 + HB2 LEU 82 OK 100 100 100 100 3.0-3.0 3.0=100 HA ARG 105 - HB2 LEU 82 far 0 99 0 - 5.6-6.4 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 5 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 0 100 0 - 3.9-6.3 HB3 LEU 90 - HB2 LEU 82 far 0 81 0 - 5.3-6.0 HG3 ARG 105 - HB2 LEU 82 far 0 73 0 - 6.3-8.2 HB2 LEU 80 - HB2 LEU 82 far 0 70 0 - 7.6-7.8 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 2 assignments used, quality = 1.00: * HG LEU 82 + HB2 LEU 82 OK 100 100 100 100 2.5-2.6 3.0=100 HG12 ILE 116 - HB2 LEU 82 far 0 81 0 - 8.1-10.3 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 3.1-3.2 3.1=100 QD1 LEU 64 - HB2 LEU 82 far 0 90 0 - 5.2-5.7 QG2 ILE 5 - HB2 LEU 82 far 0 73 0 - 9.1-9.5 QG2 ILE 57 - HB2 LEU 82 far 0 77 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 5564 from cnoeabs.peaks (0.78, 1.62, 44.22 ppm; 3.69 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 82 + HB2 LEU 82 OK 100 100 100 100 2.0-2.3 3.1=100 QD1 LEU 81 - HB2 LEU 82 far 0 90 0 - 4.3-4.6 QD1 LEU 80 - HB2 LEU 82 far 0 100 0 - 4.5-5.0 QG1 VAL 107 - HB2 LEU 82 far 0 77 0 - 4.7-5.1 QD2 LEU 80 - HB2 LEU 82 far 0 100 0 - 5.0-5.3 QD2 LEU 64 - HB2 LEU 82 far 0 99 0 - 6.3-7.0 QD1 ILE 7 - HB2 LEU 82 far 0 90 0 - 8.9-9.0 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 3.6-3.7 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 2 assignments used, quality = 1.00: * HA LEU 82 + HB3 LEU 82 OK 100 100 100 100 2.5-2.6 3.0=100 HA ARG 105 - HB3 LEU 82 far 0 99 0 - 7.3-8.1 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 far 0 65 0 - 4.9-5.7 HB3 LEU 64 - HB3 LEU 82 far 0 96 0 - 8.2-9.0 HB ILE 116 - HB3 LEU 82 far 0 94 0 - 9.7-10.1 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 2 assignments used, quality = 1.00: * HG LEU 82 + HB3 LEU 82 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 116 - HB3 LEU 82 far 0 81 0 - 8.9-11.2 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 2.1-2.3 3.1=100 QD1 LEU 64 - HB3 LEU 82 far 0 90 0 - 4.8-5.4 QG2 ILE 57 - HB3 LEU 82 far 0 77 0 - 9.2-10.2 QG2 ILE 5 - HB3 LEU 82 far 0 73 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 5571 from cnoeabs.peaks (0.78, 1.74, 44.22 ppm; 3.87 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 82 + HB3 LEU 82 OK 100 100 100 100 2.5-2.7 3.1=100 QD1 LEU 80 - HB3 LEU 82 far 0 100 0 - 4.8-5.4 QG1 VAL 107 - HB3 LEU 82 far 0 77 0 - 4.9-5.2 QD1 LEU 81 - HB3 LEU 82 far 0 90 0 - 5.0-5.4 QD2 LEU 80 - HB3 LEU 82 far 0 100 0 - 5.7-6.0 QD2 LEU 64 - HB3 LEU 82 far 0 99 0 - 6.0-6.7 QD1 ILE 7 - HB3 LEU 82 far 0 90 0 - 9.1-9.3 QD2 LEU 14 - HB3 LEU 82 far 0 77 0 - 9.4-9.7 QD1 ILE 15 - HB3 LEU 82 far 0 81 0 - 9.5-11.3 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 2.9-3.1 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 82 + HG LEU 82 OK 100 100 100 100 2.7-2.9 4.3=100 HA ARG 105 - HG LEU 82 far 0 99 0 - 7.0-7.6 HA ILE 57 - HG LEU 82 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 5574 from cnoeabs.peaks (1.62, 1.60, 26.76 ppm; 2.70 A increased from 2.40 A): 1 out of 4 assignments used, quality = 0.87: * HB2 LEU 82 + HG LEU 82 OK 87 100 100 87 2.5-2.6 3.0=74, 4.0/1545=22...(5) HB3 LEU 64 - HG LEU 82 far 0 96 0 - 6.7-7.3 HG LEU 90 - HG LEU 82 far 0 65 0 - 6.8-7.6 HB ILE 116 - HG LEU 82 far 0 94 0 - 9.6-10.0 Violated in 0 structures by 0.00 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 3.0-3.0 3.0=100 HB3 LYS 94 - HG LEU 82 far 0 100 0 - 5.0-7.3 HB2 LEU 80 - HG LEU 82 far 0 70 0 - 5.6-5.8 HB3 LEU 90 - HG LEU 82 far 0 81 0 - 7.4-8.0 HG3 ARG 105 - HG LEU 82 far 0 73 0 - 7.9-9.0 HB2 LEU 68 - HG LEU 82 far 0 90 0 - 9.4-9.7 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 0 90 50 1 3.0-3.6 QG2 ILE 5 - HG LEU 82 far 0 73 0 - 8.0-8.4 QG2 ILE 57 - HG LEU 82 far 0 77 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 5578 from cnoeabs.peaks (0.78, 1.60, 26.76 ppm; 3.14 A): 2 out of 8 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 55 100 100 56 2.3-3.0 ~11395=23, 2.1/11093=19...(6) QD2 LEU 80 - HG LEU 82 far 0 100 0 - 3.4-3.5 QD2 LEU 64 - HG LEU 82 far 0 99 0 - 4.3-5.0 QD1 LEU 81 - HG LEU 82 far 0 90 0 - 5.0-5.4 QG1 VAL 107 - HG LEU 82 far 0 77 0 - 6.0-6.4 QD1 ILE 7 - HG LEU 82 far 0 90 0 - 7.9-8.3 QD1 ILE 15 - HG LEU 82 far 0 81 0 - 9.9-11.6 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 4.0-4.2 1546=100, 1545/2.1=94...(6) 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 2.1-2.5 5556=78, 518/522=51...(10) HA ILE 57 - QD2 LEU 82 far 0 100 0 - 7.6-8.5 HA ARG 105 - QD2 LEU 82 far 0 99 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 5581 from cnoeabs.peaks (1.62, 0.82, 23.86 ppm; 3.33 A increased from 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 82 + QD2 LEU 82 OK 100 100 100 100 3.1-3.2 3.1=100 HB3 LEU 64 - QD2 LEU 82 far 0 96 0 - 4.4-5.1 HG LEU 90 - QD2 LEU 82 far 0 65 0 - 5.7-6.8 HB ILE 116 - QD2 LEU 82 far 0 94 0 - 9.1-9.6 HG LEU 63 - QD2 LEU 82 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 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 2.1-2.3 3.1=100 HB3 LYS 94 - QD2 LEU 82 far 0 100 0 - 4.8-6.5 HB3 LEU 90 - QD2 LEU 82 far 0 81 0 - 5.3-6.1 HB2 LEU 80 - QD2 LEU 82 far 0 70 0 - 5.9-6.4 HB2 LEU 68 - QD2 LEU 82 far 0 90 0 - 7.7-8.3 HG3 ARG 105 - QD2 LEU 82 far 0 73 0 - 8.1-9.4 HG12 ILE 15 - QD2 LEU 82 far 0 92 0 - 9.5-10.9 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 - 6.2-6.9 HG12 ILE 116 - QD2 LEU 82 far 0 81 0 - 9.0-10.9 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): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 82 + QD2 LEU 82 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 80 - QD2 LEU 82 far 0 100 0 - 2.7-3.3 QD2 LEU 64 - QD2 LEU 82 far 0 99 0 - 3.0-3.6 QD2 LEU 80 - QD2 LEU 82 far 0 100 0 - 3.6-4.0 QD1 LEU 81 - QD2 LEU 82 far 0 90 0 - 5.2-5.6 QG1 VAL 107 - QD2 LEU 82 far 0 77 0 - 5.5-5.8 QD1 ILE 7 - QD2 LEU 82 far 0 90 0 - 7.2-7.6 QD1 ILE 15 - QD2 LEU 82 far 0 81 0 - 7.4-8.8 QD2 LEU 14 - QD2 LEU 82 far 0 77 0 - 8.5-8.9 QG2 VAL 32 - QD2 LEU 82 far 0 77 0 - 9.9-10.5 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 3.5-3.8 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): 1 out of 3 assignments used, quality = 1.00: * HA LEU 82 + QD1 LEU 82 OK 100 100 100 100 3.9-3.9 3.9=100 HA ARG 105 - QD1 LEU 82 far 0 99 0 - 5.6-6.4 HA ILE 57 - QD1 LEU 82 far 0 100 0 - 9.8-10.6 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 2.0-2.3 3.1=100 HG LEU 90 - QD1 LEU 82 far 0 65 0 - 4.2-5.0 HB3 LEU 64 - QD1 LEU 82 far 0 96 0 - 6.0-6.7 HB ILE 116 - QD1 LEU 82 far 0 94 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 5589 from cnoeabs.peaks (1.74, 0.78, 26.01 ppm; 3.36 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 82 + QD1 LEU 82 OK 100 100 100 100 2.5-2.7 3.1=100 HB3 LYS 94 + QD1 LEU 82 OK 74 100 80 92 2.3-4.2 10980=47, 1620/10100=39...(6) HB3 LEU 90 - QD1 LEU 82 far 0 81 0 - 4.7-5.4 HB2 LEU 80 - QD1 LEU 82 far 0 70 0 - 5.3-6.0 HG3 ARG 105 - QD1 LEU 82 far 0 73 0 - 7.0-8.0 HB2 LEU 68 - QD1 LEU 82 far 0 90 0 - 7.8-8.3 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 - 6.8-7.4 HG12 ILE 116 - QD1 LEU 82 far 0 81 0 - 8.8-10.7 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 5 assignments used, quality = 1.00: * QD2 LEU 82 + QD1 LEU 82 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 64 - QD1 LEU 82 far 0 90 0 - 3.2-3.9 QG2 ILE 5 - QD1 LEU 82 far 0 73 0 - 8.2-8.7 QG2 ILE 57 - QD1 LEU 82 far 0 77 0 - 8.8-9.7 QG2 ILE 71 - QD1 LEU 82 far 0 96 0 - 9.8-10.7 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 0 100 0 - 5.8-6.4 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): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + HA GLN 83 OK 100 100 100 100 2.4-2.5 3.0=100 QB ALA 113 - HA GLN 83 far 0 92 0 - 4.6-5.4 HG3 LYS 106 - HA GLN 83 far 0 65 0 - 6.8-7.3 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 2.5-2.7 3.9=100 HG2 GLU 112 - HA GLN 83 far 0 100 0 - 7.3-9.2 HG3 GLU 112 - HA GLN 83 far 0 100 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 5598 from cnoeabs.peaks (2.12, 5.26, 54.59 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + HA GLN 83 OK 100 100 100 100 2.9-3.5 3.9=100 HB VAL 107 - HA GLN 83 far 0 100 0 - 4.6-5.0 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 2.7-2.8 4.0=100 H ASN 10 + HB2 GLN 83 OK 96 100 100 96 3.1-3.7 4.0/10008=54...(6) 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 - 7.5-7.9 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): 1 out of 4 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 far 0 92 0 - 4.2-4.6 HG3 LYS 106 - HB2 GLN 83 far 0 65 0 - 9.5-10.1 HB3 LYS 61 - HB2 GLN 83 far 0 87 0 - 10.0-13.1 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 2.7-3.0 3.0=100 HG2 GLU 112 - HB2 GLN 83 far 0 100 0 - 8.8-10.4 HG3 GLU 112 - HB2 GLN 83 far 0 100 0 - 8.9-11.0 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 2.7-3.0 3.0=100 HB VAL 107 - HB2 GLN 83 far 0 100 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 5609 from cnoeabs.peaks (8.44, 1.42, 29.87 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 83 + HB3 GLN 83 OK 100 100 100 100 3.0-3.3 4.0=100 H ASN 10 - HB3 GLN 83 far 10 100 10 - 4.8-5.4 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 2.4-2.5 3.0=100 HA LEU 81 - HB3 GLN 83 far 0 94 0 - 6.4-6.6 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 2.7-3.0 3.0=100 HG2 GLU 112 - HB3 GLN 83 far 0 100 0 - 7.1-9.1 HG3 GLU 112 - HB3 GLN 83 far 0 100 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 5614 from cnoeabs.peaks (2.12, 1.42, 29.87 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + HB3 GLN 83 OK 100 100 100 100 2.2-2.3 3.0=100 HB VAL 107 - HB3 GLN 83 far 0 100 0 - 4.7-5.1 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 4.6-4.6 4.4=100 HE22 GLN 83 + HB3 GLN 83 OK 100 100 100 100 5.0-5.3 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 5.0-5.3 4.4=100 HE21 GLN 83 + HB3 GLN 83 OK 100 100 100 100 4.6-4.6 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 2.5-2.7 3.9=100 HA LEU 81 - HG2 GLN 83 far 0 94 0 - 8.7-9.0 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 2.7-3.0 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): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 83 + HG2 GLN 83 OK 100 100 100 100 2.7-3.0 3.0=100 QB ALA 113 - HG2 GLN 83 far 0 92 0 - 4.2-4.8 HG3 LYS 106 - HG2 GLN 83 far 0 65 0 - 8.9-9.7 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 0 100 0 - 5.5-6.0 HB2 GLU 111 - HG2 GLN 83 far 0 65 0 - 9.7-11.3 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 2.3-2.4 3.5=100 HE22 GLN 83 + HG2 GLN 83 OK 100 100 100 100 3.5-3.6 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 2.3-2.4 3.5=100 * HE22 GLN 83 + HG2 GLN 83 OK 100 100 100 100 3.5-3.6 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 4.8-5.0 5.0=100 H ASN 10 + HG3 GLN 83 OK 33 100 40 84 5.0-6.2 9130/3.0=61, 9129/11007=58 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 2.9-3.5 3.9=100 HA LEU 81 - HG3 GLN 83 far 0 94 0 - 8.1-8.7 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 2.7-3.0 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 3 assignments used, quality = 1.00: * HB3 GLN 83 + HG3 GLN 83 OK 100 100 100 100 2.2-2.3 3.0=100 QB ALA 113 + HG3 GLN 83 OK 77 92 100 83 2.8-3.5 11518/11007=43...(7) HG3 LYS 106 - HG3 GLN 83 far 0 65 0 - 9.3-10.1 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 - 6.1-7.8 HG3 GLU 112 - HG3 GLN 83 far 0 100 0 - 6.3-8.6 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 2.7-2.9 3.5=100 HE22 GLN 83 + HG3 GLN 83 OK 100 100 100 100 3.7-3.8 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 2.7-2.9 3.5=100 * HE22 GLN 83 + HG3 GLN 83 OK 100 100 100 100 3.7-3.8 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 - 8.4-8.8 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 2.7-3.0 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 2.6-3.0 3.0=100 HE3 LYS 61 - HA ASP 84 far 0 92 0 - 7.1-14.8 HB3 ASP 110 - HA ASP 84 far 0 70 0 - 9.5-11.9 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 3.0-3.7 4.1=100 H GLU 89 - HB2 ASP 84 far 0 73 0 - 5.9-6.3 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 2.7-3.0 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 - 6.3-13.9 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 2.7-3.2 4.1=100 H GLU 89 - HB3 ASP 84 far 0 73 0 - 7.0-7.5 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 2.6-3.0 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 2.9-2.9 3.0=100 H THR 108 - HA GLN 85 far 0 84 0 - 5.7-6.3 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 2.3-2.6 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 2.6-3.0 3.0=100 HB3 GLU 87 - HA GLN 85 far 0 100 0 - 7.3-7.8 HB2 GLU 89 - HA GLN 85 far 0 100 0 - 8.2-10.4 HB3 GLU 89 - HA GLN 85 far 0 100 0 - 9.4-10.2 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 2.4-3.7 3.9=88, 1.8/5678=37...(22) HG3 GLN 85 + HA GLN 85 OK 100 100 100 100 2.3-3.8 3.9=88, 1.8/5670=39...(22) HB2 ASP 110 - HA GLN 85 far 0 94 0 - 9.5-11.8 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 2.3-3.8 3.9=88, 1.8/5670=39...(22) HG2 GLN 85 + HA GLN 85 OK 100 100 100 100 2.4-3.7 3.9=88, 1.8/5678=37...(22) HB2 ASP 110 - HA GLN 85 far 0 90 0 - 9.5-11.8 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 2.3-3.6 1562=100, 1563/1.8=85...(10) H LYS 94 - HB2 GLU 98 far 0 76 0 - 5.9-6.4 H THR 108 - HB2 GLN 85 far 0 84 0 - 7.4-8.5 H LEU 80 - HB2 GLU 98 far 0 61 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 5654 from cnoeabs.peaks (4.33, 2.17, 29.33 ppm; 3.16 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-2.6 3.0=100 HA GLU 98 + HB2 GLU 98 OK 90 90 100 100 2.6-2.7 2.9=100 HA SER 99 - HB2 GLU 98 far 0 81 0 - 5.5-5.6 HA PHE 93 - HB2 GLU 98 far 0 87 0 - 7.4-7.9 HB THR 9 - HB2 GLN 85 far 0 84 0 - 9.8-12.1 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 7 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 - 6.8-8.6 HB2 GLU 89 - HB2 GLN 85 far 0 100 0 - 8.4-11.1 HB3 GLU 87 - HB2 GLN 85 far 0 100 0 - 8.9-10.0 HB3 GLU 89 - HB2 GLN 85 far 0 100 0 - 9.7-10.8 HB2 GLU 92 - HB2 GLU 98 far 0 71 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 5657 from cnoeabs.peaks (2.41, 2.17, 29.33 ppm; 3.11 A increased from 2.92 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 91 - HB2 GLU 98 far 0 79 0 - 6.4-7.2 HB2 ASP 110 - HB2 GLN 85 far 0 94 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 5658 from cnoeabs.peaks (2.40, 2.17, 29.33 ppm; 3.11 A increased from 2.92 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 85 + HB2 GLN 85 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 91 - HB2 GLU 98 far 0 74 0 - 6.4-7.2 HB2 ASP 110 - HB2 GLN 85 far 0 90 0 - 9.2-12.5 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 13 assignments used, quality = 1.00: * H GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.2-2.8 1563=100, 1562/1.8=63...(10) H GLN 85 - HB2 GLU 89 far 0 98 0 - 6.6-8.7 H LYS 94 - HB3 GLU 89 far 0 85 0 - 7.0-8.6 H ILE 71 - HB2 GLU 66 far 0 59 0 - 7.1-7.8 H LYS 94 - HB2 GLU 89 far 0 85 0 - 7.2-7.9 H LYS 94 - HB3 GLU 98 far 0 51 0 - 7.3-7.7 H THR 108 - HB3 GLN 85 far 0 84 0 - 7.4-9.1 H LEU 80 - HB3 GLN 100 far 0 54 0 - 7.8-10.0 H ILE 71 - HB3 GLN 100 far 0 44 0 - 7.9-9.8 H GLN 85 - HB3 GLU 89 far 0 98 0 - 8.0-8.7 H THR 108 - HB3 GLU 87 far 0 54 0 - 8.2-9.3 H LYS 94 - HB3 GLU 87 far 0 59 0 - 8.4-8.7 H GLN 85 - HB3 GLU 87 far 0 73 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 5662 from cnoeabs.peaks (4.33, 2.04, 29.33 ppm; 3.07 A): 2 out of 13 assignments used, quality = 1.00: * HA GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 98 + HB3 GLU 98 OK 63 63 100 100 3.0-3.0 2.9=100 HA SER 99 - HB3 GLU 98 far 0 55 0 - 4.0-4.1 HA GLU 98 - HB3 GLN 100 far 0 82 0 - 4.6-6.5 HA SER 99 - HB3 GLN 100 far 0 73 0 - 5.6-6.5 HA PHE 93 - HB3 GLU 89 far 0 95 0 - 7.1-9.1 HA GLN 85 - HB3 GLU 87 far 0 73 0 - 7.3-7.8 HA PHE 93 - HB2 GLU 89 far 0 95 0 - 7.4-8.7 HA GLN 85 - HB2 GLU 89 far 0 98 0 - 8.2-10.4 HA PHE 93 - HB3 GLU 98 far 0 59 0 - 8.4-8.9 HA GLN 85 - HB3 GLU 89 far 0 98 0 - 9.4-10.2 HA PHE 93 - HB3 GLN 100 far 0 78 0 - 9.9-11.7 HB THR 9 - HB3 GLN 85 far 0 84 0 - 10.0-11.7 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 73 78 100 94 2.3-2.4 3.0=52, 4910/1.8=39...(13) HB2 GLU 98 + HB3 GLU 98 OK 59 59 100 100 1.8-1.8 1.8=100 HB2 GLU 98 - HB3 GLN 100 far 0 78 0 - 6.8-8.6 HB3 GLN 62 - HB2 GLU 66 far 0 96 0 - 7.1-7.6 HB2 MET 42 - HB2 GLU 66 far 0 63 0 - 7.6-8.2 HB2 GLN 62 - HB2 GLU 66 far 0 96 0 - 7.9-8.3 HB2 GLN 85 - HB2 GLU 89 far 0 98 0 - 8.4-11.1 HB2 GLN 85 - HB3 GLU 87 far 0 73 0 - 8.9-10.0 HB3 GLU 37 - HB2 GLU 66 far 0 99 0 - 9.6-10.2 HB2 GLN 85 - HB3 GLU 89 far 0 98 0 - 9.7-10.8 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; 3.12 A increased from 2.78 A): 3 out of 16 assignments used, quality = 1.00: * HG2 GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 66 + HB2 GLU 66 OK 71 71 100 100 3.0-3.0 3.0=100 HG3 GLN 62 - HB2 GLU 66 far 0 97 0 - 5.1-5.8 HG2 GLN 62 - HB2 GLU 66 far 0 96 0 - 5.8-7.2 HG2 GLU 91 - HB3 GLU 87 far 0 62 0 - 6.5-6.8 HG2 GLN 85 - HB2 GLU 89 far 0 98 0 - 6.7-12.2 HG3 MET 67 - HB2 GLU 66 far 0 84 0 - 7.0-7.6 HG2 GLU 91 - HB3 GLU 98 far 0 53 0 - 7.2-7.8 HG3 GLN 85 - HB2 GLU 89 far 0 98 0 - 7.6-12.1 HG2 GLN 85 - HB3 GLU 89 far 0 98 0 - 7.9-12.2 HG2 GLN 85 - HB3 GLU 87 far 0 73 0 - 8.3-10.4 HG3 GLN 85 - HB3 GLU 89 far 0 98 0 - 8.5-12.1 HG3 GLN 85 - HB3 GLU 87 far 0 73 0 - 8.6-11.0 HG2 GLU 91 - HB2 GLU 89 far 0 88 0 - 9.3-9.9 HG2 GLU 91 - HB3 GLU 89 far 0 88 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 5666 from cnoeabs.peaks (2.40, 2.04, 29.33 ppm; 3.12 A increased from 2.78 A): 3 out of 16 assignments used, quality = 1.00: * HG3 GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 85 + HB3 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 66 + HB2 GLU 66 OK 78 78 100 100 3.0-3.0 3.0=100 HG3 GLN 62 - HB2 GLU 66 far 0 95 0 - 5.1-5.8 HG2 GLN 62 - HB2 GLU 66 far 0 93 0 - 5.8-7.2 HG2 GLU 91 - HB3 GLU 87 far 0 57 0 - 6.5-6.8 HG2 GLN 85 - HB2 GLU 89 far 0 98 0 - 6.7-12.2 HG3 MET 67 - HB2 GLU 66 far 0 89 0 - 7.0-7.6 HG2 GLU 91 - HB3 GLU 98 far 0 48 0 - 7.2-7.8 HG3 GLN 85 - HB2 GLU 89 far 0 98 0 - 7.6-12.1 HG2 GLN 85 - HB3 GLU 89 far 0 98 0 - 7.9-12.2 HG2 GLN 85 - HB3 GLU 87 far 0 73 0 - 8.3-10.4 HG3 GLN 85 - HB3 GLU 89 far 0 98 0 - 8.5-12.1 HG3 GLN 85 - HB3 GLU 87 far 0 73 0 - 8.6-11.0 HG2 GLU 91 - HB2 GLU 89 far 0 83 0 - 9.3-9.9 HG2 GLU 91 - HB3 GLU 89 far 0 83 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 5669 from cnoeabs.peaks (8.62, 2.41, 33.72 ppm; 4.49 A increased from 3.78 A): 2 out of 5 assignments used, quality = 1.00: H GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.4-4.5 1563/3.0=83, 1562/3.0=78...(12) * H GLN 85 + HG2 GLN 85 OK 95 100 95 100 2.2-4.6 1563/3.0=83, 1562/3.0=78...(12) H ALA 124 - HG2 GLN 122 far 0 55 0 - 4.7-6.3 H THR 108 - HG2 GLN 85 far 0 84 0 - 6.3-9.8 H THR 108 - HG3 GLN 85 far 0 83 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 5670 from cnoeabs.peaks (4.33, 2.41, 33.72 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 85 + HG2 GLN 85 OK 99 100 100 99 2.4-3.7 3.9=83, 5650/1.8=36...(22) HA GLN 85 + HG3 GLN 85 OK 94 100 95 99 2.3-3.8 3.9=83, 5649/1.8=36...(22) HB THR 9 - HG2 GLN 85 far 0 84 0 - 8.9-12.9 HB THR 9 - HG3 GLN 85 far 0 83 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 5671 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.73 A): 5 out of 9 assignments used, quality = 0.99: HB3 GLN 62 + HG3 GLN 62 OK 84 94 100 89 2.3-2.6 3.0=76, 3.0/4702=20...(10) HB2 GLN 62 + HG2 GLN 62 OK 82 92 100 90 2.4-2.6 3.0=76, 4.4/953=12...(9) HB2 GLN 85 + HG3 GLN 85 OK 54 100 60 91 2.3-3.0 3.0=76, 1562/5.0=15...(12) HB3 GLN 62 + HG2 GLN 62 OK 37 92 45 90 2.3-3.0 3.0=76, 4.4/953=12...(9) * HB2 GLN 85 + HG2 GLN 85 OK 36 100 40 91 2.3-3.0 3.0=76, 3.0/5670=15...(12) HB2 GLN 62 - HG3 GLN 62 far 0 94 0 - 3.0-3.0 HG3 GLU 66 - HG3 GLN 62 far 0 75 0 - 3.3-4.1 HG3 GLU 66 - HG2 GLN 62 far 0 73 0 - 3.8-5.3 HB3 GLU 37 - HG3 GLN 62 far 0 97 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 5672 from cnoeabs.peaks (2.04, 2.41, 33.72 ppm; 3.19 A increased from 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 2.4-3.0 3.0=100 HB2 GLU 66 - HG3 GLN 62 far 0 97 0 - 5.1-5.8 HB2 GLU 66 - HG2 GLN 62 far 0 96 0 - 5.8-7.2 HB2 GLU 89 - HG2 GLN 85 far 0 100 0 - 6.7-12.2 HB2 GLN 25 - HG2 GLN 122 far 0 45 0 - 7.3-12.3 HB2 GLU 89 - HG3 GLN 85 far 0 100 0 - 7.6-12.1 HB3 GLU 89 - HG2 GLN 85 far 0 100 0 - 7.9-12.2 HB VAL 117 - HG2 GLN 122 far 0 78 0 - 8.2-11.5 HB3 GLU 87 - HG2 GLN 85 far 0 100 0 - 8.3-10.4 HB3 GLU 89 - HG3 GLN 85 far 0 100 0 - 8.5-12.1 HB3 GLU 87 - HG3 GLN 85 far 0 100 0 - 8.6-11.0 HB3 MET 67 - HG3 GLN 62 far 0 89 0 - 8.7-9.3 HB3 MET 67 - HG2 GLN 62 far 0 87 0 - 9.2-10.9 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): 2 out of 10 assignments used, quality = 1.00: * HE21 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.4-3.6 3.5=100 HE21 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.1-3.5 3.5=100 H LEU 64 - HG3 GLN 62 far 0 97 0 - 5.0-6.0 HD21 ASN 10 - HG3 GLN 85 far 0 69 0 - 5.5-11.9 H LEU 64 - HG2 GLN 62 far 0 95 0 - 5.7-7.0 HD21 ASN 10 - HG2 GLN 85 far 0 70 0 - 7.2-12.2 H ASP 34 - HG3 GLN 62 far 0 91 0 - 8.4-10.0 H GLU 69 - HG3 GLN 62 far 0 97 0 - 8.6-10.1 H GLU 69 - HG2 GLN 62 far 0 95 0 - 9.1-11.3 H ASP 34 - HG2 GLN 62 far 0 89 0 - 9.4-11.3 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 3.5-4.1 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 95 95 100 100 3.4-4.1 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 93 93 100 100 3.4-3.9 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 0 45 0 - 6.1-12.3 Violated in 0 structures by 0.00 A. Peak 5677 from cnoeabs.peaks (8.62, 2.40, 33.72 ppm; 4.49 A increased from 3.78 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.4-4.5 1563/3.0=83, 1562/3.0=78...(12) H GLN 85 + HG2 GLN 85 OK 95 100 95 100 2.2-4.6 1563/3.0=83, 1562/3.0=78...(12) H ALA 124 - HG2 GLN 122 far 0 55 0 - 4.7-6.3 H THR 108 - HG2 GLN 85 far 0 83 0 - 6.3-9.8 H THR 108 - HG3 GLN 85 far 0 84 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 5678 from cnoeabs.peaks (4.33, 2.40, 33.72 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: HA GLN 85 + HG2 GLN 85 OK 99 100 100 99 2.4-3.7 3.9=83, 5650/1.8=36...(22) * HA GLN 85 + HG3 GLN 85 OK 94 100 95 99 2.3-3.8 3.9=83, 5649/1.8=36...(22) HB THR 9 - HG2 GLN 85 far 0 83 0 - 8.9-12.9 HB THR 9 - HG3 GLN 85 far 0 84 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 5679 from cnoeabs.peaks (2.17, 2.40, 33.72 ppm; 2.73 A): 5 out of 9 assignments used, quality = 0.99: HB3 GLN 62 + HG3 GLN 62 OK 79 89 100 89 2.3-2.6 3.0=76, 3.0/4674=19...(10) HB2 GLN 62 + HG2 GLN 62 OK 77 86 100 89 2.4-2.6 3.0=76, 4.4/953=12...(9) * HB2 GLN 85 + HG3 GLN 85 OK 54 100 60 91 2.3-3.0 3.0=76, 1562/5.0=15...(12) HB2 GLN 85 + HG2 GLN 85 OK 36 100 40 91 2.3-3.0 3.0=76, 3.0/5678=15...(12) HB3 GLN 62 + HG2 GLN 62 OK 35 86 45 89 2.3-3.0 3.0=76, 4.4/953=12...(9) HB2 GLN 62 - HG3 GLN 62 far 0 89 0 - 3.0-3.0 HG3 GLU 66 - HG3 GLN 62 far 0 70 0 - 3.3-4.1 HG3 GLU 66 - HG2 GLN 62 far 0 67 0 - 3.8-5.3 HB3 GLU 37 - HG3 GLN 62 far 0 93 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 5680 from cnoeabs.peaks (2.04, 2.40, 33.72 ppm; 3.19 A increased from 3.00 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 66 - HG3 GLN 62 far 0 93 0 - 5.1-5.8 HB2 GLU 66 - HG2 GLN 62 far 0 90 0 - 5.8-7.2 HB2 GLU 89 - HG2 GLN 85 far 0 100 0 - 6.7-12.2 HB2 GLN 25 - HG2 GLN 122 far 0 45 0 - 7.3-12.3 HB2 GLU 89 - HG3 GLN 85 far 0 100 0 - 7.6-12.1 HB3 GLU 89 - HG2 GLN 85 far 0 100 0 - 7.9-12.2 HB VAL 117 - HG2 GLN 122 far 0 78 0 - 8.2-11.5 HB3 GLU 87 - HG2 GLN 85 far 0 100 0 - 8.3-10.4 HB3 GLU 89 - HG3 GLN 85 far 0 100 0 - 8.5-12.1 HB3 GLU 87 - HG3 GLN 85 far 0 100 0 - 8.6-11.0 HB3 MET 67 - HG3 GLN 62 far 0 84 0 - 8.7-9.3 HB3 MET 67 - HG2 GLN 62 far 0 81 0 - 9.2-10.9 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): 2 out of 10 assignments used, quality = 1.00: * HE21 GLN 85 + HG3 GLN 85 OK 100 100 100 100 2.1-3.5 3.5=100 HE21 GLN 85 + HG2 GLN 85 OK 100 100 100 100 2.4-3.6 3.5=100 H LEU 64 - HG3 GLN 62 far 0 93 0 - 5.0-6.0 HD21 ASN 10 - HG3 GLN 85 far 0 70 0 - 5.5-11.9 H LEU 64 - HG2 GLN 62 far 0 90 0 - 5.7-7.0 HD21 ASN 10 - HG2 GLN 85 far 0 69 0 - 7.2-12.2 H ASP 34 - HG3 GLN 62 far 0 86 0 - 8.4-10.0 H GLU 69 - HG3 GLN 62 far 0 92 0 - 8.6-10.1 H GLU 69 - HG2 GLN 62 far 0 89 0 - 9.1-11.3 H ASP 34 - HG2 GLN 62 far 0 83 0 - 9.4-11.3 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 3.4-4.1 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 91 91 100 100 3.4-4.1 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 87 87 100 100 3.4-3.9 3.5=100 HE22 GLN 25 - HG2 GLN 122 far 0 45 0 - 6.1-12.3 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 2.9-2.9 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 2.4-3.0 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 2.5-3.0 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 2.6-3.7 1570=100, 1571/1.8=90 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 2.4-3.0 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 2.3-2.9 1571=100, 1570/1.8=77 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 2.5-3.0 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 3.0-3.0 3.0=100 HB3 GLU 92 - HA GLU 87 far 0 84 0 - 9.2-9.5 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 2.3-2.3 3.0=100 HB2 GLU 89 - HA GLU 87 far 0 100 0 - 5.8-7.4 HB3 GLU 89 - HA GLU 87 far 0 100 0 - 6.9-7.4 HB2 GLU 92 - HA GLU 87 far 0 84 0 - 7.5-7.9 HB3 GLN 85 - HA GLU 87 far 0 100 0 - 7.6-8.4 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: * HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.7-2.8 5716=100, 4058/3.0=71...(20) HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 3.5-3.6 1.8/5716=85, 4.0=70...(21) HG3 GLU 89 - HA GLU 87 far 0 73 0 - 4.8-7.0 HG3 GLU 91 - HA GLU 87 far 0 96 0 - 5.7-6.2 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: HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.7-2.8 5716=100, 4058/3.0=71...(20) * HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 3.5-3.6 1.8/5716=85, 4.0=70...(21) HG3 GLU 89 - HA GLU 87 far 0 73 0 - 4.8-7.0 HG3 GLU 91 - HA GLU 87 far 0 96 0 - 5.7-6.2 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 2.8-2.8 1574=100, 5709/1.8=82...(9) Violated in 0 structures by 0.00 A. Peak 5704 from cnoeabs.peaks (4.04, 2.09, 29.57 ppm; 3.15 A increased from 2.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 87 + HB2 GLU 87 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 92 - HB2 GLU 87 far 0 100 0 - 9.3-9.8 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 - 7.4-9.1 HB3 GLU 89 - HB2 GLU 87 far 0 100 0 - 7.9-8.9 HB2 GLU 92 - HB2 GLU 87 far 0 84 0 - 8.6-9.2 HB3 GLN 85 - HB2 GLU 87 far 0 100 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 5707 from cnoeabs.peaks (2.29, 2.09, 29.57 ppm; 2.68 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + HB2 GLU 87 OK 100 100 100 100 2.3-2.4 5723=79, ~6612=34...(17) ! HG2 GLU 87 - HB2 GLU 87 far 0 100 0 - 3.0-3.0 HG3 GLU 91 - HB2 GLU 87 far 0 96 0 - 6.1-6.8 HG3 GLU 89 - HB2 GLU 87 far 0 73 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 5708 from cnoeabs.peaks (2.29, 2.09, 29.57 ppm; 2.68 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 87 + HB2 GLU 87 OK 100 100 100 100 2.3-2.4 5723=79, ~6612=34...(17) HG2 GLU 87 - HB2 GLU 87 far 0 100 0 - 3.0-3.0 HG3 GLU 91 - HB2 GLU 87 far 0 96 0 - 6.1-6.8 HG3 GLU 89 - HB2 GLU 87 far 0 73 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 5709 from cnoeabs.peaks (8.64, 2.04, 29.57 ppm; 3.58 A increased from 3.37 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 87 + HB3 GLU 87 OK 100 100 100 100 3.6-3.6 1575=98, 1574/1.8=76...(10) H GLU 87 - HB3 GLN 85 far 0 73 0 - 6.0-7.3 H VAL 104 - HB3 GLU 98 far 0 50 0 - 6.1-7.0 Violated in 2 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 2.3-2.3 3.0=100 HA GLU 87 - HB3 GLN 85 far 0 73 0 - 7.6-8.4 HA GLU 92 - HB3 GLU 98 far 0 58 0 - 8.2-9.0 HA GLU 92 - HB3 GLU 87 far 0 100 0 - 9.1-9.5 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 3 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 87 - HB3 GLN 85 far 0 73 0 - 8.8-9.9 HB2 GLU 103 - HB3 GLU 98 far 0 54 0 - 9.9-11.0 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): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.5-2.6 5724=100, 5716/3.0=36...(16) HG3 GLU 87 - HB3 GLU 87 far 0 100 0 - 3.0-3.0 HG3 GLU 91 - HB3 GLU 87 far 0 96 0 - 5.0-5.8 HG3 GLU 89 - HB3 GLN 85 far 0 46 0 - 6.8-9.9 HG3 GLU 89 - HB3 GLU 87 far 0 73 0 - 6.9-8.4 HG2 GLU 87 - HB3 GLN 85 far 0 73 0 - 7.0-7.7 HG3 GLU 87 - HB3 GLN 85 far 0 73 0 - 7.1-8.1 HG3 GLU 91 - HB3 GLU 98 far 0 52 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 5714 from cnoeabs.peaks (2.29, 2.04, 29.57 ppm; 2.65 A): 1 out of 8 assignments used, quality = 1.00: HG2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.5-2.6 5724=100, 5716/3.0=36...(16) ! HG3 GLU 87 - HB3 GLU 87 far 0 100 0 - 3.0-3.0 HG3 GLU 91 - HB3 GLU 87 far 0 96 0 - 5.0-5.8 HG3 GLU 89 - HB3 GLN 85 far 0 46 0 - 6.8-9.9 HG3 GLU 89 - HB3 GLU 87 far 0 73 0 - 6.9-8.4 HG2 GLU 87 - HB3 GLN 85 far 0 73 0 - 7.0-7.7 HG3 GLU 87 - HB3 GLN 85 far 0 73 0 - 7.1-8.1 HG3 GLU 91 - HB3 GLU 98 far 0 52 0 - 7.4-8.6 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 1.9-2.0 1574/5708=70...(10) * H GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.5-2.7 3.0/5722=73...(9) Violated in 0 structures by 0.00 A. Peak 5716 from cnoeabs.peaks (4.04, 2.29, 36.01 ppm; 3.05 A): 1 out of 4 assignments used, quality = 0.99: * HA GLU 87 + HG2 GLU 87 OK 99 100 100 99 2.7-2.8 3.0/5724=55, 4.0=45...(21) HA GLU 87 - HG3 GLU 87 far 0 100 0 - 3.5-3.6 HA LYS 40 - HG2 GLU 47 far 0 50 0 - 6.6-9.2 HA GLU 13 - HG2 GLU 111 far 0 81 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 5717 from cnoeabs.peaks (2.09, 2.29, 36.01 ppm; 2.40 A): 2 out of 8 assignments used, quality = 0.95: HB2 GLU 87 + HG3 GLU 87 OK 94 100 100 94 2.3-2.4 5707=72, ~5714=26...(12) HB2 GLU 111 + HG2 GLU 111 OK 25 87 40 70 2.3-2.6 3.0=51, 1729/6609=15...(6) HB3 GLU 47 - HG2 GLU 47 far 0 42 0 - 2.6-2.7 ! HB2 GLU 87 - HG2 GLU 87 far 0 100 0 - 3.0-3.0 HB2 GLU 112 - HG2 GLU 111 far 0 78 0 - 3.7-8.2 HB3 GLU 112 - HG2 GLU 111 far 0 76 0 - 4.4-7.5 HG3 GLU 21 - HG2 GLU 111 far 0 78 0 - 8.1-11.9 HG2 GLU 21 - HG2 GLU 111 far 0 73 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 5718 from cnoeabs.peaks (2.04, 2.29, 36.01 ppm; 2.63 A increased from 2.48 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.5-2.6 5713=98, 3.0/5716=35...(11) HB2 GLU 47 - HG2 GLU 47 far 2 42 5 - 2.3-3.0 HB3 GLU 111 - HG2 GLU 111 far 0 57 0 - 3.0-3.0 HB3 GLU 87 - HG3 GLU 87 far 0 100 0 - 3.0-3.0 HB2 GLU 48 - HG2 GLU 47 far 0 68 0 - 5.9-8.1 HB3 GLU 48 - HG2 GLU 47 far 0 68 0 - 6.3-8.2 HB3 GLN 85 - HG2 GLU 87 far 0 100 0 - 7.0-7.7 HB3 GLN 85 - HG3 GLU 87 far 0 100 0 - 7.1-8.1 HB2 GLU 89 - HG2 GLU 87 far 0 100 0 - 7.9-9.8 HB2 GLU 89 - HG3 GLU 87 far 0 100 0 - 8.0-9.8 HB3 GLU 89 - HG3 GLU 87 far 0 100 0 - 8.6-9.7 HB3 GLU 89 - HG2 GLU 87 far 0 100 0 - 8.8-9.6 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 1.9-2.0 1574/5708=70...(10) H GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.5-2.7 3.0/5722=73...(9) Violated in 0 structures by 0.00 A. Peak 5722 from cnoeabs.peaks (4.04, 2.29, 36.01 ppm; 3.05 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 87 + HG2 GLU 87 OK 99 100 100 99 2.7-2.8 3.0/5724=55, 4.0=45...(21) ! HA GLU 87 - HG3 GLU 87 far 0 100 0 - 3.5-3.6 HA LYS 40 - HG2 GLU 47 far 0 50 0 - 6.6-9.2 HA GLU 13 - HG2 GLU 111 far 0 81 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 5723 from cnoeabs.peaks (2.09, 2.29, 36.01 ppm; 2.40 A): 2 out of 8 assignments used, quality = 0.95: * HB2 GLU 87 + HG3 GLU 87 OK 94 100 100 94 2.3-2.4 5707=72, ~5714=26...(12) HB2 GLU 111 + HG2 GLU 111 OK 25 87 40 70 2.3-2.6 3.0=51, 1729/6609=15...(6) HB3 GLU 47 - HG2 GLU 47 far 0 42 0 - 2.6-2.7 HB2 GLU 87 - HG2 GLU 87 far 0 100 0 - 3.0-3.0 HB2 GLU 112 - HG2 GLU 111 far 0 78 0 - 3.7-8.2 HB3 GLU 112 - HG2 GLU 111 far 0 76 0 - 4.4-7.5 HG3 GLU 21 - HG2 GLU 111 far 0 78 0 - 8.1-11.9 HG2 GLU 21 - HG2 GLU 111 far 0 73 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (2.04, 2.29, 36.01 ppm; 2.63 A increased from 2.48 A): 1 out of 12 assignments used, quality = 1.00: HB3 GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.5-2.6 5713=98, 3.0/5716=35...(11) HB2 GLU 47 - HG2 GLU 47 far 2 42 5 - 2.3-3.0 HB3 GLU 111 - HG2 GLU 111 far 0 57 0 - 3.0-3.0 ! HB3 GLU 87 - HG3 GLU 87 far 0 100 0 - 3.0-3.0 HB2 GLU 48 - HG2 GLU 47 far 0 68 0 - 5.9-8.1 HB3 GLU 48 - HG2 GLU 47 far 0 68 0 - 6.3-8.2 HB3 GLN 85 - HG2 GLU 87 far 0 100 0 - 7.0-7.7 HB3 GLN 85 - HG3 GLU 87 far 0 100 0 - 7.1-8.1 HB2 GLU 89 - HG2 GLU 87 far 0 100 0 - 7.9-9.8 HB2 GLU 89 - HG3 GLU 87 far 0 100 0 - 8.0-9.8 HB3 GLU 89 - HG3 GLU 87 far 0 100 0 - 8.6-9.7 HB3 GLU 89 - HG2 GLU 87 far 0 100 0 - 8.8-9.6 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 2.8-2.8 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 2.6-2.7 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 - 7.6-9.6 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 2.2-2.2 1580=100, 1581/1.8=89...(6) 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 2.6-2.7 3.0=100 HA LYS 77 - HB3 TYR 76 far 0 61 0 - 4.9-5.2 HA PHE 79 - HB3 TYR 76 far 0 77 0 - 9.5-9.8 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 - 10.0-11.9 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 2.1-3.3 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 3.4-3.9 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 2.9-3.0 1581=100, 1580/1.8=88...(4) 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 2.1-3.1 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 3.4-3.9 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 1 assignment used, quality = 1.00: * H GLU 89 + HA GLU 89 OK 100 100 100 100 2.8-2.9 3.0=100 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 4 assignments used, quality = 1.00: * HB2 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-3.0 3.0=95, 5762/3.8=37...(32) HB3 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-2.5 3.0=95, 1.8/5758=28...(31) HB2 GLU 92 + HA GLU 89 OK 65 84 100 78 2.4-3.0 8180=46, 1.8/8181=28...(5) HB3 GLU 87 - HA GLU 89 far 0 100 0 - 7.9-8.1 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 4 assignments used, quality = 1.00: HB2 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-3.0 3.0=95, 5762/3.8=37...(32) * HB3 GLU 89 + HA GLU 89 OK 100 100 100 100 2.4-2.5 3.0=95, 1.8/5758=28...(31) HB2 GLU 92 + HA GLU 89 OK 65 84 100 78 2.4-3.0 8180=46, 1.8/8181=28...(5) HB3 GLU 87 - HA GLU 89 far 0 100 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 5749 from cnoeabs.peaks (2.26, 4.15, 58.25 ppm; 3.02 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 92 - HA GLU 89 poor 20 100 20 - 2.9-4.2 ! HG2 GLU 89 - HA GLU 89 far 15 100 15 - 2.5-4.2 Violated in 13 structures by 0.22 A. Peak 5750 from cnoeabs.peaks (2.31, 4.15, 58.25 ppm; 3.82 A increased from 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 89 + HA GLU 89 OK 100 100 100 100 2.8-3.8 3.8=100 HG2 GLU 92 + HA GLU 89 OK 38 99 40 95 2.9-5.4 3.0/8180=63...(6) HG3 GLU 87 - HA GLU 89 far 0 73 0 - 8.9-9.0 HG2 GLU 87 - HA GLU 89 far 0 73 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. Peak 5751 from cnoeabs.peaks (8.22, 2.04, 29.24 ppm; 3.72 A increased from 3.31 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 89 + HB2 GLU 89 OK 100 100 100 100 2.5-3.6 4.0=78, 5769/5762=63...(13) H GLU 89 + HB3 GLU 89 OK 100 100 100 100 2.5-3.6 4.0=78, 5769/3.0=58...(13) H ASP 84 - HB3 GLN 85 far 0 69 0 - 6.0-6.8 H LEU 38 - HB2 GLU 66 far 0 65 0 - 7.0-7.7 H GLU 89 - HB3 GLN 85 far 0 98 0 - 8.0-9.5 H ASP 84 - HB2 GLU 89 far 0 73 0 - 8.2-9.9 H ASP 84 - HB3 GLU 89 far 0 73 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 5752 from cnoeabs.peaks (4.15, 2.04, 29.24 ppm; 2.95 A): 3 out of 7 assignments used, quality = 1.00: * HA GLU 89 + HB2 GLU 89 OK 100 100 100 100 2.4-3.0 3.0=94, 3.8/5756=37...(31) HA GLU 89 + HB3 GLU 89 OK 100 100 100 100 2.4-2.5 3.0=94, 5747/1.8=25...(30) HA ARG 95 + HB3 GLU 98 OK 41 50 100 81 2.3-2.8 8219/1.8=47, 8221=44...(4) HA LEU 63 - HB2 GLU 66 far 0 84 0 - 4.2-4.5 HA LEU 70 - HB2 GLU 66 far 0 80 0 - 6.5-7.3 HA ARG 95 - HB3 GLN 100 far 0 89 0 - 8.1-10.1 HA LEU 70 - HB3 GLN 100 far 0 67 0 - 9.8-11.9 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; 2.79 A increased from 2.63 A): 2 out of 9 assignments used, quality = 0.99: HG2 GLU 89 + HB3 GLU 89 OK 97 100 100 97 2.3-2.6 3.0=80, 1588/4.0=20...(21) * HG2 GLU 89 + HB2 GLU 89 OK 58 100 60 97 2.3-3.0 3.0=80, 1.8/5772=27...(22) HG3 GLU 92 - HB3 GLU 89 far 0 100 0 - 4.5-6.6 HG2 GLU 69 - HB2 GLU 66 far 0 92 0 - 5.3-5.9 HG3 GLU 92 - HB2 GLU 89 far 0 100 0 - 5.4-7.1 HG2 GLU 69 - HB3 GLN 100 far 0 78 0 - 6.5-10.4 HG2 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.7-9.8 HG2 GLU 103 - HB3 GLN 100 far 0 84 0 - 9.0-12.3 HG2 GLU 103 - HB3 GLU 98 far 0 46 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 5756 from cnoeabs.peaks (2.31, 2.04, 29.24 ppm; 2.68 A): 1 out of 13 assignments used, quality = 0.80: * HG3 GLU 89 + HB2 GLU 89 OK 80 100 85 94 2.3-3.0 3.0=71, 5769/4.0=21...(20) HG3 GLU 89 - HB3 GLU 89 far 15 100 15 - 2.6-3.0 HG2 GLU 92 - HB3 GLU 89 far 0 99 0 - 3.9-7.6 HG2 GLU 92 - HB2 GLU 89 far 0 99 0 - 5.0-8.3 HG3 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.8-9.9 HG2 GLU 87 - HB3 GLN 85 far 0 69 0 - 7.0-7.7 HG3 GLU 87 - HB3 GLN 85 far 0 69 0 - 7.1-8.1 HG2 GLU 87 - HB2 GLU 89 far 0 73 0 - 7.9-9.8 HG3 GLU 87 - HB2 GLU 89 far 0 73 0 - 8.0-9.8 HG3 GLU 103 - HB3 GLU 98 far 0 39 0 - 8.4-10.6 HG3 GLU 87 - HB3 GLU 89 far 0 73 0 - 8.6-9.7 HG2 GLU 87 - HB3 GLU 89 far 0 73 0 - 8.8-9.6 HG3 GLU 103 - HB3 GLN 100 far 0 73 0 - 8.9-11.8 Violated in 3 structures by 0.04 A. Peak 5757 from cnoeabs.peaks (8.22, 2.04, 29.24 ppm; 3.72 A increased from 3.31 A): 2 out of 7 assignments used, quality = 1.00: H GLU 89 + HB2 GLU 89 OK 100 100 100 100 2.5-3.6 4.0=78, 5769/5762=63...(13) * H GLU 89 + HB3 GLU 89 OK 100 100 100 100 2.5-3.6 4.0=78, 5769/3.0=58...(13) H ASP 84 - HB3 GLN 85 far 0 69 0 - 6.0-6.8 H LEU 38 - HB2 GLU 66 far 0 65 0 - 7.0-7.7 H GLU 89 - HB3 GLN 85 far 0 98 0 - 8.0-9.5 H ASP 84 - HB2 GLU 89 far 0 73 0 - 8.2-9.9 H ASP 84 - HB3 GLU 89 far 0 73 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 5758 from cnoeabs.peaks (4.15, 2.04, 29.24 ppm; 2.95 A): 3 out of 7 assignments used, quality = 1.00: HA GLU 89 + HB2 GLU 89 OK 100 100 100 100 2.4-3.0 3.0=94, 3.8/5756=37...(31) * HA GLU 89 + HB3 GLU 89 OK 100 100 100 100 2.4-2.5 3.0=94, 5747/1.8=25...(30) HA ARG 95 + HB3 GLU 98 OK 41 50 100 81 2.3-2.8 8219/1.8=47, 8221=44...(4) HA LEU 63 - HB2 GLU 66 far 0 84 0 - 4.2-4.5 HA LEU 70 - HB2 GLU 66 far 0 80 0 - 6.5-7.3 HA ARG 95 - HB3 GLN 100 far 0 89 0 - 8.1-10.1 HA LEU 70 - HB3 GLN 100 far 0 67 0 - 9.8-11.9 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; 2.79 A increased from 2.63 A): 2 out of 9 assignments used, quality = 0.99: * HG2 GLU 89 + HB3 GLU 89 OK 97 100 100 97 2.3-2.6 3.0=80, 1588/4.0=20...(21) HG2 GLU 89 + HB2 GLU 89 OK 58 100 60 97 2.3-3.0 3.0=80, 1.8/5772=27...(22) HG3 GLU 92 - HB3 GLU 89 far 0 100 0 - 4.5-6.6 HG2 GLU 69 - HB2 GLU 66 far 0 92 0 - 5.3-5.9 HG3 GLU 92 - HB2 GLU 89 far 0 100 0 - 5.4-7.1 HG2 GLU 69 - HB3 GLN 100 far 0 78 0 - 6.5-10.4 HG2 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.7-9.8 HG2 GLU 103 - HB3 GLN 100 far 0 84 0 - 9.0-12.3 HG2 GLU 103 - HB3 GLU 98 far 0 46 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 5762 from cnoeabs.peaks (2.31, 2.04, 29.24 ppm; 2.68 A): 1 out of 13 assignments used, quality = 0.80: HG3 GLU 89 + HB2 GLU 89 OK 80 100 85 94 2.3-3.0 3.0=71, 5769/4.0=21...(20) ! HG3 GLU 89 - HB3 GLU 89 far 15 100 15 - 2.6-3.0 HG2 GLU 92 - HB3 GLU 89 far 0 99 0 - 3.9-7.6 HG2 GLU 92 - HB2 GLU 89 far 0 99 0 - 5.0-8.3 HG3 GLU 89 - HB3 GLN 85 far 0 98 0 - 6.8-9.9 HG2 GLU 87 - HB3 GLN 85 far 0 69 0 - 7.0-7.7 HG3 GLU 87 - HB3 GLN 85 far 0 69 0 - 7.1-8.1 HG2 GLU 87 - HB2 GLU 89 far 0 73 0 - 7.9-9.8 HG3 GLU 87 - HB2 GLU 89 far 0 73 0 - 8.0-9.8 HG3 GLU 103 - HB3 GLU 98 far 0 39 0 - 8.4-10.6 HG3 GLU 87 - HB3 GLU 89 far 0 73 0 - 8.6-9.7 HG2 GLU 87 - HB3 GLU 89 far 0 73 0 - 8.8-9.6 HG3 GLU 103 - HB3 GLN 100 far 0 73 0 - 8.9-11.8 Violated in 3 structures by 0.04 A. Peak 5763 from cnoeabs.peaks (8.22, 2.26, 36.01 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 89 + HG2 GLU 89 OK 99 100 100 99 2.2-3.5 1588=77, 5769/1.8=77...(11) H GLU 111 + HG3 GLU 111 OK 52 89 60 98 3.1-4.1 1729/3.0=60, 1730/3.0=54...(8) H GLU 112 - HG3 GLU 111 poor 20 76 30 87 2.4-5.4 706/3.0=42, 7870/3.0=34...(7) H GLU 89 - HG3 GLU 92 far 0 100 0 - 5.0-5.9 H ASP 84 - HG2 GLU 89 far 0 73 0 - 7.4-11.2 Violated in 0 structures by 0.00 A. Peak 5764 from cnoeabs.peaks (4.15, 2.26, 36.01 ppm; 4.09 A increased from 3.64 A): 2 out of 6 assignments used, quality = 0.99: HA GLU 89 + HG3 GLU 92 OK 91 100 95 96 2.9-4.2 8180/5858=76...(5) * HA GLU 89 + HG2 GLU 89 OK 85 100 85 100 2.5-4.2 3.8=100 HA LEU 70 - HG2 GLU 69 far 3 60 5 - 2.9-6.4 HA LEU 63 - HG2 GLU 69 far 0 63 0 - 8.1-9.5 HA ARG 95 - HG3 GLU 92 far 0 99 0 - 8.4-9.3 HA ALA 124 - HG2 GLU 103 far 0 63 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 5765 from cnoeabs.peaks (2.04, 2.26, 36.01 ppm; 2.66 A increased from 2.51 A): 4 out of 15 assignments used, quality = 1.00: HB3 GLU 89 + HG2 GLU 89 OK 95 100 100 95 2.3-2.6 3.0=69, ~5762=33...(16) HB2 GLU 92 + HG3 GLU 92 OK 80 83 100 96 2.3-2.6 5858=78, ~5863=31...(17) * HB2 GLU 89 + HG2 GLU 89 OK 59 100 60 98 2.3-3.0 3.0=69, 5762/1.8=63...(17) HB3 GLU 111 + HG3 GLU 111 OK 51 62 100 82 2.3-2.6 3.0=69, 3.0/6596=15...(6) HB3 GLU 89 - HG3 GLU 92 far 0 100 0 - 4.5-6.6 HB2 GLU 92 - HG2 GLU 89 far 0 84 0 - 4.8-6.9 HB2 GLU 66 - HG2 GLU 69 far 0 83 0 - 5.3-5.9 HB2 GLU 89 - HG3 GLU 92 far 0 100 0 - 5.4-7.1 HB3 GLN 100 - HG2 GLU 69 far 0 75 0 - 6.5-10.4 HB3 MET 67 - HG2 GLU 69 far 0 73 0 - 6.6-7.8 HB3 GLN 85 - HG2 GLU 89 far 0 100 0 - 6.7-9.8 HB3 GLU 87 - HG2 GLU 89 far 0 100 0 - 6.9-9.6 HB3 GLU 87 - HG3 GLU 92 far 0 100 0 - 8.2-9.3 HB3 GLN 100 - HG2 GLU 103 far 0 57 0 - 9.0-12.3 HB3 GLU 98 - HG2 GLU 103 far 0 47 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 5766 from cnoeabs.peaks (2.04, 2.26, 36.01 ppm; 2.66 A increased from 2.51 A): 4 out of 15 assignments used, quality = 1.00: * HB3 GLU 89 + HG2 GLU 89 OK 95 100 100 95 2.3-2.6 3.0=69, ~5762=33...(16) HB2 GLU 92 + HG3 GLU 92 OK 80 83 100 96 2.3-2.6 5858=78, ~5863=31...(17) HB2 GLU 89 + HG2 GLU 89 OK 59 100 60 98 2.3-3.0 3.0=69, 5762/1.8=63...(17) HB3 GLU 111 + HG3 GLU 111 OK 51 62 100 82 2.3-2.6 3.0=69, 3.0/6596=15...(6) HB3 GLU 89 - HG3 GLU 92 far 0 100 0 - 4.5-6.6 HB2 GLU 92 - HG2 GLU 89 far 0 84 0 - 4.8-6.9 HB2 GLU 66 - HG2 GLU 69 far 0 83 0 - 5.3-5.9 HB2 GLU 89 - HG3 GLU 92 far 0 100 0 - 5.4-7.1 HB3 GLN 100 - HG2 GLU 69 far 0 75 0 - 6.5-10.4 HB3 MET 67 - HG2 GLU 69 far 0 73 0 - 6.6-7.8 HB3 GLN 85 - HG2 GLU 89 far 0 100 0 - 6.7-9.8 HB3 GLU 87 - HG2 GLU 89 far 0 100 0 - 6.9-9.6 HB3 GLU 87 - HG3 GLU 92 far 0 100 0 - 8.2-9.3 HB3 GLN 100 - HG2 GLU 103 far 0 57 0 - 9.0-12.3 HB3 GLU 98 - HG2 GLU 103 far 0 47 0 - 9.5-11.7 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 9 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 HG3 GLU 89 - HG3 GLU 92 far 0 100 0 - 5.3-7.4 HG2 GLU 92 - HG2 GLU 89 far 0 99 0 - 6.2-9.4 HG2 GLU 87 - HG2 GLU 89 far 0 73 0 - 6.8-9.6 HG3 GLU 87 - HG2 GLU 89 far 0 73 0 - 6.8-9.3 HG3 GLU 87 - HG3 GLU 92 far 0 73 0 - 9.9-11.0 HG2 GLU 87 - HG3 GLU 92 far 0 73 0 - 9.9-10.8 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 = 0.98: * H GLU 89 + HG3 GLU 89 OK 98 100 100 98 2.1-3.6 1589=65, 1588/1.8=60...(11) H GLU 89 - HG2 GLU 92 far 0 97 0 - 5.6-7.6 H ILE 15 - HG3 GLU 13 far 0 69 0 - 5.8-6.3 H ASP 84 - HG3 GLU 89 far 0 73 0 - 7.2-10.8 H GLU 111 - HG3 GLU 13 far 0 95 0 - 9.8-10.9 Violated in 4 structures by 0.00 A. Peak 5770 from cnoeabs.peaks (4.15, 2.31, 36.01 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 89 + HG3 GLU 89 OK 100 100 100 100 2.8-3.8 3.8=100 HA GLU 89 + HG2 GLU 92 OK 37 97 40 94 2.9-5.4 8180/3.0=62...(6) HA LEU 45 - HG3 GLU 48 far 14 90 15 - 3.8-8.0 HA ARG 95 - HG2 GLU 92 far 0 97 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 5771 from cnoeabs.peaks (2.04, 2.31, 36.01 ppm; 2.70 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.98: * HB2 GLU 89 + HG3 GLU 89 OK 85 100 85 100 2.3-3.0 5756=100, 5761/1.8=23...(15) HB2 GLU 48 + HG3 GLU 48 OK 68 90 85 89 2.3-3.0 3.0=73, ~4089=25...(5) HB3 GLU 48 + HG3 GLU 48 OK 32 90 40 89 2.3-3.0 3.0=73, 4088/1.8=47...(5) HB2 GLU 92 + HG2 GLU 92 OK 31 78 40 99 2.3-3.0 3.0=73, 1.8/5863=60...(17) HB3 GLU 89 - HG3 GLU 89 far 15 100 15 - 2.6-3.0 HB3 GLU 89 - HG2 GLU 92 far 0 97 0 - 3.9-7.6 HB2 GLU 47 - HG3 GLU 48 far 0 60 0 - 3.9-8.0 HB2 GLU 89 - HG2 GLU 92 far 0 97 0 - 5.0-8.3 HB2 GLU 92 - HG3 GLU 89 far 0 84 0 - 5.5-6.5 HG3 GLU 52 - HG3 GLU 48 far 0 89 0 - 6.5-13.7 HB3 GLN 85 - HG3 GLU 89 far 0 100 0 - 6.8-9.9 HB3 GLU 87 - HG3 GLU 89 far 0 100 0 - 6.9-8.4 HB2 MET 1 - HG3 GLU 48 far 0 78 0 - 7.4-15.4 HB3 GLU 98 - HG3 GLU 103 far 0 33 0 - 8.4-10.6 HB3 GLN 100 - HG3 GLU 103 far 0 41 0 - 8.9-11.8 HB3 GLU 87 - HG2 GLU 92 far 0 97 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 5772 from cnoeabs.peaks (2.04, 2.31, 36.01 ppm; 2.70 A increased from 2.40 A): 4 out of 16 assignments used, quality = 0.98: HB2 GLU 89 + HG3 GLU 89 OK 85 100 85 100 2.3-3.0 5756=100, 5761/1.8=23...(15) HB2 GLU 48 + HG3 GLU 48 OK 68 90 85 89 2.3-3.0 3.0=73, ~4089=25...(5) HB3 GLU 48 + HG3 GLU 48 OK 32 90 40 89 2.3-3.0 3.0=73, 4088/1.8=47...(5) HB2 GLU 92 + HG2 GLU 92 OK 31 78 40 99 2.3-3.0 3.0=73, 1.8/5863=60...(17) ! HB3 GLU 89 - HG3 GLU 89 far 15 100 15 - 2.6-3.0 HB3 GLU 89 - HG2 GLU 92 far 0 97 0 - 3.9-7.6 HB2 GLU 47 - HG3 GLU 48 far 0 60 0 - 3.9-8.0 HB2 GLU 89 - HG2 GLU 92 far 0 97 0 - 5.0-8.3 HB2 GLU 92 - HG3 GLU 89 far 0 84 0 - 5.5-6.5 HG3 GLU 52 - HG3 GLU 48 far 0 89 0 - 6.5-13.7 HB3 GLN 85 - HG3 GLU 89 far 0 100 0 - 6.8-9.9 HB3 GLU 87 - HG3 GLU 89 far 0 100 0 - 6.9-8.4 HB2 MET 1 - HG3 GLU 48 far 0 78 0 - 7.4-15.4 HB3 GLU 98 - HG3 GLU 103 far 0 33 0 - 8.4-10.6 HB3 GLN 100 - HG3 GLU 103 far 0 41 0 - 8.9-11.8 HB3 GLU 87 - HG2 GLU 92 far 0 97 0 - 9.5-10.3 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 5 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 HG3 GLU 92 - HG3 GLU 89 far 0 100 0 - 5.3-7.4 HG2 GLU 89 - HG2 GLU 92 far 0 97 0 - 6.2-9.4 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 2.7-2.9 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 3.0-3.0 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): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + HA LEU 90 OK 100 100 100 100 2.3-2.3 3.0=100 HB3 LYS 94 - HA LEU 90 far 0 84 0 - 4.4-5.5 HB3 LEU 82 - HA LEU 90 far 0 81 0 - 4.8-5.3 HB3 LYS 106 - HA LEU 90 far 0 96 0 - 6.7-7.7 HB2 LYS 106 - HA LEU 90 far 0 98 0 - 8.0-8.8 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 2 assignments used, quality = 1.00: * HG LEU 90 + HA LEU 90 OK 100 100 100 100 3.6-3.6 2.1/5804=87, 4.3=84...(15) HB2 LEU 82 - HA LEU 90 far 0 65 0 - 5.4-6.0 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 2.1-2.2 5804=100, 2.1/5779=46...(16) QG2 VAL 104 - HA LEU 90 far 0 61 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 5781 from cnoeabs.peaks (0.88, 4.21, 56.94 ppm; 3.88 A increased from 3.27 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 90 + HA LEU 90 OK 100 100 100 100 3.8-3.9 3.9=97, 2.1/5804=84...(14) QG2 VAL 104 - HA LEU 90 far 0 100 0 - 8.0-8.6 QG2 VAL 107 - HA LEU 90 far 0 81 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 5782 from cnoeabs.peaks (8.05, 1.78, 42.46 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 90 + HB2 LEU 90 OK 100 100 100 100 2.2-2.3 1592=100, 566/568=61...(11) 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 3.0-3.0 3.0=100 HB THR 108 - HB2 LEU 90 far 0 84 0 - 7.8-9.0 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): 1 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 far 0 96 0 - 4.8-5.9 HB3 LYS 94 - HB2 LEU 90 far 0 84 0 - 5.1-6.0 HB3 LEU 82 - HB2 LEU 90 far 0 81 0 - 6.0-6.6 HB2 LYS 106 - HB2 LEU 90 far 0 98 0 - 6.2-7.1 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 2.4-2.4 3.0=100 HB2 LEU 82 - HB2 LEU 90 far 0 65 0 - 6.4-6.9 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 3.2-3.2 3.1=100 QG2 VAL 104 - HB2 LEU 90 far 0 61 0 - 9.0-9.7 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 2.4-2.5 3.1=100 QG2 VAL 107 - HB2 LEU 90 far 0 81 0 - 8.8-9.4 QG2 VAL 104 - HB2 LEU 90 far 0 100 0 - 9.0-9.7 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 1 assignment used, quality = 1.00: * H LEU 90 + HB3 LEU 90 OK 100 100 100 100 2.7-2.9 4.0=100 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 2.3-2.3 3.0=100 HB THR 108 - HB3 LEU 90 far 0 84 0 - 7.6-8.7 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 3.0-3.0 3.0=100 HB2 LEU 82 - HB3 LEU 90 far 0 65 0 - 5.3-6.0 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 2.4-2.5 3.1=100 QG2 VAL 104 - HB3 LEU 90 far 0 61 0 - 8.8-9.3 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 2.1-2.2 3.1=100 QG2 VAL 107 - HB3 LEU 90 far 0 81 0 - 8.3-8.8 QG2 VAL 104 - HB3 LEU 90 far 0 100 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 5796 from cnoeabs.peaks (8.05, 1.64, 26.77 ppm; 3.87 A): 1 out of 5 assignments used, quality = 0.92: H LYS 65 + HG LEU 64 OK 92 92 100 99 3.7-3.7 397/2.1=62, 394/3.0=61...(11) ! H LEU 90 - HG LEU 90 far 0 100 0 - 4.2-4.3 H ASP 109 - HG LEU 114 far 0 60 0 - 8.0-8.5 H THR 9 - HG LEU 64 far 0 99 0 - 8.4-8.9 H VAL 22 - HG LEU 114 far 0 62 0 - 8.8-9.5 Violated in 0 structures by 0.00 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 3.6-3.6 4.3=100 HB THR 108 - HG LEU 90 far 0 84 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 5798 from cnoeabs.peaks (1.78, 1.64, 26.77 ppm; 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 90 + HG LEU 90 OK 99 100 100 99 2.4-2.4 3.0=96, 3.0/5779=30...(10) HB2 LEU 64 + HG LEU 64 OK 82 82 100 100 2.7-2.7 3.0=96, 4781/2.1=39...(15) HG12 ILE 18 - HG LEU 114 far 0 60 0 - 4.4-5.0 HB VAL 32 - HG LEU 64 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 5799 from cnoeabs.peaks (1.72, 1.64, 26.77 ppm; 3.12 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 90 + HG LEU 90 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 114 + HG LEU 114 OK 55 55 100 100 2.4-2.5 3.0=100 HB3 LYS 94 - HG LEU 90 far 0 84 0 - 3.2-4.3 HB3 LYS 106 - HG LEU 90 far 0 96 0 - 3.6-4.5 HB2 LYS 106 - HG LEU 90 far 0 98 0 - 4.6-5.5 HB3 LEU 82 - HG LEU 90 far 0 81 0 - 4.9-5.7 HG2 ARG 118 - HG LEU 114 far 0 68 0 - 6.9-9.5 HB3 LEU 82 - HG LEU 64 far 0 79 0 - 8.1-8.7 HG12 ILE 15 - HG LEU 114 far 0 71 0 - 9.9-10.7 HB3 LYS 94 - HG LEU 64 far 0 82 0 - 9.9-11.6 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 6 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 64 far 0 60 0 - 6.2-6.7 QG2 VAL 104 - HG LEU 90 far 0 61 0 - 7.2-8.1 QD1 LEU 70 - HG LEU 64 far 0 99 0 - 7.8-8.2 QD1 LEU 90 - HG LEU 64 far 0 99 0 - 8.3-8.9 QD2 LEU 38 - HG LEU 64 far 0 79 0 - 8.4-8.7 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 10 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 far 0 44 0 - 5.3-6.0 QG2 VAL 107 - HG LEU 114 far 0 52 0 - 5.4-6.0 QG2 VAL 104 - HG LEU 64 far 0 99 0 - 6.2-6.7 QG2 VAL 104 - HG LEU 90 far 0 100 0 - 7.2-8.1 QG2 THR 9 - HG LEU 114 far 0 38 0 - 7.5-8.1 QG2 VAL 107 - HG LEU 90 far 0 81 0 - 8.2-8.8 QD2 LEU 38 - HG LEU 64 far 0 96 0 - 8.4-8.7 QG1 VAL 32 - HG LEU 64 far 0 75 0 - 8.5-9.0 QG2 THR 9 - HG LEU 64 far 0 60 0 - 8.7-9.1 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 4.1-4.2 1595=87, 3.0/5804=77...(10) H THR 9 - QD1 LEU 90 far 0 100 0 - 8.3-9.0 H ASP 109 - QD1 LEU 90 far 0 90 0 - 8.7-9.2 H LYS 65 - QD1 LEU 90 far 0 94 0 - 9.6-10.4 Violated in 2 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 2.1-2.2 5780=100, 5781/2.1=50...(17) HB THR 108 - QD1 LEU 90 far 0 84 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 5805 from cnoeabs.peaks (1.78, 0.90, 24.86 ppm; 3.27 A increased from 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 90 + QD1 LEU 90 OK 100 100 100 100 3.2-3.2 3.1=100 HB2 LEU 64 - QD1 LEU 90 far 0 84 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 5806 from cnoeabs.peaks (1.72, 0.90, 24.86 ppm; 2.96 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + QD1 LEU 90 OK 98 100 100 98 2.4-2.5 3.1=85, 3.0/5804=42...(8) HB3 LEU 82 + QD1 LEU 90 OK 56 81 100 69 2.1-2.7 ~9967=24, 1.8/5807=20...(8) HB3 LYS 94 + QD1 LEU 90 OK 53 84 80 79 1.8-3.5 3.0/10101=31...(10) HB3 LYS 106 - QD1 LEU 90 far 0 96 0 - 3.7-4.5 HB2 LYS 106 - QD1 LEU 90 far 0 98 0 - 4.5-5.4 Violated in 0 structures by 0.00 A. Peak 5807 from cnoeabs.peaks (1.64, 0.90, 24.86 ppm; 2.90 A): 2 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 OK 40 65 100 61 2.2-2.6 9967/2.1=18, 4.0/9968=18...(7) HG LEU 64 - QD1 LEU 90 far 0 100 0 - 8.3-8.9 HB3 LEU 64 - QD1 LEU 90 far 0 92 0 - 8.4-9.0 HD3 LYS 65 - QD1 LEU 90 far 0 87 0 - 8.8-10.8 HD2 LYS 65 - QD1 LEU 90 far 0 77 0 - 8.9-11.8 HB ILE 116 - QD1 LEU 90 far 0 94 0 - 9.3-9.8 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 1.9-2.0 2.1=100 QG2 VAL 104 - QD1 LEU 90 far 0 100 0 - 5.1-5.6 QG2 VAL 107 - QD1 LEU 90 far 0 81 0 - 6.7-7.1 QG2 THR 9 - QD1 LEU 90 far 0 61 0 - 7.8-8.4 QG2 VAL 117 - QD1 LEU 90 far 0 70 0 - 9.3-9.7 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 4.2-4.3 1596=95, 1595/2.1=71...(12) H ASP 109 - QD2 LEU 90 far 0 90 0 - 6.6-7.2 H THR 9 - QD2 LEU 90 far 0 100 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 5811 from cnoeabs.peaks (4.21, 0.88, 24.74 ppm; 4.02 A increased from 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 90 + QD2 LEU 90 OK 100 100 100 100 3.8-3.9 3.9=100 HB THR 108 - QD2 LEU 90 far 0 84 0 - 5.2-6.3 Violated in 0 structures by 0.00 A. Peak 5812 from cnoeabs.peaks (1.78, 0.88, 24.74 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 90 + QD2 LEU 90 OK 100 100 100 100 2.4-2.5 3.1=100 Violated in 0 structures by 0.00 A. Peak 5813 from cnoeabs.peaks (1.72, 0.88, 24.74 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 90 + QD2 LEU 90 OK 99 100 100 99 2.1-2.2 3.1=92, 3.0/5781=35...(9) HB3 LYS 106 + QD2 LEU 90 OK 89 96 100 93 1.9-2.7 678/1713=30...(13) HB2 LYS 106 - QD2 LEU 90 far 0 98 0 - 3.2-4.0 HB3 LEU 82 - QD2 LEU 90 far 0 81 0 - 3.4-4.2 HB3 LYS 94 - QD2 LEU 90 far 0 84 0 - 4.2-5.5 Violated in 0 structures by 0.00 A. Peak 5814 from cnoeabs.peaks (1.64, 0.88, 24.74 ppm; 2.91 A): 1 out of 3 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 far 0 65 0 - 3.4-4.1 HB ILE 116 - QD2 LEU 90 far 0 94 0 - 8.7-9.2 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 1.9-2.0 2.1=100 QG2 VAL 104 - QD2 LEU 90 far 0 61 0 - 6.6-7.3 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 3 assignments used, quality = 1.00: * H GLU 91 + HA GLU 91 OK 100 100 100 100 2.8-2.8 2.9=100 HD21 ASN 33 - HA GLU 37 far 0 59 0 - 7.9-9.7 H GLY 101 - HA LYS 96 far 0 67 0 - 8.3-8.7 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; 3.07 A increased from 2.89 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 41 - HA GLU 37 far 0 53 0 - 3.6-5.6 HB2 LEU 38 - HA GLU 37 far 0 48 0 - 5.5-5.6 HB3 GLU 47 - HA LYS 43 far 0 20 0 - 6.0-6.7 HB3 GLU 92 - HA GLU 91 far 0 65 0 - 6.5-6.6 HB3 GLU 92 - HA LYS 96 far 0 39 0 - 6.9-7.7 HG2 GLU 41 - HA LYS 43 far 0 28 0 - 7.7-9.5 HB2 GLU 91 - HA LYS 96 far 0 70 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 5820 from cnoeabs.peaks (2.07, 4.07, 59.13 ppm; 2.78 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 99 100 100 99 2.7-2.7 5830=81, 1600/2.9=38...(13) HB2 LYS 94 + HA GLU 91 OK 68 100 80 85 1.9-3.3 1.8/8195=48, 8194=26...(10) HB2 GLU 47 - HA LYS 43 far 0 23 0 - 4.6-5.3 HB3 GLU 98 - HA LYS 96 far 0 44 0 - 5.4-5.8 HB2 GLU 92 - HA GLU 91 far 0 73 0 - 5.5-5.7 HB2 LYS 94 - HA LYS 96 far 0 70 0 - 7.1-8.4 HB3 GLU 98 - HA GLU 91 far 0 73 0 - 7.7-8.3 HB2 GLU 92 - HA LYS 96 far 0 44 0 - 8.1-8.8 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 2 assignments used, quality = 0.99: * HG2 GLU 91 + HA GLU 91 OK 99 100 100 99 2.5-3.1 1.8/5822=55, 3.0/5830=54...(12) HG2 GLU 91 - HA LYS 96 far 0 70 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 5822 from cnoeabs.peaks (2.29, 4.07, 59.13 ppm; 3.11 A): 2 out of 6 assignments used, quality = 0.99: * HG3 GLU 91 + HA GLU 91 OK 98 100 100 98 2.2-2.6 1.8/5821=65...(12) HB2 GLU 37 + HA GLU 37 OK 32 32 100 100 2.5-2.7 3.0=100 HG2 GLU 47 - HA LYS 43 far 0 28 0 - 4.3-5.6 HG2 GLU 87 - HA GLU 91 far 0 96 0 - 7.5-7.8 HG3 GLU 87 - HA GLU 91 far 0 96 0 - 8.4-8.6 HG3 GLU 91 - HA LYS 96 far 0 70 0 - 8.9-10.2 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 2.9-3.0 1599=100, 1600/1.8=73...(13) H GLY 125 - HB3 GLU 119 far 0 69 0 - 8.8-9.4 H GLY 125 - HB2 GLU 119 far 0 81 0 - 9.3-10.0 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 3.0-3.0 3.0=100 HA LYS 96 - HB2 GLU 91 far 0 96 0 - 8.9-9.7 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): 2 out of 14 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 95 97 2.3-2.6 6927=77, 1783/1781=25...(17) HG2 GLU 119 - HB3 GLU 119 far 0 72 0 - 3.0-3.0 HB2 GLU 92 - HB2 GLU 91 far 0 73 0 - 4.2-4.8 HB2 LYS 94 - HB2 GLU 91 far 0 100 0 - 4.5-6.2 HB3 MET 121 - HB2 GLU 119 far 0 83 0 - 6.3-7.2 HB3 MET 121 - HB3 GLU 119 far 0 71 0 - 6.7-7.3 HB3 PHE 79 - HB2 GLU 119 far 0 86 0 - 7.5-9.8 HB2 GLU 103 - HB2 GLU 119 far 0 53 0 - 8.3-10.7 HB3 PHE 79 - HB3 GLU 119 far 0 74 0 - 8.5-9.3 HB2 GLU 103 - HB3 GLU 119 far 0 44 0 - 8.6-10.5 HB2 GLU 112 - HB2 GLU 119 far 0 64 0 - 9.1-11.6 HB3 GLU 98 - HB2 GLU 91 far 0 73 0 - 9.2-9.8 HB3 GLU 112 - HB2 GLU 119 far 0 67 0 - 9.9-11.2 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 2.3-2.6 3.0=100 HG2 GLN 122 - HB3 GLU 119 far 0 64 0 - 4.3-7.5 HG2 GLN 122 - HB2 GLU 119 far 0 76 0 - 5.3-8.5 Violated in 0 structures by 0.00 A. Peak 5828 from cnoeabs.peaks (2.29, 2.13, 28.97 ppm; 3.05 A increased from 2.87 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 87 - HB2 GLU 91 far 0 96 0 - 7.7-8.1 HB2 MET 121 - HB2 GLU 119 far 0 89 0 - 7.9-8.7 HB2 MET 121 - HB3 GLU 119 far 0 77 0 - 7.9-8.7 HG3 GLU 87 - HB2 GLU 91 far 0 96 0 - 7.9-8.4 Violated in 0 structures by 0.00 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 2.2-2.2 1600=100, 1599/1.8=80...(11) Violated in 0 structures by 0.00 A. Peak 5830 from cnoeabs.peaks (4.07, 2.07, 28.97 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.7-2.7 3.0=97, 2.9/1600=44...(14) 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 7 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 far 0 35 0 - 3.2-4.4 HG3 GLN 83 - HB3 GLU 112 far 0 37 0 - 5.2-6.1 HB3 GLU 92 - HB3 GLU 91 far 0 65 0 - 6.8-7.0 HG3 GLN 83 - HB2 GLU 13 far 0 56 0 - 9.1-10.3 HG2 GLU 21 - HB2 GLU 13 far 0 32 0 - 9.6-10.6 HB2 GLU 119 - HB3 GLU 112 far 0 37 0 - 9.9-11.2 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 3.0-3.0 3.0=100 HB2 ASP 110 - HB2 GLU 13 far 0 63 0 - 3.8-5.9 HB2 ASP 110 - HB3 GLU 112 far 0 41 0 - 6.9-7.5 HG2 GLN 85 - HB3 GLU 112 far 0 34 0 - 9.1-13.0 HG3 GLN 85 - HB3 GLU 112 far 0 31 0 - 9.5-13.3 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 = 0.93: * HG3 GLU 91 + HB3 GLU 91 OK 93 100 100 93 2.3-2.6 3.0=77, 5822/5830=29...(9) HG2 GLU 111 - HB3 GLU 112 far 0 41 0 - 4.4-7.5 HG3 GLU 111 - HB3 GLU 112 far 0 21 0 - 4.4-7.8 HG2 GLU 87 - HB3 GLU 91 far 0 96 0 - 6.1-6.5 HG3 GLU 87 - HB3 GLU 91 far 0 96 0 - 6.5-6.8 HG2 GLU 111 - HB2 GLU 13 far 0 63 0 - 7.5-10.9 HG3 GLU 111 - HB2 GLU 13 far 0 34 0 - 7.9-12.1 Violated in 0 structures by 0.00 A. Peak 5835 from cnoeabs.peaks (7.94, 2.42, 35.05 ppm; 4.88 A increased from 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 4.5-4.6 1601=100, 1599/3.0=93...(11) 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 2 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.5-3.1 4.2=100 HA LYS 96 - HG2 GLU 91 far 0 96 0 - 7.7-9.1 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 2.3-2.6 3.0=100 HB3 GLU 92 - HG2 GLU 91 far 0 65 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 5838 from cnoeabs.peaks (2.07, 2.42, 35.05 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 94 - HG2 GLU 91 far 5 100 5 - 3.4-5.8 HB2 GLU 92 - HG2 GLU 91 far 0 73 0 - 6.0-6.5 HB3 GLU 98 - HG2 GLU 91 far 0 73 0 - 7.2-7.8 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 HG2 GLU 87 - HG2 GLU 91 far 0 96 0 - 8.8-9.2 HG3 GLU 87 - HG2 GLU 91 far 0 96 0 - 9.4-9.6 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 4.1-4.2 1602=100, 1600/5834=89...(12) 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 2 assignments used, quality = 1.00: * HA GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-2.6 4.2=100 HA LYS 96 - HG3 GLU 91 far 0 96 0 - 8.9-10.2 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 3.0-3.0 3.0=100 HB3 GLU 92 - HG3 GLU 91 far 0 65 0 - 7.8-8.1 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 2.3-2.6 3.0=100 HB2 LYS 94 + HG3 GLU 91 OK 21 100 45 46 3.1-5.1 8194/4.2=32, 10977/11569=20 HB2 GLU 92 - HG3 GLU 91 far 0 73 0 - 6.9-7.3 HB3 GLU 98 - HG3 GLU 91 far 0 73 0 - 7.4-8.6 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 3.5-3.6 3.6=100 H GLU 128 - HA LYS 123 far 0 92 0 - 7.1-7.8 H SER 99 - HA GLU 92 far 0 90 0 - 9.0-9.7 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): 2 out of 12 assignments used, quality = 0.83: HB2 GLU 66 + HA GLU 66 OK 65 67 100 97 2.5-2.7 3.0=76, 3.0/4902=30...(15) HB2 GLU 13 + HA GLU 13 OK 51 52 100 98 2.4-2.7 3.0=76, 3.0/2625=33...(15) ! HB2 GLU 92 - HA GLU 92 far 5 100 5 - 2.6-3.0 HB2 LYS 94 - HA GLU 92 far 0 70 0 - 5.2-6.8 HB3 GLU 91 - HA GLU 92 far 0 73 0 - 5.4-5.4 HB3 MET 67 - HA GLU 66 far 0 85 0 - 6.0-6.1 HB3 GLU 89 - HA GLU 92 far 0 84 0 - 7.1-8.2 HB2 GLU 89 - HA GLU 92 far 0 84 0 - 7.3-8.3 HB VAL 117 - HA GLU 119 far 0 55 0 - 7.4-7.9 HB3 GLU 98 - HA GLU 92 far 0 100 0 - 8.2-9.0 HB3 GLU 87 - HA GLU 92 far 0 84 0 - 9.1-9.5 HB3 GLN 100 - HA GLU 66 far 0 84 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 5850 from cnoeabs.peaks (2.11, 4.03, 59.25 ppm; 2.70 A): 2 out of 12 assignments used, quality = 1.00: * HB3 GLU 92 + HA GLU 92 OK 99 100 100 99 2.3-2.7 3.0=73, 1.8/5854=38...(27) HB3 GLU 119 + HA GLU 119 OK 52 53 100 98 2.4-2.6 3.0=73, 3.0/6926=27...(22) HB2 GLU 119 - HA GLU 119 far 2 49 5 - 2.5-3.0 HB3 GLU 66 - HA GLU 66 far 0 64 0 - 3.0-3.0 HB2 GLU 91 - HA GLU 92 far 0 65 0 - 3.8-3.8 HB3 GLU 69 - HA GLU 66 far 0 51 0 - 4.4-5.0 HB3 GLU 119 - HA LYS 123 far 0 88 0 - 6.7-7.3 HB2 LEU 38 - HA GLU 66 far 0 81 0 - 7.4-7.8 HB2 GLU 119 - HA LYS 123 far 0 82 0 - 7.8-8.4 HB2 GLU 21 - HA GLU 119 far 0 50 0 - 9.1-10.6 HB2 GLU 87 - HA GLU 92 far 0 84 0 - 9.3-9.8 HG2 GLU 21 - HA GLU 13 far 0 64 0 - 9.8-11.2 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 4 assignments used, quality = 0.84: HG3 GLU 13 + HA GLU 13 OK 60 61 100 100 3.0-3.4 1.8/2625=71, 2633/3.0=66...(14) * HG2 GLU 92 + HA GLU 92 OK 60 100 60 100 2.2-4.2 5868/3.0=65, 4.0=63...(18) HG3 GLU 89 - HA GLU 92 far 0 99 0 - 8.1-9.1 HG3 GLU 103 - HA GLU 119 far 0 53 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 5852 from cnoeabs.peaks (2.27, 4.03, 59.25 ppm; 3.31 A increased from 3.11 A): 2 out of 6 assignments used, quality = 0.98: * HG3 GLU 92 + HA GLU 92 OK 95 100 95 100 2.6-3.7 5858/3.0=63, 5872=61...(22) HG2 GLU 69 + HA GLU 66 OK 56 79 90 78 2.9-4.2 5017/8133=49, 5872=39 HG2 GLU 89 - HA GLU 92 far 0 100 0 - 7.6-9.7 HG2 GLU 103 - HA GLU 119 far 0 50 0 - 8.7-12.8 HG2 GLU 103 - HA LYS 123 far 0 84 0 - 9.4-11.6 HG3 GLU 111 - HA GLU 13 far 0 63 0 - 9.9-14.2 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 3 assignments used, quality = 1.00: * H GLU 92 + HB2 GLU 92 OK 100 100 100 100 2.2-2.6 1605=100, 1608/5858=51...(21) H PHE 93 + HB2 GLU 92 OK 70 77 95 96 2.3-3.5 581=70, 582/1.8=47...(7) H SER 99 - HB3 GLN 100 far 0 46 0 - 4.5-5.9 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 2.6-3.0 3.0=93, 4886/1.8=70...(28) HA GLU 13 + HB2 GLU 13 OK 50 50 100 100 2.4-2.7 3.0=93, 2625/3.0=38...(16) HA GLU 87 - HB2 GLU 92 far 0 100 0 - 7.5-7.9 HA GLU 66 - HB3 GLN 100 far 0 54 0 - 9.9-11.3 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 8 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 - 4.2-4.8 HB3 GLU 69 - HB3 GLN 100 far 0 31 0 - 7.1-9.3 HB2 GLU 111 - HB2 GLU 13 far 0 48 0 - 8.6-10.6 HB2 GLU 87 - HB2 GLU 92 far 0 84 0 - 8.6-9.2 HG3 GLN 83 - HB2 GLU 13 far 0 44 0 - 9.1-10.3 HG2 GLU 21 - HB2 GLU 13 far 0 53 0 - 9.6-10.6 HG3 GLU 21 - HB2 GLU 13 far 0 53 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 5857 from cnoeabs.peaks (2.32, 2.05, 28.93 ppm; 3.04 A increased from 2.70 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 92 + HB2 GLU 92 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 13 + HB2 GLU 13 OK 50 50 100 100 3.0-3.0 3.0=100 HG3 GLU 89 - HB2 GLU 92 far 0 99 0 - 5.5-6.5 HG3 GLU 103 - HB3 GLN 100 far 0 53 0 - 8.9-11.8 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 = 0.97: * HG3 GLU 92 + HB2 GLU 92 OK 97 100 100 97 2.3-2.6 3.0=68, ~5868=32...(22) HG2 GLU 89 - HB2 GLU 92 far 0 100 0 - 4.8-6.9 HG2 GLU 69 - HB3 GLN 100 far 0 52 0 - 6.5-10.4 HG3 GLU 111 - HB2 GLU 13 far 0 52 0 - 7.9-12.1 HG2 GLU 103 - HB3 GLN 100 far 0 50 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 5859 from cnoeabs.peaks (8.09, 2.11, 28.93 ppm; 3.52 A increased from 3.31 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 92 + HB3 GLU 92 OK 100 100 100 100 3.5-3.6 1605/1.8=84, 4.0=68...(15) H PHE 93 + HB3 GLU 92 OK 71 77 95 96 2.9-3.8 582=70, 581/1.8=61...(6) Violated in 0 structures by 0.00 A. Peak 5860 from cnoeabs.peaks (4.03, 2.11, 28.93 ppm; 2.87 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 92 + HB3 GLU 92 OK 100 100 100 100 2.3-2.7 3.0=87, 5854/1.8=43...(29) HA GLU 119 + HB3 GLU 119 OK 90 90 100 99 2.4-2.6 3.0=87, 6911/3.0=37...(22) HA GLU 119 - HB2 GLU 119 far 4 79 5 - 2.5-3.0 HA PHE 120 - HB2 GLU 119 far 0 70 0 - 4.1-5.6 HA PHE 120 - HB3 GLU 119 far 0 81 0 - 4.1-4.5 HA LYS 123 - HB3 GLU 119 far 0 87 0 - 6.7-7.3 HA LYS 123 - HB2 GLU 119 far 0 76 0 - 7.8-8.4 HA GLU 87 - HB3 GLU 92 far 0 100 0 - 9.2-9.5 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 7 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 - 5.4-6.9 HB2 GLU 89 - HB3 GLU 92 far 0 84 0 - 5.8-7.3 HB VAL 117 - HB2 GLU 119 far 0 78 0 - 6.5-7.6 HB2 LYS 94 - HB3 GLU 92 far 0 70 0 - 6.7-8.1 HB3 GLU 91 - HB3 GLU 92 far 0 73 0 - 6.8-7.0 HB VAL 117 - HB3 GLU 119 far 0 89 0 - 8.1-8.7 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 2.4-2.6 5868=100, ~5858=38...(23) HG3 GLU 89 - HB3 GLU 92 far 0 99 0 - 6.9-8.0 HG3 GLU 103 - HB2 GLU 119 far 0 76 0 - 7.1-11.8 HG3 GLU 103 - HB3 GLU 119 far 0 87 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 5864 from cnoeabs.peaks (2.27, 2.11, 28.93 ppm; 3.11 A increased from 2.76 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 92 + HB3 GLU 92 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 89 - HB3 GLU 92 far 0 100 0 - 6.1-8.4 HG2 GLU 103 - HB2 GLU 119 far 0 73 0 - 6.5-11.1 HG2 GLU 103 - HB3 GLU 119 far 0 84 0 - 6.8-10.7 Violated in 0 structures by 0.00 A. Peak 5865 from cnoeabs.peaks (8.09, 2.32, 36.01 ppm; 3.70 A): 1 out of 5 assignments used, quality = 0.95: * H GLU 92 + HG2 GLU 92 OK 95 100 95 100 3.3-3.9 1607=91, 1608/1.8=75...(19) H PHE 93 - HG2 GLU 92 far 4 77 5 - 3.3-5.0 H PHE 93 - HG3 GLU 89 far 0 72 0 - 5.5-7.8 H GLU 92 - HG3 GLU 89 far 0 97 0 - 5.9-7.0 H SER 99 - HG3 GLU 103 far 0 51 0 - 9.7-11.7 Violated in 1 structures by 0.01 A. Peak 5866 from cnoeabs.peaks (4.03, 2.32, 36.01 ppm; 3.46 A increased from 3.07 A): 2 out of 7 assignments used, quality = 0.97: HA GLU 13 + HG3 GLU 13 OK 92 92 100 100 3.0-3.4 2625/1.8=71, 2611=69...(14) * HA GLU 92 + HG2 GLU 92 OK 60 100 60 100 2.2-4.2 3.0/5868=66, 4.0=65...(18) HA GLU 87 - HG3 GLU 89 far 0 97 0 - 4.8-7.0 HA PHE 120 - HG3 GLU 103 far 0 53 0 - 6.3-8.8 HA GLU 92 - HG3 GLU 89 far 0 97 0 - 8.1-9.1 HA GLU 87 - HG2 GLU 92 far 0 100 0 - 8.6-9.7 HA GLU 119 - HG3 GLU 103 far 0 61 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 5867 from cnoeabs.peaks (2.05, 2.32, 36.01 ppm; 2.70 A increased from 2.40 A): 4 out of 22 assignments used, quality = 0.94: HB2 GLU 89 + HG3 GLU 89 OK 64 78 85 95 2.3-3.0 5756=77, ~5761=20...(15) HB2 GLU 48 + HG3 GLU 48 OK 61 82 85 88 2.3-3.0 3.0=73, ~4089=25...(5) * HB2 GLU 92 + HG2 GLU 92 OK 40 100 40 99 2.3-3.0 3.0=73, 5858/1.8=66...(17) HB3 GLU 48 + HG3 GLU 48 OK 28 82 40 86 2.3-3.0 3.0=73, 4088/1.8=32...(5) HB3 GLU 89 - HG3 GLU 89 far 12 78 15 - 2.6-3.0 HB2 GLU 13 - HG3 GLU 13 far 0 82 0 - 3.0-3.0 HB3 GLU 89 - HG2 GLU 92 far 0 84 0 - 3.9-7.6 HB2 GLU 47 - HG3 GLU 48 far 0 99 0 - 3.9-8.0 HB2 GLU 89 - HG2 GLU 92 far 0 84 0 - 5.0-8.3 HB2 GLU 92 - HG3 GLU 89 far 0 97 0 - 5.5-6.5 HB3 GLU 91 - HG2 GLU 92 far 0 73 0 - 6.0-7.2 HG3 GLU 52 - HG3 GLU 48 far 0 92 0 - 6.5-13.7 HB3 GLU 91 - HG3 GLU 89 far 0 68 0 - 6.7-8.1 HB3 GLN 85 - HG3 GLU 89 far 0 78 0 - 6.8-9.9 HB3 GLU 87 - HG3 GLU 89 far 0 78 0 - 6.9-8.4 HB2 LYS 94 - HG2 GLU 92 far 0 70 0 - 7.2-9.2 HB2 LYS 94 - HG3 GLU 89 far 0 64 0 - 8.3-11.3 HB3 GLU 98 - HG3 GLU 103 far 0 64 0 - 8.4-10.6 HB3 GLN 100 - HG3 GLU 103 far 0 61 0 - 8.9-11.8 HB2 LYS 94 - HG3 GLU 103 far 0 37 0 - 9.4-12.4 HB3 GLU 87 - HG2 GLU 92 far 0 84 0 - 9.5-10.3 HB2 GLN 28 - HG3 GLU 48 far 0 92 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 5868 from cnoeabs.peaks (2.11, 2.32, 36.01 ppm; 2.71 A increased from 2.41 A): 1 out of 12 assignments used, quality = 0.98: * HB3 GLU 92 + HG2 GLU 92 OK 98 100 100 98 2.4-2.6 5863=88, ~5858=35...(15) HB3 GLU 47 - HG3 GLU 48 far 0 99 0 - 2.9-7.4 HB2 GLU 91 - HG2 GLU 92 far 0 65 0 - 4.4-6.2 HG2 GLU 52 - HG3 GLU 48 far 0 96 0 - 5.7-13.1 HB2 GLU 87 - HG3 GLU 89 far 0 78 0 - 6.6-8.2 HB3 GLU 92 - HG3 GLU 89 far 0 97 0 - 6.9-8.0 HB2 GLU 119 - HG3 GLU 103 far 0 53 0 - 7.1-11.8 HB2 GLU 91 - HG3 GLU 89 far 0 61 0 - 7.1-8.3 HB3 GLU 119 - HG3 GLU 103 far 0 58 0 - 7.7-10.6 HB2 GLU 87 - HG2 GLU 92 far 0 84 0 - 9.1-10.2 HB VAL 107 - HG3 GLU 103 far 0 55 0 - 9.6-14.0 HG3 GLN 83 - HG3 GLU 13 far 0 84 0 - 9.7-11.5 Violated in 0 structures by 0.00 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 5 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 HG3 GLU 92 - HG3 GLU 89 far 0 97 0 - 5.3-7.4 HG2 GLU 89 - HG2 GLU 92 far 0 100 0 - 6.2-9.4 Violated in 0 structures by 0.00 A. Peak 5871 from cnoeabs.peaks (8.09, 2.27, 36.01 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 92 + HG3 GLU 92 OK 100 100 100 100 2.2-3.1 1608=100, 5865/1.8=79...(21) H PHE 93 - HG3 GLU 92 far 4 77 5 - 1.6-4.7 H GLU 92 - HG2 GLU 89 far 0 100 0 - 5.9-7.5 H PHE 93 - HG2 GLU 89 far 0 76 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 5872 from cnoeabs.peaks (4.03, 2.27, 36.01 ppm; 3.31 A increased from 3.11 A): 2 out of 9 assignments used, quality = 0.98: * HA GLU 92 + HG3 GLU 92 OK 95 100 95 100 2.6-3.7 5852=63, 3.0/5858=63...(22) HA GLU 66 + HG2 GLU 69 OK 60 86 90 77 2.9-4.2 8132/3.0=48, 5852=37 HA GLU 87 - HG2 GLU 89 far 0 99 0 - 4.8-7.9 HA PHE 120 - HG2 GLU 103 far 0 48 0 - 5.4-8.6 HA GLU 87 - HG3 GLU 92 far 0 100 0 - 7.4-8.3 HA GLU 92 - HG2 GLU 89 far 0 100 0 - 7.6-9.7 HA GLU 119 - HG2 GLU 103 far 0 55 0 - 8.7-12.8 HA LYS 123 - HG2 GLU 103 far 0 53 0 - 9.4-11.6 HA GLU 13 - HG3 GLU 111 far 0 96 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 5873 from cnoeabs.peaks (2.05, 2.27, 36.01 ppm; 2.62 A increased from 2.46 A): 3 out of 19 assignments used, quality = 1.00: * HB2 GLU 92 + HG3 GLU 92 OK 100 100 100 100 2.3-2.6 5858=97, ~5863=30...(17) HB3 GLU 89 + HG2 GLU 89 OK 78 83 100 94 2.3-2.6 3.0=66, ~5762=31...(14) HB2 GLU 89 + HG2 GLU 89 OK 48 83 60 95 2.3-3.0 3.0=66, 5756/1.8=48...(16) HB3 GLU 89 - HG3 GLU 92 far 0 84 0 - 4.5-6.6 HB2 GLU 92 - HG2 GLU 89 far 0 100 0 - 4.8-6.9 HB3 GLU 91 - HG3 GLU 92 far 0 73 0 - 4.9-6.3 HB2 GLU 66 - HG2 GLU 69 far 0 70 0 - 5.3-5.9 HB2 GLU 89 - HG3 GLU 92 far 0 84 0 - 5.4-7.1 HB2 LYS 94 - HG3 GLU 92 far 0 70 0 - 6.4-8.7 HB3 GLN 100 - HG2 GLU 69 far 0 87 0 - 6.5-10.4 HB3 MET 67 - HG2 GLU 69 far 0 89 0 - 6.6-7.8 HB3 GLN 85 - HG2 GLU 89 far 0 83 0 - 6.7-9.8 HB3 GLU 91 - HG2 GLU 89 far 0 73 0 - 6.8-9.0 HB3 GLU 87 - HG2 GLU 89 far 0 83 0 - 6.9-9.6 HB2 GLU 13 - HG3 GLU 111 far 0 86 0 - 7.9-12.1 HB3 GLU 87 - HG3 GLU 92 far 0 84 0 - 8.2-9.3 HB2 LYS 94 - HG2 GLU 89 far 0 69 0 - 8.9-11.6 HB3 GLN 100 - HG2 GLU 103 far 0 55 0 - 9.0-12.3 HB3 GLU 98 - HG2 GLU 103 far 0 57 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 5874 from cnoeabs.peaks (2.11, 2.27, 36.01 ppm; 3.09 A increased from 2.47 A): 3 out of 16 assignments used, quality = 1.00: * HB3 GLU 92 + HG3 GLU 92 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 111 + HG3 GLU 111 OK 93 93 100 100 2.3-3.0 3.0=100 HB3 GLU 69 + HG2 GLU 69 OK 53 53 100 100 2.5-3.0 3.0=100 HB2 GLU 91 - HG3 GLU 92 far 0 65 0 - 3.5-5.5 HB3 GLU 66 - HG2 GLU 69 far 0 67 0 - 5.7-6.7 HB3 GLU 92 - HG2 GLU 89 far 0 100 0 - 6.1-8.4 HB2 GLU 119 - HG2 GLU 103 far 0 48 0 - 6.5-11.1 HB2 GLU 87 - HG2 GLU 89 far 0 83 0 - 6.6-8.8 HB3 GLU 119 - HG2 GLU 103 far 0 53 0 - 6.8-10.7 HG3 GLU 21 - HG3 GLU 111 far 0 98 0 - 6.9-10.5 HB2 GLU 91 - HG2 GLU 89 far 0 65 0 - 7.3-9.0 HG2 GLU 21 - HG3 GLU 111 far 0 99 0 - 7.7-11.4 HB2 GLU 87 - HG3 GLU 92 far 0 84 0 - 7.9-9.5 HB VAL 107 - HG3 GLU 111 far 0 91 0 - 8.6-11.9 HB2 GLU 21 - HG3 GLU 111 far 0 91 0 - 9.2-12.2 HG3 GLN 83 - HG3 GLU 111 far 0 89 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 5875 from cnoeabs.peaks (2.32, 2.27, 36.01 ppm; 2.40 A): 3 out of 5 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 HG3 GLU 89 - HG3 GLU 92 far 0 99 0 - 5.3-7.4 HG2 GLU 92 - HG2 GLU 89 far 0 100 0 - 6.2-9.4 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 2.8-2.9 3.0=100 H SER 99 + HA SER 99 OK 98 98 100 100 2.8-2.9 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 - 8.1-8.5 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 2.5-2.6 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 3.0-3.0 3.0=100 HE2 LYS 94 - HA PHE 93 far 0 70 0 - 7.4-9.7 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 1 assignment used, quality = 0.99: * QD PHE 93 + HA PHE 93 OK 99 100 100 99 1.9-2.2 3.7=99 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 2 assignments used, quality = 1.00: * H PHE 93 + HB2 PHE 93 OK 100 100 100 100 2.4-2.7 3.6=100 H GLU 92 - HB2 PHE 93 far 0 77 0 - 5.3-5.6 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 1 assignment used, quality = 1.00: * HA PHE 93 + HB2 PHE 93 OK 100 100 100 100 2.5-2.6 3.0=100 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 - 8.2-10.5 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 2.7-2.8 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): 1 out of 4 assignments used, quality = 1.00: * H PHE 93 + HB3 PHE 93 OK 100 100 100 100 2.5-2.7 3.6=100 H GLU 92 - HB3 PHE 93 far 0 77 0 - 5.2-5.5 H GLU 128 - HB2 PHE 51 far 0 47 0 - 8.0-13.4 H SER 99 - HB3 PHE 93 far 0 99 0 - 9.7-10.0 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 3.0-3.0 3.0=100 HA GLU 98 - HB3 PHE 93 far 0 99 0 - 9.6-10.0 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 2.3-2.3 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 2 assignments used, quality = 0.94: * HA PHE 93 + QD PHE 93 OK 94 94 100 100 1.9-2.2 3.7=100 HA GLU 98 - QD PHE 93 far 0 92 0 - 8.7-9.1 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 2.7-2.8 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 2.3-2.3 2.4=100 HE2 LYS 94 - QD PHE 93 far 0 60 0 - 8.0-9.4 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 1 assignment used, quality = 0.94: * QE PHE 93 + QD PHE 93 OK 94 94 100 100 2.2-2.2 2.2=100 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 2.8-2.8 3.0=100 H LEU 80 - HA LYS 94 far 0 99 0 - 9.0-9.4 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): 1 out of 4 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 far 0 70 0 - 6.0-6.4 HB3 GLU 91 - HA LYS 94 far 0 100 0 - 7.3-7.6 HB2 GLU 92 - HA LYS 94 far 0 70 0 - 7.3-8.1 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 7 assignments used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 82 - HA LYS 94 far 0 100 0 - 5.5-6.2 HB3 LEU 90 - HA LYS 94 far 0 84 0 - 7.3-7.6 HB2 LEU 80 - HA LYS 94 far 0 65 0 - 7.3-7.8 HB2 LYS 106 - HA LYS 94 far 0 61 0 - 8.0-9.1 HG3 ARG 105 - HA LYS 94 far 0 70 0 - 9.1-10.0 HB2 LEU 68 - HA LYS 94 far 0 87 0 - 9.8-10.4 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 3 assignments used, quality = 1.00: * HG2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.6-3.7 4.0=92, 1.8/5930=77...(14) HB3 LEU 68 - HA LYS 94 far 0 87 0 - 9.6-10.3 HB3 LEU 81 - HA LYS 94 far 0 84 0 - 9.7-10.5 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 2.4-2.9 4.0=86, 1.8/5929=72...(17) 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 3.7-4.9 4.7=100 HD3 LYS 94 + HA LYS 94 OK 100 100 100 100 4.0-4.6 4.7=100 HG2 LYS 65 - HA LYS 94 far 0 87 0 - 8.4-10.9 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 3.7-4.9 4.7=100 * HD3 LYS 94 + HA LYS 94 OK 100 100 100 100 4.0-4.6 4.7=100 HG2 LYS 65 - HA LYS 94 far 0 87 0 - 8.4-10.9 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 2.2-2.9 3.9=100 H LEU 80 - HB2 LYS 94 far 0 99 0 - 9.5-11.5 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 82 - HB2 LYS 94 far 0 100 0 - 5.2-7.3 HB3 LEU 90 - HB2 LYS 94 far 0 84 0 - 5.8-6.9 HB2 LYS 106 - HB2 LYS 94 far 0 61 0 - 6.5-7.6 HG3 ARG 105 - HB2 LYS 94 far 0 70 0 - 8.0-10.3 HB2 LEU 80 - HB2 LYS 94 far 0 65 0 - 8.5-10.5 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 2 assignments used, quality = 1.00: * HG2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 81 - HB2 LYS 94 far 0 84 0 - 9.8-12.0 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 2.5-3.0 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 2.0-3.8 3.6=100 HD3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-3.6 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 2.0-3.8 3.6=100 * HD3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-3.6 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 2.2-4.3 4.8=100 HB3 PHE 93 + HB2 LYS 94 OK 68 70 100 98 4.6-5.5 4.3/1619=92, 5953/1.8=37...(5) 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 5 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 1.8-3.7 4.8=100 HE2 LYS 96 - HB2 LYS 94 far 0 84 0 - 7.6-11.7 HE3 LYS 96 - HB2 LYS 94 far 0 84 0 - 7.6-11.5 HB3 ASN 88 - HB2 LYS 94 far 0 87 0 - 9.8-11.0 HB2 ASP 86 - HB2 LYS 94 far 0 92 0 - 10.0-11.0 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 2.2-2.9 1620=100, 1619/1.8=88...(13) H LEU 80 - HB3 LYS 94 far 0 99 0 - 9.8-11.3 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 2.3-3.0 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): 1 out of 4 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 far 0 100 0 - 4.6-5.8 HB2 GLU 92 - HB3 LYS 94 far 0 70 0 - 6.1-7.4 HB3 GLU 98 - HB3 LYS 94 far 0 70 0 - 6.6-7.5 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 2 assignments used, quality = 1.00: * HG2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 81 - HB3 LYS 94 far 0 84 0 - 9.7-11.8 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 3.4-3.9 3.6=100 HD3 LYS 94 + HB3 LYS 94 OK 55 100 55 100 2.2-4.2 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 3.4-3.9 3.6=100 * HD3 LYS 94 + HB3 LYS 94 OK 55 100 55 100 2.2-4.2 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 3.2-5.2 4.8=100 HB3 PHE 93 + HB3 LYS 94 OK 64 70 100 92 4.3-4.8 4.3/1620=83, 5943/1.8=28...(5) Violated in 0 structures by 0.00 A. Peak 5955 from cnoeabs.peaks (8.61, 1.37, 24.71 ppm; 5.92 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 94 + HG2 LYS 94 OK 100 100 100 100 4.1-4.6 4.9=100 H ALA 124 - HG2 LYS 77 poor 12 39 30 - 5.7-7.8 H LEU 80 - HG2 LYS 94 far 0 99 0 - 8.7-10.6 H LEU 80 - HG2 LYS 77 far 0 39 0 - 8.8-10.5 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 2.6-3.7 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): 1 out of 9 assignments used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 98 - HG2 LYS 94 far 0 70 0 - 4.3-6.6 HB3 GLU 91 - HG2 LYS 94 far 0 100 0 - 5.8-7.2 HB2 GLU 47 - HG3 LYS 43 far 0 61 0 - 6.2-7.5 HB3 PHE 79 - HG2 LYS 77 far 0 39 0 - 7.2-9.3 HB2 GLU 103 - HG2 LYS 77 far 0 23 0 - 7.4-9.0 HB2 GLU 92 - HG2 LYS 94 far 0 70 0 - 7.9-9.4 HB2 GLU 47 - HG2 LYS 40 far 0 33 0 - 9.0-11.7 HB2 GLU 103 - HG2 LYS 94 far 0 70 0 - 9.6-11.0 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 7 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 0 61 0 - 4.9-8.2 HB3 LEU 82 - HG2 LYS 94 far 0 100 0 - 6.0-8.5 HG3 ARG 105 - HG2 LYS 94 far 0 70 0 - 6.8-9.6 HD3 LYS 123 - HG2 LYS 77 far 0 30 0 - 6.8-9.4 HB3 LEU 90 - HG2 LYS 94 far 0 84 0 - 6.9-8.8 HB2 LEU 80 - HG2 LYS 94 far 0 65 0 - 7.9-9.8 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; 3.15 A increased from 2.66 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 46 - HG3 LYS 43 far 0 64 0 - 4.4-6.5 HG LEU 38 - HG3 LYS 43 far 0 55 0 - 7.3-8.9 HG LEU 38 - HG2 LYS 40 far 0 29 0 - 8.3-9.8 QB ALA 46 - HG2 LYS 40 far 0 35 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 5962 from cnoeabs.peaks (1.54, 1.37, 24.71 ppm; 3.15 A increased from 2.66 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 46 - HG3 LYS 43 far 0 64 0 - 4.4-6.5 HG LEU 38 - HG3 LYS 43 far 0 55 0 - 7.3-8.9 HG LEU 38 - HG2 LYS 40 far 0 29 0 - 8.3-9.8 QB ALA 46 - HG2 LYS 40 far 0 35 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 5963 from cnoeabs.peaks (3.02, 1.37, 24.71 ppm; 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HE2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-3.7 3.8=100 HB3 PHE 93 - HG2 LYS 94 far 0 70 0 - 6.5-6.8 HE2 LYS 123 - HG2 LYS 77 far 0 39 0 - 9.2-11.8 HE3 LYS 123 - HG2 LYS 77 far 0 34 0 - 9.6-11.6 HE2 LYS 49 - HG3 LYS 43 far 0 82 0 - 9.9-19.7 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 9 assignments used, quality = 1.00: * HE3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.1-3.2 3.8=100 HE3 LYS 44 - HG3 LYS 43 far 0 64 0 - 5.9-11.5 HE3 LYS 44 - HG2 LYS 40 far 0 35 0 - 6.5-12.5 HE2 LYS 44 - HG2 LYS 40 far 0 35 0 - 6.9-11.0 HE2 LYS 44 - HG3 LYS 43 far 0 64 0 - 7.2-10.5 HB2 ASP 34 - HG2 LYS 40 far 0 42 0 - 7.5-10.7 HD3 ARG 30 - HG2 LYS 40 far 0 29 0 - 7.6-13.5 HE2 LYS 96 - HG2 LYS 94 far 0 84 0 - 8.7-13.0 HE3 LYS 96 - HG2 LYS 94 far 0 84 0 - 8.7-12.8 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 2 assignments used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 100 100 100 100 4.2-4.5 4.9=100 H LEU 80 - HG3 LYS 94 far 0 99 0 - 8.4-8.8 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 2.4-2.9 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 98 - HG3 LYS 94 far 0 70 0 - 4.6-6.9 HB3 GLU 91 - HG3 LYS 94 far 0 100 0 - 6.9-7.5 HB2 GLU 92 - HG3 LYS 94 far 0 70 0 - 8.6-9.3 HB2 GLU 103 - HG3 LYS 94 far 0 70 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 5968 from cnoeabs.peaks (1.74, 1.32, 24.71 ppm; 4.07 A): 1 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 far 0 100 0 - 4.8-7.4 HB2 LYS 106 - HG3 LYS 94 far 0 61 0 - 5.3-7.7 HB3 LEU 90 - HG3 LYS 94 far 0 84 0 - 6.4-8.7 HG3 ARG 105 - HG3 LYS 94 far 0 70 0 - 6.7-8.4 HB2 LEU 80 - HG3 LYS 94 far 0 65 0 - 7.6-8.1 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 - 8.4-10.4 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 = 0.97: HD3 LYS 94 + HG3 LYS 94 OK 85 100 100 85 2.3-2.7 3.0=74, ~6009=16...(7) * HD2 LYS 94 + HG3 LYS 94 OK 81 100 95 85 2.3-2.9 3.0=74, ~6009=16...(7) 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 = 0.97: * HD3 LYS 94 + HG3 LYS 94 OK 85 100 100 85 2.3-2.7 3.0=74, ~6009=16...(7) HD2 LYS 94 + HG3 LYS 94 OK 81 100 95 85 2.3-2.9 3.0=74, ~6009=16...(7) Violated in 0 structures by 0.00 A. Peak 5973 from cnoeabs.peaks (3.02, 1.32, 24.71 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 3.4-4.2 3.8=100 HB3 PHE 93 - HG3 LYS 94 poor 14 70 20 - 5.7-6.6 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 4 assignments used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 3.4-3.9 3.8=100 HE3 LYS 96 - HG3 LYS 94 far 0 84 0 - 8.6-12.5 HE2 LYS 96 - HG3 LYS 94 far 0 84 0 - 8.8-12.1 HE3 LYS 65 - HG3 LYS 94 far 0 100 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 5975 from cnoeabs.peaks (8.61, 1.54, 30.10 ppm; 5.96 A increased from 5.61 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 94 + HD2 LYS 94 OK 100 100 100 100 4.1-5.9 1619/3.6=98, 1620/3.6=98...(11) H LYS 94 + HD3 LYS 94 OK 100 100 100 100 4.8-5.8 1619/3.6=98, 1620/3.6=98...(11) H LEU 80 - HD2 LYS 94 far 0 99 0 - 8.5-11.4 H LEU 80 - HD3 LYS 94 far 0 99 0 - 9.0-10.7 H THR 108 - HD3 LYS 94 far 0 100 0 - 9.7-13.7 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 3.7-4.9 4.7=100 HA LYS 94 + HD3 LYS 94 OK 100 100 100 100 4.0-4.6 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): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.0-3.8 3.6=100 HB2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.1-3.6 3.6=100 HB3 GLU 98 - HD3 LYS 94 poor 17 70 25 - 3.9-7.6 HB3 GLU 98 - HD2 LYS 94 lone 0 70 35 1 3.7-6.9 HB3 GLU 91 - HD2 LYS 94 far 0 100 0 - 4.5-7.1 HB3 GLU 91 - HD3 LYS 94 far 0 100 0 - 5.1-7.6 HB2 GLU 92 - HD2 LYS 94 far 0 70 0 - 7.6-10.3 HB2 GLU 92 - HD3 LYS 94 far 0 70 0 - 8.4-10.1 HB2 GLU 103 - HD2 LYS 94 far 0 70 0 - 8.7-12.1 HB2 GLU 103 - HD3 LYS 94 far 0 70 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 5978 from cnoeabs.peaks (1.74, 1.54, 30.10 ppm; 3.94 A increased from 3.32 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 3.4-3.9 3.6=100 HB3 LYS 94 + HD3 LYS 94 OK 55 100 55 100 2.2-4.2 3.6=100 HB2 LYS 106 - HD3 LYS 94 far 0 61 0 - 4.2-7.5 HB2 LYS 106 - HD2 LYS 94 far 0 61 0 - 4.6-8.4 HG3 ARG 105 - HD2 LYS 94 far 0 70 0 - 5.5-10.1 HB3 LEU 82 - HD3 LYS 94 far 0 100 0 - 5.8-9.3 HB3 LEU 90 - HD3 LYS 94 far 0 84 0 - 5.9-9.6 HG3 ARG 105 - HD3 LYS 94 far 0 70 0 - 6.4-9.0 HB3 LEU 82 - HD2 LYS 94 far 0 100 0 - 6.6-9.0 HB3 LEU 90 - HD2 LYS 94 far 0 84 0 - 7.4-9.1 HB2 LEU 80 - HD2 LYS 94 far 0 65 0 - 8.5-10.7 HB2 LEU 80 - HD3 LYS 94 far 0 65 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 5979 from cnoeabs.peaks (1.37, 1.54, 30.10 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 81 - HD2 LYS 94 far 0 84 0 - 8.9-12.3 HB3 LEU 81 - HD3 LYS 94 far 0 84 0 - 9.0-11.6 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 + HD3 LYS 94 OK 100 100 100 100 2.3-2.7 3.0=100 * HG3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-2.9 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 + HD2 LYS 94 OK 100 100 100 100 2.3-2.7 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 93 - HD3 LYS 94 far 0 70 0 - 6.7-8.3 HB3 PHE 93 - HD2 LYS 94 far 0 70 0 - 6.8-8.1 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 6 assignments used, quality = 1.00: HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 96 - HD2 LYS 94 far 0 84 0 - 7.2-14.0 HE3 LYS 96 - HD3 LYS 94 far 0 84 0 - 7.3-13.8 HE2 LYS 96 - HD3 LYS 94 far 0 84 0 - 7.9-13.8 HE2 LYS 96 - HD2 LYS 94 far 0 84 0 - 8.2-14.0 Violated in 0 structures by 0.00 A. Peak 5985 from cnoeabs.peaks (8.61, 1.54, 30.10 ppm; 5.96 A increased from 5.61 A): 2 out of 5 assignments used, quality = 1.00: H LYS 94 + HD2 LYS 94 OK 100 100 100 100 4.1-5.9 1619/3.6=98, 1620/3.6=98...(11) * H LYS 94 + HD3 LYS 94 OK 100 100 100 100 4.8-5.8 1619/3.6=98, 1620/3.6=98...(11) H LEU 80 - HD2 LYS 94 far 0 99 0 - 8.5-11.4 H LEU 80 - HD3 LYS 94 far 0 99 0 - 9.0-10.7 H THR 108 - HD3 LYS 94 far 0 100 0 - 9.7-13.7 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 3.7-4.9 4.7=100 * HA LYS 94 + HD3 LYS 94 OK 100 100 100 100 4.0-4.6 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): 2 out of 10 assignments used, quality = 1.00: HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.0-3.8 3.6=100 * HB2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.1-3.6 3.6=100 HB3 GLU 98 - HD3 LYS 94 poor 17 70 25 - 3.9-7.6 HB3 GLU 98 - HD2 LYS 94 lone 0 70 35 1 3.7-6.9 HB3 GLU 91 - HD2 LYS 94 far 0 100 0 - 4.5-7.1 HB3 GLU 91 - HD3 LYS 94 far 0 100 0 - 5.1-7.6 HB2 GLU 92 - HD2 LYS 94 far 0 70 0 - 7.6-10.3 HB2 GLU 92 - HD3 LYS 94 far 0 70 0 - 8.4-10.1 HB2 GLU 103 - HD2 LYS 94 far 0 70 0 - 8.7-12.1 HB2 GLU 103 - HD3 LYS 94 far 0 70 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 5988 from cnoeabs.peaks (1.74, 1.54, 30.10 ppm; 3.94 A increased from 3.32 A): 2 out of 12 assignments used, quality = 1.00: HB3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 3.4-3.9 3.6=100 * HB3 LYS 94 + HD3 LYS 94 OK 55 100 55 100 2.2-4.2 3.6=100 HB2 LYS 106 - HD3 LYS 94 far 0 61 0 - 4.2-7.5 HB2 LYS 106 - HD2 LYS 94 far 0 61 0 - 4.6-8.4 HG3 ARG 105 - HD2 LYS 94 far 0 70 0 - 5.5-10.1 HB3 LEU 82 - HD3 LYS 94 far 0 100 0 - 5.8-9.3 HB3 LEU 90 - HD3 LYS 94 far 0 84 0 - 5.9-9.6 HG3 ARG 105 - HD3 LYS 94 far 0 70 0 - 6.4-9.0 HB3 LEU 82 - HD2 LYS 94 far 0 100 0 - 6.6-9.0 HB3 LEU 90 - HD2 LYS 94 far 0 84 0 - 7.4-9.1 HB2 LEU 80 - HD2 LYS 94 far 0 65 0 - 8.5-10.7 HB2 LEU 80 - HD3 LYS 94 far 0 65 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 5989 from cnoeabs.peaks (1.37, 1.54, 30.10 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: HG2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LEU 81 - HD2 LYS 94 far 0 84 0 - 8.9-12.3 HB3 LEU 81 - HD3 LYS 94 far 0 84 0 - 9.0-11.6 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 + HD3 LYS 94 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-2.9 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 + HD2 LYS 94 OK 100 100 100 100 2.3-2.7 3.0=100 * HE2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 93 - HD3 LYS 94 far 0 70 0 - 6.7-8.3 HB3 PHE 93 - HD2 LYS 94 far 0 70 0 - 6.8-8.1 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 6 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 96 - HD2 LYS 94 far 0 84 0 - 7.2-14.0 HE3 LYS 96 - HD3 LYS 94 far 0 84 0 - 7.3-13.8 HE2 LYS 96 - HD3 LYS 94 far 0 84 0 - 7.9-13.8 HE2 LYS 96 - HD2 LYS 94 far 0 84 0 - 8.2-14.0 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 2.2-4.3 4.8=100 HB3 GLU 91 + HE2 LYS 94 OK 67 100 90 74 4.3-6.5 ~6079=33, ~11106=28...(6) HG2 GLU 119 + HE2 LYS 123 OK 62 92 80 84 5.1-7.7 1.8/11203=45, ~11213=33...(5) HG2 GLU 119 + HE3 LYS 123 OK 22 78 35 80 5.3-7.1 1.8/11203=39, ~11203=37...(4) HB2 GLU 47 - HE2 LYS 49 far 4 77 5 - 4.7-13.5 HB2 GLU 47 - HE3 LYS 49 far 4 77 5 - 6.1-12.6 HB3 GLU 98 - HE2 LYS 94 lone 1 70 75 2 4.6-7.9 HB2 GLN 28 - HE2 LYS 49 far 0 93 0 - 6.7-19.3 HB2 GLU 103 - HE2 LYS 123 far 0 62 0 - 7.0-9.3 HB2 GLU 92 - HE2 LYS 94 far 0 70 0 - 7.3-9.9 HB3 MET 121 - HE3 LYS 123 far 0 77 0 - 7.5-9.8 HB3 MET 121 - HE2 LYS 123 far 0 90 0 - 7.6-10.2 HB3 PHE 79 - HE2 LYS 123 far 0 93 0 - 7.7-10.5 HB2 GLU 103 - HE3 LYS 123 far 0 51 0 - 7.8-9.4 HB2 GLN 28 - HE3 LYS 49 far 0 93 0 - 8.1-19.6 HB3 PHE 79 - HE3 LYS 123 far 0 80 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 5998 from cnoeabs.peaks (1.74, 3.02, 41.78 ppm; 3.16 A): 2 out of 14 assignments used, quality = 0.91: HD3 LYS 123 + HE2 LYS 123 OK 76 76 100 100 2.3-3.0 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 63 63 100 100 2.3-3.0 3.0=100 HB3 LYS 49 - HE3 LYS 49 poor 16 54 30 - 2.0-4.9 HB3 LYS 49 - HE2 LYS 49 poor 16 54 30 - 2.2-4.7 ! HB3 LYS 94 - HE2 LYS 94 far 5 100 5 - 3.2-5.2 HB2 LYS 106 - HE2 LYS 94 far 0 61 0 - 4.1-7.7 HG3 ARG 105 - HE2 LYS 94 far 0 70 0 - 6.5-10.4 HG2 ARG 118 - HE2 LYS 123 far 0 92 0 - 6.7-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 62 0 - 6.9-11.8 HB3 LEU 90 - HE2 LYS 94 far 0 84 0 - 7.4-9.4 HB3 LEU 82 - HE2 LYS 94 far 0 100 0 - 7.8-9.8 HG2 ARG 118 - HE3 LYS 123 far 0 78 0 - 8.4-12.1 HG3 ARG 105 - HE3 LYS 123 far 0 51 0 - 8.6-11.6 HB2 LEU 80 - HE2 LYS 94 far 0 65 0 - 9.9-12.0 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 5 assignments used, quality = 1.00: * HG2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.2-3.7 3.8=100 HG2 LYS 77 - HE2 LYS 123 far 0 73 0 - 9.2-11.8 HB3 LEU 81 - HE2 LYS 123 far 0 76 0 - 9.3-12.2 HG2 LYS 77 - HE3 LYS 123 far 0 60 0 - 9.6-11.6 HG3 LYS 43 - HE2 LYS 49 far 0 99 0 - 9.9-19.7 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 3.4-4.2 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: * HD2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-2.7 3.0=100 HD3 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 - 4.2-11.8 QB ALA 46 - HE2 LYS 49 far 0 80 0 - 5.3-11.4 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: HD2 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.3-2.7 3.0=100 * HD3 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 - 4.2-11.8 QB ALA 46 - HE2 LYS 49 far 0 80 0 - 5.3-11.4 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 13 assignments used, quality = 1.00: * HE3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 44 - HE2 LYS 49 far 0 80 0 - 4.0-18.3 HE3 LYS 44 - HE3 LYS 49 far 0 80 0 - 5.1-17.5 HE2 LYS 44 - HE2 LYS 49 far 0 80 0 - 5.1-17.7 HD3 ARG 30 - HE2 LYS 49 far 0 70 0 - 6.4-20.0 HE2 LYS 44 - HE3 LYS 49 far 0 80 0 - 6.4-17.6 HD3 ARG 30 - HE3 LYS 49 far 0 70 0 - 7.0-20.8 HE2 LYS 115 - HE2 LYS 123 far 0 89 0 - 7.5-15.1 HE3 LYS 96 - HE2 LYS 94 far 0 84 0 - 8.0-14.6 HE2 LYS 115 - HE3 LYS 123 far 0 75 0 - 8.5-15.6 HE3 LYS 115 - HE3 LYS 123 far 0 75 0 - 8.6-15.5 HE3 LYS 115 - HE2 LYS 123 far 0 89 0 - 8.6-15.0 HE2 LYS 96 - HE2 LYS 94 far 0 84 0 - 8.8-14.5 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 30 assignments used, quality = 0.99: * HB2 LYS 94 + HE3 LYS 94 OK 98 100 100 98 1.8-3.7 3.0/6009=73, 4.8=64...(8) HB2 GLU 13 + HE3 LYS 16 OK 33 89 60 61 2.7-7.3 ~11216=27, ~3699=23...(4) HB2 GLU 13 - HE2 LYS 16 poor 19 89 35 61 2.5-6.9 ~11216=27, ~3699=23...(4) HB3 GLU 91 - HE3 LYS 94 poor 18 100 50 35 3.7-5.7 3.0/6079=20, ~11106=12 HG2 GLU 119 - HE2 LYS 115 far 9 86 10 - 3.6-8.9 HB2 GLU 112 - HE3 LYS 115 far 7 67 10 - 3.4-8.2 HB2 GLU 112 - HE2 LYS 115 far 7 67 10 - 3.5-8.0 HB2 GLU 47 - HE2 LYS 44 far 2 48 5 - 3.1-7.2 HB2 GLU 47 - HE3 LYS 44 far 2 48 5 - 4.1-7.0 HG2 GLU 119 - HE3 LYS 115 far 0 86 0 - 4.3-9.0 HB3 GLU 112 - HE3 LYS 115 far 0 70 0 - 4.6-9.2 HB3 GLU 112 - HE2 LYS 115 far 0 70 0 - 4.7-8.9 HB2 GLU 92 - HE3 LYS 96 far 0 40 0 - 5.2-10.9 HB2 GLU 92 - HE2 LYS 96 far 0 40 0 - 5.2-11.6 HB3 GLU 98 - HE3 LYS 94 far 0 70 0 - 5.6-7.4 HB3 GLU 98 - HE3 LYS 96 far 0 40 0 - 6.2-10.5 HB2 GLN 28 - HE3 LYS 44 far 0 61 0 - 6.5-14.1 HB2 GLN 28 - HE2 LYS 44 far 0 61 0 - 6.5-13.6 HB3 GLU 98 - HE2 LYS 96 far 0 40 0 - 6.7-10.4 HB3 GLU 69 - HE3 LYS 65 far 0 61 0 - 7.0-10.7 HB3 GLU 69 - HE2 LYS 65 far 0 61 0 - 7.1-10.4 HB2 GLU 92 - HE3 LYS 94 far 0 70 0 - 7.3-9.7 HB2 LYS 94 - HE2 LYS 96 far 0 68 0 - 7.6-11.7 HB2 LYS 94 - HE3 LYS 96 far 0 68 0 - 7.6-11.5 HB3 GLU 69 - HE3 LYS 96 far 0 35 0 - 8.7-16.4 HB3 GLU 69 - HE2 LYS 96 far 0 35 0 - 8.8-16.5 HB3 GLU 91 - HE2 LYS 96 far 0 68 0 - 9.0-14.9 HB3 GLU 91 - HE3 LYS 96 far 0 68 0 - 9.2-14.7 HB3 MET 121 - HE3 LYS 115 far 0 85 0 - 9.9-13.7 HB2 GLU 92 - HE3 LYS 65 far 0 69 0 - 10.0-14.8 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 13 assignments used, quality = 0.93: * HG2 LYS 94 + HE3 LYS 94 OK 93 100 100 93 2.1-3.2 3.8=77, 3.0/6007=25...(7) HG3 LYS 43 - HE3 LYS 44 far 0 68 0 - 5.9-11.5 HG2 LYS 40 - HE3 LYS 44 far 0 57 0 - 6.5-12.5 HG2 LYS 40 - HE2 LYS 44 far 0 57 0 - 6.9-11.0 HB3 LEU 68 - HE2 LYS 65 far 0 87 0 - 7.0-10.0 HB3 LEU 68 - HE3 LYS 65 far 0 87 0 - 7.1-10.3 HG3 LYS 43 - HE2 LYS 44 far 0 68 0 - 7.2-10.5 HG LEU 14 - HE3 LYS 16 far 0 84 0 - 8.5-11.6 HG LEU 14 - HE2 LYS 16 far 0 84 0 - 8.5-11.9 HB3 LEU 68 - HE2 LYS 96 far 0 53 0 - 8.6-14.3 HG2 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.7-13.0 HG2 LYS 94 - HE3 LYS 96 far 0 68 0 - 8.7-12.8 HB3 LEU 68 - HE3 LYS 96 far 0 53 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 6010 from cnoeabs.peaks (1.32, 2.92, 41.78 ppm; 3.97 A increased from 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 3.4-3.9 3.8=100 HG3 LYS 94 - HE3 LYS 96 far 0 68 0 - 8.6-12.5 HG3 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.8-12.1 HG3 LYS 94 - HE3 LYS 65 far 0 100 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 6011 from cnoeabs.peaks (1.54, 2.92, 41.78 ppm; 3.09 A): 4 out of 13 assignments used, quality = 1.00: HD3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 65 + HE2 LYS 65 OK 43 87 50 98 2.2-4.2 3.7=58, ~4848=17...(52) HG2 LYS 65 + HE3 LYS 65 OK 38 87 45 98 2.2-4.2 3.7=58, ~4848=17...(52) HG2 LYS 65 - HE2 LYS 96 far 0 53 0 - 5.2-11.9 HG2 LYS 65 - HE3 LYS 96 far 0 53 0 - 6.4-12.6 QB ALA 46 - HE2 LYS 44 far 0 50 0 - 6.9-9.6 QB ALA 46 - HE3 LYS 44 far 0 50 0 - 7.2-9.6 HD2 LYS 94 - HE3 LYS 96 far 0 68 0 - 7.2-14.0 HD3 LYS 94 - HE3 LYS 96 far 0 68 0 - 7.3-13.8 HD3 LYS 94 - HE2 LYS 96 far 0 68 0 - 7.9-13.8 HD2 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.2-14.0 HG LEU 6 - HE3 LYS 65 far 0 69 0 - 9.8-11.6 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 13 assignments used, quality = 1.00: * HD3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 65 + HE2 LYS 65 OK 43 87 50 98 2.2-4.2 3.7=58, ~4848=17...(52) HG2 LYS 65 + HE3 LYS 65 OK 38 87 45 98 2.2-4.2 3.7=58, ~4848=17...(52) HG2 LYS 65 - HE2 LYS 96 far 0 53 0 - 5.2-11.9 HG2 LYS 65 - HE3 LYS 96 far 0 53 0 - 6.4-12.6 QB ALA 46 - HE2 LYS 44 far 0 50 0 - 6.9-9.6 QB ALA 46 - HE3 LYS 44 far 0 50 0 - 7.2-9.6 HD2 LYS 94 - HE3 LYS 96 far 0 68 0 - 7.2-14.0 HD3 LYS 94 - HE3 LYS 96 far 0 68 0 - 7.3-13.8 HD3 LYS 94 - HE2 LYS 96 far 0 68 0 - 7.9-13.8 HD2 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.2-14.0 HG LEU 6 - HE3 LYS 65 far 0 69 0 - 9.8-11.6 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 18 assignments used, quality = 1.00: * HE2 LYS 94 + HE3 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 49 - HE3 LYS 44 far 0 66 0 - 4.0-18.3 HE3 LYS 49 - HE3 LYS 44 far 0 66 0 - 5.1-17.5 HE2 LYS 49 - HE2 LYS 44 far 0 66 0 - 5.1-17.7 HE3 LYS 49 - HE2 LYS 44 far 0 66 0 - 6.4-17.6 HB3 PHE 93 - HE3 LYS 96 far 0 40 0 - 6.6-9.8 HB3 PHE 93 - HE3 LYS 94 far 0 70 0 - 6.9-8.4 HB3 PHE 93 - HE2 LYS 96 far 0 40 0 - 6.9-9.7 HB2 ASN 11 - HE3 LYS 16 far 0 86 0 - 7.0-10.7 HB2 ASN 11 - HE2 LYS 16 far 0 86 0 - 7.0-10.9 HB3 PHE 93 - HE3 LYS 65 far 0 69 0 - 7.5-11.1 HB3 PHE 93 - HE2 LYS 65 far 0 69 0 - 7.5-11.1 HE2 LYS 123 - HE2 LYS 115 far 0 86 0 - 7.5-15.1 HE2 LYS 94 - HE3 LYS 96 far 0 68 0 - 8.0-14.6 HE3 LYS 123 - HE2 LYS 115 far 0 78 0 - 8.5-15.6 HE3 LYS 123 - HE3 LYS 115 far 0 78 0 - 8.6-15.5 HE2 LYS 123 - HE3 LYS 115 far 0 86 0 - 8.6-15.0 HE2 LYS 94 - HE2 LYS 96 far 0 68 0 - 8.8-14.5 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 2.4-3.0 3.0=100 HB2 LYS 96 - HA ARG 95 far 0 99 0 - 5.6-6.5 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 2 assignments used, quality = 1.00: * HB3 ARG 95 + HA ARG 95 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LYS 96 - HA ARG 95 far 0 100 0 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 6019 from cnoeabs.peaks (1.88, 4.15, 59.10 ppm; 3.88 A increased from 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 95 + HA ARG 95 OK 100 100 100 100 3.2-3.8 6040=100, 6027/3.0=85...(21) Violated in 0 structures by 0.00 A. Peak 6020 from cnoeabs.peaks (1.68, 4.15, 59.10 ppm; 3.79 A increased from 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 95 + HA ARG 95 OK 100 100 100 100 2.5-3.8 6048=87, 1.8/6040=72...(22) HD2 LYS 96 - HA ARG 95 far 0 99 0 - 5.0-7.5 HD3 LYS 96 - HA ARG 95 far 0 97 0 - 5.9-8.4 Violated in 1 structures by 0.00 A. Peak 6021 from cnoeabs.peaks (3.22, 4.15, 59.10 ppm; 5.10 A increased from 4.54 A): 2 out of 2 assignments used, quality = 0.99: * HD2 ARG 95 + HA ARG 95 OK 95 100 95 100 2.1-5.5 5.3=91, 2.9/6020=89...(22) HD3 ARG 95 + HA ARG 95 OK 85 100 85 100 2.6-5.5 5.3=91, 2.9/6020=89...(22) Violated in 0 structures by 0.00 A. Peak 6022 from cnoeabs.peaks (3.22, 4.15, 59.10 ppm; 5.10 A increased from 4.54 A): 2 out of 2 assignments used, quality = 0.99: HD2 ARG 95 + HA ARG 95 OK 95 100 95 100 2.1-5.5 5.3=91, 2.9/6020=89...(22) * HD3 ARG 95 + HA ARG 95 OK 85 100 85 100 2.6-5.5 5.3=91, 2.9/6020=89...(22) Violated in 0 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 2.3-2.7 1629=100, 1631/6027=78...(12) 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 2.4-3.0 3.0=100 HA ALA 124 - HB2 GLU 128 far 0 96 0 - 5.3-6.4 HA GLN 122 - HB2 GLU 128 far 0 74 0 - 7.8-9.8 HA GLU 89 - HB2 ARG 95 far 0 100 0 - 8.8-10.0 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 - 4.6-7.0 HB3 GLU 52 - HB2 GLU 128 far 0 62 0 - 9.6-12.1 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 = 0.98: * HG2 ARG 95 + HB2 ARG 95 OK 98 100 100 98 2.3-2.4 6041=93, 1631/6023=21...(16) HG LEU 127 - HB2 GLU 128 far 0 62 0 - 5.6-6.2 Violated in 4 structures by 0.00 A. Peak 6028 from cnoeabs.peaks (1.68, 1.90, 29.82 ppm; 3.40 A): 1 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 poor 13 99 50 27 2.9-8.6 5.7/7789=18, 6077/8327=8, 3863=3 HD3 LYS 96 - HB2 ARG 95 far 0 97 0 - 3.9-9.2 HB2 GLU 52 - HB2 GLU 128 far 0 58 0 - 9.6-12.3 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 = 0.99: * HD2 ARG 95 + HB2 ARG 95 OK 95 100 95 100 2.4-3.9 3.9=92, 2.9/6027=82...(17) HD3 ARG 95 + HB2 ARG 95 OK 90 100 90 100 2.5-4.2 3.9=92, 2.9/6027=82...(17) 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 = 0.99: HD2 ARG 95 + HB2 ARG 95 OK 95 100 95 100 2.4-3.9 3.9=92, 2.9/6027=82...(17) * HD3 ARG 95 + HB2 ARG 95 OK 90 100 90 100 2.5-4.2 3.9=92, 2.9/6027=82...(17) 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 3.6-3.6 1630=100, 1629/1.8=89...(11) 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 2 assignments used, quality = 1.00: * HA ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.4-2.5 3.0=100 HA VAL 22 + HB VAL 22 OK 34 34 100 100 2.4-2.4 3.0=100 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 - 5.4-6.9 HB2 LYS 20 - HB VAL 22 far 0 57 0 - 8.1-8.8 HB ILE 7 - HB VAL 22 far 0 60 0 - 8.2-9.3 HB3 LYS 20 - HB VAL 22 far 0 57 0 - 8.5-8.8 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; 3.08 A increased from 2.47 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 95 + HB3 ARG 95 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 20 - HB VAL 22 far 0 44 0 - 8.1-8.8 HB3 ARG 118 - HB VAL 22 far 0 60 0 - 8.2-10.2 HB ILE 7 - HB VAL 22 far 0 39 0 - 8.2-9.3 HB3 LYS 20 - HB VAL 22 far 0 44 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 6036 from cnoeabs.peaks (1.68, 1.97, 29.82 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.4-2.6 3.0=100 HD2 LYS 96 - HB3 ARG 95 far 0 99 0 - 4.1-7.8 HD3 LYS 96 - HB3 ARG 95 far 0 97 0 - 4.8-8.7 HD2 LYS 20 - HB VAL 22 far 0 48 0 - 8.2-9.4 HD3 LYS 20 - HB VAL 22 far 0 50 0 - 8.2-10.1 HB ILE 54 - HB VAL 22 far 0 59 0 - 9.7-10.3 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 2.2-3.6 3.9=100 HD3 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.2-3.7 3.9=100 HB2 PHE 120 - HB VAL 22 far 0 61 0 - 8.1-9.0 HA ILE 15 - HB VAL 22 far 0 62 0 - 9.3-9.9 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 2.2-3.7 3.9=100 HD2 ARG 95 + HB3 ARG 95 OK 100 100 100 100 2.2-3.6 3.9=100 HB2 PHE 120 - HB VAL 22 far 0 60 0 - 8.1-9.0 HA ILE 15 - HB VAL 22 far 0 61 0 - 9.3-9.9 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 1.9-2.6 1631=100, 1629/6027=86...(16) 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 3.2-3.8 6019=100, 3.0/6027=85...(21) HA GLU 89 - HG2 ARG 95 far 0 100 0 - 7.4-8.3 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 2.3-2.4 6027=100, 6023/1631=22...(16) HB2 LYS 96 - HG2 ARG 95 far 0 99 0 - 4.0-7.7 Violated in 0 structures by 0.00 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 0 100 0 - 4.1-7.0 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): 1 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 HD2 LYS 96 - HG2 ARG 95 far 5 99 5 - 2.5-9.0 HD3 LYS 96 - HG2 ARG 95 far 0 97 0 - 3.7-9.4 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 2.5-3.6 1632=100, 1631/1.8=100...(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 2.5-3.8 6020=100, 6040/1.8=78...(22) HA GLU 89 - HG3 ARG 95 far 0 100 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 6049 from cnoeabs.peaks (1.90, 1.68, 27.31 ppm; 3.11 A increased from 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=100 HB2 LYS 96 - HG3 ARG 95 far 0 99 0 - 3.3-8.2 Violated in 0 structures by 0.00 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 2.4-2.6 3.0=100 HB3 LYS 96 - HG3 ARG 95 far 5 100 5 - 3.7-7.8 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 2.4-3.0 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 2.4-3.0 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 3.0-4.7 1631/2.9=98, 1632/2.9=95...(17) H ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.6-4.7 1631/2.9=98, 1632/2.9=95...(17) 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 = 0.99: * HA ARG 95 + HD2 ARG 95 OK 95 100 95 100 2.1-5.5 6020/2.9=83, 6040/2.9=82...(22) HA ARG 95 + HD3 ARG 95 OK 80 100 80 100 2.6-5.5 6020/2.9=83, 6040/2.9=82...(22) HA GLU 89 - HD3 ARG 95 far 0 100 0 - 7.7-10.7 HA GLU 89 - HD2 ARG 95 far 0 100 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 6057 from cnoeabs.peaks (1.90, 3.22, 43.41 ppm; 4.00 A increased from 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.4-3.9 3.9=100 HB2 ARG 95 + HD3 ARG 95 OK 95 100 95 100 2.5-4.2 3.9=100 HB2 LYS 96 - HD2 ARG 95 far 0 99 0 - 4.9-9.7 HB2 LYS 96 - HD3 ARG 95 far 0 99 0 - 5.2-9.7 Violated in 0 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 2.2-3.6 3.9=100 HB3 ARG 95 + HD3 ARG 95 OK 100 100 100 100 2.2-3.7 3.9=100 HB3 LYS 96 - HD3 ARG 95 far 0 100 0 - 5.7-9.2 HB3 LYS 96 - HD2 ARG 95 far 0 100 0 - 6.2-9.1 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 2.4-3.0 2.9=100 HD2 LYS 96 - HD3 ARG 95 far 5 99 5 - 3.4-10.9 HD3 LYS 96 - HD3 ARG 95 far 0 97 0 - 3.7-11.3 HD2 LYS 96 - HD2 ARG 95 far 0 99 0 - 3.8-10.8 HD3 LYS 96 - HD2 ARG 95 far 0 97 0 - 5.0-11.3 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 2.6-4.7 1631/2.9=98, 1632/2.9=95...(17) H ARG 95 + HD2 ARG 95 OK 100 100 100 100 3.0-4.7 1631/2.9=98, 1632/2.9=95...(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 = 0.99: HA ARG 95 + HD2 ARG 95 OK 95 100 95 100 2.1-5.5 6020/2.9=83, 6040/2.9=82...(22) * HA ARG 95 + HD3 ARG 95 OK 80 100 80 100 2.6-5.5 6020/2.9=83, 6040/2.9=82...(22) HA GLU 89 - HD3 ARG 95 far 0 100 0 - 7.7-10.7 HA GLU 89 - HD2 ARG 95 far 0 100 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 6065 from cnoeabs.peaks (1.90, 3.22, 43.41 ppm; 4.00 A increased from 3.37 A): 2 out of 4 assignments used, quality = 1.00: HB2 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.4-3.9 3.9=100 * HB2 ARG 95 + HD3 ARG 95 OK 95 100 95 100 2.5-4.2 3.9=100 HB2 LYS 96 - HD2 ARG 95 far 0 99 0 - 4.9-9.7 HB2 LYS 96 - HD3 ARG 95 far 0 99 0 - 5.2-9.7 Violated in 0 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 2.2-3.7 3.9=100 HB3 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.2-3.6 3.9=100 HB3 LYS 96 - HD3 ARG 95 far 0 100 0 - 5.7-9.2 HB3 LYS 96 - HD2 ARG 95 far 0 100 0 - 6.2-9.1 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 2.4-3.0 2.9=100 HG3 ARG 95 + HD2 ARG 95 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 96 - HD3 ARG 95 far 5 99 5 - 3.4-10.9 HD3 LYS 96 - HD3 ARG 95 far 0 97 0 - 3.7-11.3 HD2 LYS 96 - HD2 ARG 95 far 0 99 0 - 3.8-10.8 HD3 LYS 96 - HD2 ARG 95 far 0 97 0 - 5.0-11.3 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 2.7-2.8 2.9=100 H LYS 40 + HA GLU 37 OK 30 52 60 97 3.2-3.6 2040=79, 1251/8044=53...(5) H LYS 96 - HA GLU 91 far 0 70 0 - 5.5-6.4 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): 1 out of 9 assignments used, quality = 1.00: * HB2 LYS 96 + HA LYS 96 OK 100 100 100 100 2.6-2.7 3.0=83, 6081/2.9=34...(33) HB2 ARG 95 - HA GLU 91 far 0 68 0 - 4.0-5.9 HB2 ARG 95 - HA LYS 96 far 0 99 0 - 4.1-5.6 HB2 LYS 96 - HA GLU 91 far 0 70 0 - 7.2-9.4 HB2 LYS 43 - HA GLU 37 far 0 54 0 - 7.5-8.1 HB2 LYS 44 - HA GLU 37 far 0 48 0 - 8.3-9.8 HB3 LYS 43 - HA GLU 37 far 0 57 0 - 9.2-9.8 HG LEU 45 - HA GLU 37 far 0 28 0 - 9.8-10.7 HB3 LYS 44 - HA GLU 37 far 0 55 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 6074 from cnoeabs.peaks (1.97, 4.07, 58.93 ppm; 2.97 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 96 + HA LYS 96 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 40 + HA GLU 37 OK 22 28 100 77 2.2-2.4 1.8/8046=42, 8044=33...(4) HB3 ARG 95 - HA LYS 96 far 0 100 0 - 4.4-4.8 HB3 ARG 95 - HA GLU 91 far 0 70 0 - 5.7-6.8 HB3 LYS 96 - HA GLU 91 far 0 70 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 6075 from cnoeabs.peaks (1.44, 4.07, 58.93 ppm; 3.67 A increased from 3.46 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 96 + HA LYS 96 OK 100 100 100 100 2.3-3.5 6102=100, 2.9/6073=74...(28) HG2 LYS 39 - HA GLU 37 far 0 33 0 - 6.2-7.6 HG3 LYS 44 - HA GLU 37 far 0 57 0 - 7.5-8.8 HB3 LEU 63 - HA GLU 37 far 0 39 0 - 8.4-9.3 HG3 ARG 30 - HA GLU 37 far 0 44 0 - 8.6-11.1 HG LEU 80 - HA GLU 91 far 0 70 0 - 9.2-9.9 HG2 LYS 96 - HA GLU 91 far 0 70 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 6076 from cnoeabs.peaks (1.57, 4.07, 58.93 ppm; 3.82 A increased from 3.40 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 96 + HA LYS 96 OK 100 100 100 100 2.2-3.6 4.0=90, 1.8/6102=79...(27) HD3 LYS 106 - HA GLU 91 poor 16 63 55 46 2.7-5.9 ~11469=16, ~10077=14...(4) HD2 LYS 106 - HA GLU 91 far 9 61 15 - 3.4-6.1 HG2 LYS 44 - HA GLU 37 far 0 44 0 - 7.7-9.5 HG3 LYS 96 - HA GLU 91 far 0 70 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 6077 from cnoeabs.peaks (1.68, 4.07, 58.93 ppm; 3.36 A increased from 3.16 A): 1 out of 11 assignments used, quality = 1.00: * HD2 LYS 96 + HA LYS 96 OK 100 100 100 100 2.4-3.2 6122=98, 3.4/6073=54...(39) HD3 LYS 96 - HA LYS 96 far 15 100 15 - 2.2-4.3 HG3 ARG 95 - HA LYS 96 far 15 99 15 - 3.1-6.6 HD2 LYS 40 - HA GLU 37 far 0 57 0 - 3.5-5.7 HG3 ARG 95 - HA GLU 91 far 0 67 0 - 4.0-6.3 HG3 LYS 39 - HA GLU 37 far 0 31 0 - 4.7-6.2 HD3 LYS 40 - HA GLU 37 far 0 57 0 - 4.8-6.0 HD2 LYS 96 - HA GLU 91 far 0 70 0 - 6.6-10.9 HD3 LYS 96 - HA GLU 91 far 0 70 0 - 7.6-10.7 HD2 LYS 43 - HA GLU 37 far 0 57 0 - 8.1-10.8 HD3 LYS 43 - HA GLU 37 far 0 56 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 6078 from cnoeabs.peaks (1.68, 4.07, 58.93 ppm; 3.36 A increased from 3.16 A): 1 out of 12 assignments used, quality = 1.00: HD2 LYS 96 + HA LYS 96 OK 100 100 100 100 2.4-3.2 6132=98, 3.4/6073=54...(39) ! HD3 LYS 96 - HA LYS 96 far 15 100 15 - 2.2-4.3 HG3 ARG 95 - HA LYS 96 far 15 97 15 - 3.1-6.6 HD2 LYS 40 - HA GLU 37 far 0 57 0 - 3.5-5.7 HG3 ARG 95 - HA GLU 91 far 0 65 0 - 4.0-6.3 HG3 LYS 39 - HA GLU 37 far 0 35 0 - 4.7-6.2 HD3 LYS 40 - HA GLU 37 far 0 57 0 - 4.8-6.0 HD2 LYS 96 - HA GLU 91 far 0 70 0 - 6.6-10.9 HD3 LYS 96 - HA GLU 91 far 0 70 0 - 7.6-10.7 HD2 LYS 43 - HA GLU 37 far 0 56 0 - 8.1-10.8 HD3 LYS 43 - HA GLU 37 far 0 57 0 - 8.9-11.0 HD2 LYS 44 - HA GLU 37 far 0 31 0 - 9.8-11.5 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 = 0.75: HE3 LYS 94 + HA GLU 91 OK 45 52 100 86 2.0-4.1 4.8/8194=34, 3981=31...(10) * HE2 LYS 96 + HA LYS 96 OK 35 100 35 100 1.9-5.4 3.0/6078=72, 3.8/6102=56...(21) HE3 LYS 96 + HA LYS 96 OK 30 100 30 100 1.9-5.4 3.0/6078=72, 3.8/6102=56...(21) HE3 LYS 65 - HA LYS 96 far 0 81 0 - 6.3-10.5 HE2 LYS 65 - HA LYS 96 far 0 81 0 - 6.3-11.2 HE3 LYS 44 - HA GLU 37 far 0 57 0 - 7.2-12.0 HE3 LYS 94 - HA LYS 96 far 0 84 0 - 7.5-9.9 HE3 LYS 96 - HA GLU 91 far 0 70 0 - 7.9-12.7 HE2 LYS 44 - HA GLU 37 far 0 57 0 - 8.0-10.9 HE2 LYS 96 - HA GLU 91 far 0 70 0 - 8.0-13.0 HD3 ARG 30 - HA GLU 37 far 0 56 0 - 8.2-11.5 HB2 ASP 86 - HA GLU 91 far 0 69 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6080 from cnoeabs.peaks (2.93, 4.07, 58.93 ppm; 6.20 A): 3 out of 12 assignments used, quality = 1.00: HE2 LYS 96 + HA LYS 96 OK 100 100 100 100 1.9-5.4 3.0/6078=100, 6.3=96...(21) * HE3 LYS 96 + HA LYS 96 OK 100 100 100 100 1.9-5.4 3.0/6078=100, 6.3=96...(21) HE3 LYS 94 + HA GLU 91 OK 52 52 100 99 2.0-4.1 4.8/8194=73, 4.8/8196=69...(10) HE3 LYS 65 - HA LYS 96 far 4 81 5 - 6.3-10.5 HE2 LYS 65 - HA LYS 96 far 0 81 0 - 6.3-11.2 HE3 LYS 44 - HA GLU 37 far 0 57 0 - 7.2-12.0 HE3 LYS 94 - HA LYS 96 far 0 84 0 - 7.5-9.9 HE3 LYS 96 - HA GLU 91 far 0 70 0 - 7.9-12.7 HE2 LYS 44 - HA GLU 37 far 0 57 0 - 8.0-10.9 HE2 LYS 96 - HA GLU 91 far 0 70 0 - 8.0-13.0 HD3 ARG 30 - HA GLU 37 far 0 56 0 - 8.2-11.5 HB2 ASP 86 - HA GLU 91 far 0 69 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 6081 from cnoeabs.peaks (7.79, 1.90, 32.07 ppm; 3.51 A increased from 3.30 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.2-3.5 6091/1.8=81, 2.9/6073=68...(19) H LYS 40 - HB2 LYS 43 far 0 84 0 - 4.8-5.6 H LYS 40 - HB3 LYS 43 far 0 92 0 - 6.4-7.1 H LYS 40 - HB2 LYS 44 far 0 77 0 - 7.3-8.5 H LYS 40 - HB3 LYS 44 far 0 93 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 6082 from cnoeabs.peaks (4.07, 1.90, 32.07 ppm; 2.71 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.6-2.7 6073=93, 2.9/6081=32...(31) HA LYS 44 + HB3 LYS 44 OK 95 96 100 99 2.3-2.5 3903=83, 3904/2.9=33...(30) HA LYS 44 - HB2 LYS 44 far 4 81 5 - 2.7-3.0 HA LYS 44 - HB3 LYS 43 far 0 95 0 - 4.1-4.5 HA LYS 44 - HB2 LYS 43 far 0 88 0 - 4.2-4.7 HA GLU 69 - HB2 LYS 73 far 0 81 0 - 5.6-7.3 HA3 GLY 125 - HB3 LYS 123 far 0 43 0 - 6.8-7.1 HA GLU 91 - HB2 LYS 96 far 0 96 0 - 7.2-9.4 HA GLU 69 - HB3 LYS 73 far 0 78 0 - 7.3-7.8 HA2 GLY 125 - HB3 LYS 123 far 0 31 0 - 7.5-7.7 HA GLU 37 - HB2 LYS 43 far 0 86 0 - 7.5-8.1 HA GLU 37 - HB2 LYS 44 far 0 78 0 - 8.3-9.8 HA GLU 37 - HB3 LYS 43 far 0 93 0 - 9.2-9.8 HA GLU 37 - HB3 LYS 44 far 0 94 0 - 9.9-11.0 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 HB3 GLU 21 - HB2 LYS 20 far 0 74 0 - 4.2-5.8 HB2 LYS 40 - HB2 LYS 43 far 0 50 0 - 5.3-5.9 HB3 ARG 95 - HB2 LYS 96 far 0 100 0 - 5.4-6.9 HB3 GLU 21 - HB3 LYS 20 far 0 74 0 - 5.6-6.2 HB2 LYS 40 - HB2 LYS 44 far 0 44 0 - 6.7-8.2 HB2 LYS 40 - HB3 LYS 43 far 0 56 0 - 6.9-7.6 HB3 GLU 103 - HB3 LYS 123 far 0 26 0 - 7.7-8.4 HB3 GLU 52 - HB3 LYS 44 far 0 57 0 - 8.1-10.8 HB VAL 22 - HB2 LYS 20 far 0 55 0 - 8.1-8.8 HB2 LYS 40 - HB3 LYS 44 far 0 57 0 - 8.3-9.4 HB VAL 22 - HB3 LYS 20 far 0 55 0 - 8.5-8.8 HB3 GLU 52 - HB2 LYS 44 far 0 44 0 - 8.6-11.0 HB VAL 29 - HB2 LYS 20 far 0 41 0 - 9.1-11.0 HB VAL 29 - HB3 LYS 20 far 0 41 0 - 9.4-10.6 HB3 GLU 128 - HB3 LYS 123 far 0 24 0 - 9.7-11.5 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 28 assignments used, quality = 1.00: * HG2 LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.3-2.5 2.9=96, 6102/6073=35...(26) HG3 LYS 44 + HB3 LYS 44 OK 97 97 100 100 2.5-2.7 2.9=91, 2.9/3953=48...(29) HG3 LYS 44 + HB2 LYS 44 OK 82 82 100 100 2.3-2.3 2.9=91, 3905/3.0=30...(44) HG3 LYS 49 - HB3 LYS 44 far 0 61 0 - 4.2-12.8 HG2 LYS 39 - HB2 LYS 43 far 0 57 0 - 4.3-8.4 HG3 LYS 44 - HB2 LYS 43 far 0 90 0 - 5.0-6.2 HG2 LYS 39 - HB3 LYS 43 far 0 64 0 - 5.4-9.5 HG3 ARG 30 - HB2 LYS 44 far 0 66 0 - 5.5-9.1 HG3 LYS 49 - HB2 LYS 44 far 0 47 0 - 5.7-14.0 HG2 LYS 49 - HB3 LYS 44 far 0 61 0 - 5.7-13.0 HG3 LYS 44 - HB3 LYS 43 far 0 96 0 - 5.9-7.1 HG3 LYS 17 - HB2 LYS 20 far 0 60 0 - 5.9-6.5 HG2 LYS 49 - HB2 LYS 44 far 0 47 0 - 6.1-14.3 HG3 ARG 30 - HB3 LYS 44 far 0 82 0 - 6.4-9.8 HG3 LYS 17 - HB3 LYS 20 far 0 60 0 - 7.1-7.8 HG3 LYS 49 - HB3 LYS 43 far 0 60 0 - 7.2-14.7 HG3 LYS 49 - HB2 LYS 43 far 0 53 0 - 7.8-15.6 HG2 LYS 49 - HB3 LYS 43 far 0 60 0 - 8.4-15.3 HG12 ILE 56 - HB2 LYS 44 far 0 63 0 - 8.5-10.2 HG2 LYS 39 - HB2 LYS 44 far 0 51 0 - 8.8-11.4 HG2 LYS 49 - HB2 LYS 43 far 0 53 0 - 9.1-16.4 HG3 ARG 30 - HB2 LYS 43 far 0 73 0 - 9.3-13.2 HB3 LEU 4 - HB2 LYS 44 far 0 82 0 - 9.4-11.5 HB3 LYS 61 - HB2 LYS 96 far 0 96 0 - 9.5-11.3 HG LEU 80 - HB2 LYS 96 far 0 100 0 - 9.5-10.3 HG LEU 4 - HB2 LYS 44 far 0 68 0 - 9.6-12.0 HG12 ILE 56 - HB3 LYS 44 far 0 78 0 - 9.7-11.4 HG2 LYS 39 - HB3 LYS 44 far 0 64 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 6086 from cnoeabs.peaks (1.57, 1.90, 32.07 ppm; 2.82 A): 3 out of 15 assignments used, quality = 1.00: * HG3 LYS 96 + HB2 LYS 96 OK 100 100 100 100 2.4-2.7 2.9=93, 4.0/6073=30...(26) HG2 LYS 44 + HB2 LYS 44 OK 66 66 100 100 2.6-2.7 2.9=89, 3954/3.7=27...(45) HG2 LYS 123 + HB3 LYS 123 OK 37 41 90 100 2.3-3.0 2.9=89, 2.9/7120=33...(26) HG2 LYS 44 - HB3 LYS 44 far 0 82 0 - 3.0-3.0 HG2 LYS 44 - HB2 LYS 43 far 0 73 0 - 3.3-5.7 HG2 LYS 44 - HB3 LYS 43 far 0 81 0 - 4.1-6.4 HB3 LEU 70 - HB2 LYS 73 far 0 93 0 - 4.7-6.5 HB3 LEU 70 - HB3 LYS 73 far 0 90 0 - 6.3-7.1 HG12 ILE 3 - HB3 LYS 123 far 0 37 0 - 8.1-9.9 HB3 LEU 70 - HB2 LYS 43 far 0 90 0 - 8.2-9.3 HB3 LEU 70 - HB3 LYS 43 far 0 97 0 - 8.7-9.8 HG LEU 68 - HB2 LYS 96 far 0 65 0 - 9.2-11.9 HD3 LYS 106 - HB2 LYS 96 far 0 96 0 - 9.7-13.6 HB VAL 78 - HB2 LYS 73 far 0 73 0 - 9.8-11.3 HB3 LEU 70 - HB2 LYS 44 far 0 83 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 6087 from cnoeabs.peaks (1.68, 1.90, 32.07 ppm; 3.09 A increased from 2.60 A): 6 out of 45 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 88 89 100 99 2.1-3.1 3.8=52, 5184/3.0=37...(46) HD3 LYS 43 + HB3 LYS 43 OK 81 96 85 99 2.1-3.6 3.8=52, 4.8/3813=25...(48) HD2 LYS 43 + HB3 LYS 43 OK 72 96 75 99 2.1-3.5 3.8=52, 4.8/3813=25...(48) HD2 LYS 20 + HB3 LYS 20 OK 65 68 95 100 2.4-3.6 3.4=72, 3039/3.0=29...(69) HD3 LYS 73 + HB3 LYS 73 OK 27 89 30 99 2.6-3.8 3.8=52, 5170/2.9=40...(44) HG3 LYS 123 + HB3 LYS 123 OK 22 22 100 100 2.6-3.0 2.9=100 HD3 LYS 73 - HB2 LYS 73 far 14 92 15 - 3.0-4.2 HD2 LYS 43 - HB2 LYS 43 far 9 90 10 - 2.8-4.1 HD3 LYS 43 - HB2 LYS 43 far 9 89 10 - 2.8-4.2 HD3 LYS 20 - HB3 LYS 20 far 3 70 5 - 2.4-3.8 HG3 ARG 95 - HB2 LYS 96 far 0 99 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 91 0 - 3.3-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 100 0 - 3.5-4.2 ! HD2 LYS 96 - HB2 LYS 96 far 0 100 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 70 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 68 0 - 3.6-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 90 0 - 4.2-7.2 HD3 LYS 40 - HB2 LYS 43 far 0 90 0 - 4.9-7.3 HD2 LYS 40 - HB3 LYS 43 far 0 97 0 - 5.2-8.8 HG3 LYS 39 - HB2 LYS 43 far 0 53 0 - 5.4-8.4 HD2 LYS 16 - HB2 LYS 20 far 0 71 0 - 5.8-10.0 HD3 LYS 40 - HB2 LYS 44 far 0 83 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 43 far 0 97 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 97 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 71 0 - 6.5-10.7 HD2 LYS 40 - HB2 LYS 44 far 0 83 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 83 0 - 6.6-8.8 HG3 LYS 39 - HB3 LYS 43 far 0 60 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 73 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 67 0 - 6.9-10.5 HB ILE 54 - HB3 LYS 44 far 0 97 0 - 7.2-9.2 HD2 LYS 43 - HB2 LYS 44 far 0 82 0 - 7.3-9.0 HD2 LYS 40 - HB3 LYS 44 far 0 97 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 82 0 - 7.6-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 67 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 74 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 70 0 - 8.5-9.2 HG3 LYS 39 - HB2 LYS 44 far 0 47 0 - 9.3-11.4 HD2 LYS 17 - HB3 LYS 20 far 0 74 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 92 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 96 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 93 0 - 9.8-13.9 HG12 ILE 71 - HB2 LYS 44 far 0 63 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6088 from cnoeabs.peaks (1.68, 1.90, 32.07 ppm; 2.60 A): 5 out of 49 assignments used, quality = 0.97: HD2 LYS 73 + HB3 LYS 73 OK 59 90 70 93 2.1-3.1 3.8=31, 5184/3.0=25...(33) HD2 LYS 44 + HB3 LYS 44 OK 58 61 100 97 2.1-2.6 3953=53, ~3954=17...(51) HD2 LYS 43 + HB3 LYS 43 OK 54 95 60 94 2.1-3.5 3.8=31, 4.8/3813=16...(48) HD3 LYS 43 + HB3 LYS 43 OK 49 97 55 93 2.1-3.6 3.8=31, 3817/3813=16...(48) HD2 LYS 20 + HB3 LYS 20 OK 27 71 40 95 2.4-3.6 3.4=43, 3039/3.0=21...(46) HD3 LYS 73 - HB3 LYS 73 far 5 90 5 - 2.6-3.8 HD3 LYS 20 - HB3 LYS 20 far 4 72 5 - 2.4-3.8 HG3 LYS 123 - HB3 LYS 123 far 3 26 10 - 2.6-3.0 HD3 LYS 43 - HB2 LYS 43 far 0 90 0 - 2.8-4.2 HD2 LYS 43 - HB2 LYS 43 far 0 88 0 - 2.8-4.1 HD3 LYS 73 - HB2 LYS 73 far 0 93 0 - 3.0-4.2 HG3 ARG 95 - HB2 LYS 96 far 0 97 0 - 3.3-8.2 HD2 LYS 73 - HB2 LYS 73 far 0 93 0 - 3.3-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 47 0 - 3.4-3.7 ! HD3 LYS 96 - HB2 LYS 96 far 0 100 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 100 0 - 3.6-3.8 HD3 LYS 20 - HB2 LYS 20 far 0 72 0 - 3.6-4.2 HD2 LYS 20 - HB2 LYS 20 far 0 71 0 - 3.6-4.2 HD2 LYS 40 - HB2 LYS 43 far 0 90 0 - 4.2-7.2 HD3 LYS 40 - HB2 LYS 43 far 0 90 0 - 4.9-7.3 HD2 LYS 44 - HB2 LYS 43 far 0 53 0 - 5.1-7.2 HD2 LYS 40 - HB3 LYS 43 far 0 97 0 - 5.2-8.8 HD2 LYS 44 - HB3 LYS 43 far 0 60 0 - 5.3-7.4 HG3 LYS 39 - HB2 LYS 43 far 0 60 0 - 5.4-8.4 HD2 LYS 16 - HB2 LYS 20 far 0 73 0 - 5.8-10.0 HD3 LYS 40 - HB2 LYS 44 far 0 82 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 43 far 0 96 0 - 6.1-8.7 HD3 LYS 40 - HB3 LYS 44 far 0 97 0 - 6.5-11.0 HD2 LYS 16 - HB3 LYS 20 far 0 73 0 - 6.5-10.7 HD2 LYS 40 - HB2 LYS 44 far 0 83 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 83 0 - 6.6-8.8 HG3 LYS 39 - HB3 LYS 43 far 0 67 0 - 6.7-9.7 HG12 ILE 71 - HB2 LYS 73 far 0 79 0 - 6.8-8.3 HD3 LYS 16 - HB2 LYS 20 far 0 70 0 - 6.9-10.5 HB ILE 54 - HB3 LYS 44 far 0 97 0 - 7.2-9.2 HD2 LYS 43 - HB2 LYS 44 far 0 81 0 - 7.3-9.0 HD2 LYS 40 - HB3 LYS 44 far 0 97 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 83 0 - 7.6-9.0 HD3 LYS 16 - HB3 LYS 20 far 0 70 0 - 7.8-11.3 HD2 LYS 17 - HB2 LYS 20 far 0 74 0 - 7.9-8.8 HD2 LYS 43 - HB3 LYS 44 far 0 96 0 - 8.2-9.7 HD3 LYS 43 - HB3 LYS 44 far 0 97 0 - 8.2-9.8 HG12 ILE 71 - HB3 LYS 73 far 0 76 0 - 8.5-9.2 HG3 LYS 39 - HB2 LYS 44 far 0 54 0 - 9.3-11.4 HD2 LYS 17 - HB3 LYS 20 far 0 74 0 - 9.4-10.3 HD3 LYS 43 - HB2 LYS 73 far 0 93 0 - 9.4-12.7 HD3 LYS 73 - HB3 LYS 43 far 0 97 0 - 9.4-15.5 HD2 LYS 43 - HB2 LYS 73 far 0 91 0 - 9.8-13.9 HG12 ILE 71 - HB2 LYS 44 far 0 68 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6089 from cnoeabs.peaks (2.93, 1.90, 32.07 ppm; 3.90 A increased from 3.67 A): 4 out of 16 assignments used, quality = 0.99: HE2 LYS 44 + HB3 LYS 44 OK 92 97 95 100 2.2-4.2 3.0/3953=80, 5.0=48...(40) HE3 LYS 44 + HB3 LYS 44 OK 63 97 65 100 2.0-4.6 3.0/3953=80, 5.0=48...(39) HE3 LYS 44 + HB2 LYS 44 OK 33 83 40 100 3.4-5.3 5.0=48, ~3953=47...(54) HE2 LYS 44 + HB2 LYS 44 OK 29 83 35 100 3.4-4.6 5.0=48, ~3953=47...(55) HE3 LYS 65 - HB2 LYS 96 far 8 81 10 - 3.7-9.6 HE3 LYS 96 - HB2 LYS 96 far 5 100 5 - 3.7-5.5 ! HE2 LYS 96 - HB2 LYS 96 far 5 100 5 - 3.8-5.5 HE2 LYS 65 - HB2 LYS 96 far 4 81 5 - 3.8-9.6 HE3 LYS 44 - HB2 LYS 43 far 0 90 0 - 4.0-9.2 HE3 LYS 44 - HB3 LYS 43 far 0 97 0 - 4.3-9.7 HE2 LYS 44 - HB3 LYS 43 far 0 97 0 - 4.7-9.0 HE2 LYS 44 - HB2 LYS 43 far 0 90 0 - 4.8-8.3 HD3 ARG 30 - HB2 LYS 44 far 0 82 0 - 4.9-9.0 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 5.6-9.6 HE3 LYS 94 - HB2 LYS 96 far 0 84 0 - 7.1-10.6 HD3 ARG 30 - HB2 LYS 43 far 0 89 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 6090 from cnoeabs.peaks (2.93, 1.90, 32.07 ppm; 3.90 A increased from 3.67 A): 4 out of 16 assignments used, quality = 0.99: HE2 LYS 44 + HB3 LYS 44 OK 92 97 95 100 2.2-4.2 3.0/3953=80, 5.0=48...(40) HE3 LYS 44 + HB3 LYS 44 OK 63 97 65 100 2.0-4.6 3.0/3953=80, 5.0=48...(39) HE3 LYS 44 + HB2 LYS 44 OK 33 83 40 100 3.4-5.3 5.0=48, ~3953=47...(54) HE2 LYS 44 + HB2 LYS 44 OK 29 83 35 100 3.4-4.6 5.0=48, ~3953=47...(55) HE3 LYS 65 - HB2 LYS 96 far 8 81 10 - 3.7-9.6 ! HE3 LYS 96 - HB2 LYS 96 far 5 100 5 - 3.7-5.5 HE2 LYS 96 - HB2 LYS 96 far 5 100 5 - 3.8-5.5 HE2 LYS 65 - HB2 LYS 96 far 4 81 5 - 3.8-9.6 HE3 LYS 44 - HB2 LYS 43 far 0 90 0 - 4.0-9.2 HE3 LYS 44 - HB3 LYS 43 far 0 97 0 - 4.3-9.7 HE2 LYS 44 - HB3 LYS 43 far 0 97 0 - 4.7-9.0 HE2 LYS 44 - HB2 LYS 43 far 0 90 0 - 4.8-8.3 HD3 ARG 30 - HB2 LYS 44 far 0 82 0 - 4.9-9.0 HD3 ARG 30 - HB3 LYS 44 far 0 97 0 - 5.6-9.6 HE3 LYS 94 - HB2 LYS 96 far 0 84 0 - 7.1-10.6 HD3 ARG 30 - HB2 LYS 43 far 0 89 0 - 9.0-13.2 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 1 assignment used, quality = 1.00: * H LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.1-3.0 606=89, 6081/1.8=59...(24) Violated in 0 structures by 0.00 A. Peak 6092 from cnoeabs.peaks (4.07, 1.97, 32.07 ppm; 3.15 A increased from 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLU 91 - HB3 LYS 96 far 0 96 0 - 7.0-8.4 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 - 4.6-7.0 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 2.6-3.0 2.9=100 HG LEU 80 - HB3 LYS 96 far 0 100 0 - 8.7-9.6 HB3 LYS 61 - HB3 LYS 96 far 0 96 0 - 8.7-11.1 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 3 assignments used, quality = 1.00: * HG3 LYS 96 + HB3 LYS 96 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 68 - HB3 LYS 96 far 0 65 0 - 9.2-10.8 HD3 LYS 106 - HB3 LYS 96 far 0 96 0 - 9.6-12.8 Violated in 1 structures by 0.00 A. Peak 6097 from cnoeabs.peaks (1.68, 1.97, 32.07 ppm; 2.71 A): 2 out of 3 assignments used, quality = 0.99: * HD2 LYS 96 + HB3 LYS 96 OK 97 100 100 97 2.5-2.8 3.4=48, 6077/3.0=34...(51) HD3 LYS 96 + HB3 LYS 96 OK 64 100 65 98 2.3-3.6 3.4=48, 1.8/6124=31...(54) HG3 ARG 95 - HB3 LYS 96 far 0 99 0 - 3.7-7.8 Violated in 0 structures by 0.00 A. Peak 6098 from cnoeabs.peaks (1.68, 1.97, 32.07 ppm; 2.71 A): 2 out of 3 assignments used, quality = 0.99: HD2 LYS 96 + HB3 LYS 96 OK 97 100 100 97 2.5-2.8 3.4=48, 6078/3.0=34...(51) * HD3 LYS 96 + HB3 LYS 96 OK 64 100 65 98 2.3-3.6 3.4=48, 1.8/6124=31...(54) HG3 ARG 95 - HB3 LYS 96 far 0 97 0 - 3.7-7.8 Violated in 0 structures by 0.00 A. Peak 6099 from cnoeabs.peaks (2.93, 1.97, 32.07 ppm; 4.70 A increased from 4.18 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 96 + HB3 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 3.0/6097=58...(38) HE3 LYS 96 + HB3 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 3.0/6097=58...(38) HE3 LYS 65 - HB3 LYS 96 far 0 81 0 - 4.9-8.9 HE2 LYS 65 - HB3 LYS 96 far 0 81 0 - 5.1-9.2 HE3 LYS 94 - HB3 LYS 96 far 0 84 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 6100 from cnoeabs.peaks (2.93, 1.97, 32.07 ppm; 4.70 A increased from 4.18 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 96 + HB3 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 3.0/6097=58...(38) * HE3 LYS 96 + HB3 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 3.0/6097=58...(38) HE3 LYS 65 - HB3 LYS 96 far 0 81 0 - 4.9-8.9 HE2 LYS 65 - HB3 LYS 96 far 0 81 0 - 5.1-9.2 HE3 LYS 94 - HB3 LYS 96 far 0 84 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 6101 from cnoeabs.peaks (7.79, 1.44, 24.91 ppm; 4.51 A increased from 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 96 + HG2 LYS 96 OK 100 100 100 100 3.9-4.4 6091/2.9=88, 1639=88...(22) H LYS 40 - HG3 LYS 44 far 0 96 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 6102 from cnoeabs.peaks (4.07, 1.44, 24.91 ppm; 3.65 A increased from 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.3-3.5 6075=98, 6073/2.9=73...(28) HA LYS 44 - HG3 LYS 44 far 0 99 0 - 3.7-4.2 HA GLU 37 - HG3 LYS 44 far 0 98 0 - 7.5-8.8 HA GLU 91 - HG2 LYS 96 far 0 96 0 - 9.3-10.0 Violated in 0 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 2.3-2.5 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 98 98 100 100 2.5-2.7 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 91 91 100 100 2.3-2.3 2.9=100 HG LEU 45 - HG3 LYS 44 far 0 61 0 - 4.2-5.8 HB2 LYS 43 - HG3 LYS 44 far 0 98 0 - 5.0-6.2 HB2 ARG 95 - HG2 LYS 96 far 0 99 0 - 5.4-8.0 HB3 LYS 43 - HG3 LYS 44 far 0 100 0 - 5.9-7.1 HB2 LYS 49 - HG3 LYS 44 far 0 100 0 - 5.9-14.2 HB2 LEU 45 - HG3 LYS 44 far 0 99 0 - 6.2-7.6 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 2.6-3.0 2.9=100 HB2 LYS 40 - HG3 LYS 44 far 0 61 0 - 6.0-7.7 HB3 ARG 95 - HG2 LYS 96 far 0 100 0 - 6.2-7.5 HB3 GLU 52 - HG3 LYS 44 far 0 61 0 - 8.1-12.4 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 2 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 Violated in 0 structures by 0.00 A. Peak 6107 from cnoeabs.peaks (1.68, 1.44, 24.91 ppm; 3.08 A increased from 2.59 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 40 - HG3 LYS 44 far 0 100 0 - 4.1-9.0 HG3 ARG 95 - HG2 LYS 96 far 0 99 0 - 4.4-9.0 HD2 LYS 40 - HG3 LYS 44 far 0 100 0 - 5.4-8.0 HB ILE 54 - HG3 LYS 44 far 0 100 0 - 6.7-10.0 HD3 LYS 43 - HG3 LYS 44 far 0 99 0 - 7.5-9.3 HD2 LYS 43 - HG3 LYS 44 far 0 100 0 - 7.5-9.2 HG3 LYS 39 - HG3 LYS 44 far 0 65 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 6108 from cnoeabs.peaks (1.68, 1.44, 24.91 ppm; 3.08 A increased from 2.59 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 96 + HG2 LYS 96 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 44 + HG3 LYS 44 OK 65 65 100 100 2.6-3.0 2.9=100 HD3 LYS 40 - HG3 LYS 44 far 0 100 0 - 4.1-9.0 HG3 ARG 95 - HG2 LYS 96 far 0 97 0 - 4.4-9.0 HD2 LYS 40 - HG3 LYS 44 far 0 100 0 - 5.4-8.0 HB ILE 54 - HG3 LYS 44 far 0 100 0 - 6.7-10.0 HD3 LYS 43 - HG3 LYS 44 far 0 100 0 - 7.5-9.3 HD2 LYS 43 - HG3 LYS 44 far 0 99 0 - 7.5-9.2 HG3 LYS 39 - HG3 LYS 44 far 0 73 0 - 8.5-11.5 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: HE2 LYS 44 + HG3 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=82, ~3954=38...(45) HE3 LYS 96 + HG2 LYS 96 OK 95 100 95 100 2.2-3.7 3.8=79, 6130/3.0=21...(31) HE3 LYS 44 + HG3 LYS 44 OK 90 100 90 100 2.4-3.6 3.7=82, ~3954=38...(45) * HE2 LYS 96 + HG2 LYS 96 OK 65 100 65 100 2.1-4.0 3.8=79, 6146/1.8=21...(31) HD3 ARG 30 - HG3 LYS 44 far 0 99 0 - 4.7-9.0 HE3 LYS 65 - HG2 LYS 96 far 0 81 0 - 4.9-9.1 HE2 LYS 65 - HG2 LYS 96 far 0 81 0 - 5.0-9.7 HE3 LYS 94 - HG2 LYS 96 far 0 84 0 - 9.4-11.6 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: HE2 LYS 44 + HG3 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=82, ~3954=38...(45) * HE3 LYS 96 + HG2 LYS 96 OK 95 100 95 100 2.2-3.7 3.8=79, 6130/3.0=21...(31) HE3 LYS 44 + HG3 LYS 44 OK 90 100 90 100 2.4-3.6 3.7=82, ~3954=38...(45) HE2 LYS 96 + HG2 LYS 96 OK 65 100 65 100 2.1-4.0 3.8=79, 6146/1.8=21...(31) HD3 ARG 30 - HG3 LYS 44 far 0 99 0 - 4.7-9.0 HE3 LYS 65 - HG2 LYS 96 far 0 81 0 - 4.9-9.1 HE2 LYS 65 - HG2 LYS 96 far 0 81 0 - 5.0-9.7 HE3 LYS 94 - HG2 LYS 96 far 0 84 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 6111 from cnoeabs.peaks (7.79, 1.57, 24.91 ppm; 4.29 A increased from 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 96 + HG3 LYS 96 OK 100 100 100 100 3.8-4.1 1640=100, 6091/2.9=83...(22) H LYS 40 - HG2 LYS 44 far 0 68 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. Peak 6112 from cnoeabs.peaks (4.07, 1.57, 24.91 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.6 4.0=81, 6102/1.8=75...(27) HA LYS 44 + HG2 LYS 44 OK 71 71 100 100 2.6-3.6 3904=81, 3903/2.9=71...(43) HA GLU 37 - HG2 LYS 44 far 0 69 0 - 7.7-9.5 HA GLU 91 - HG3 LYS 96 far 0 96 0 - 8.5-10.2 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 9 assignments used, quality = 1.00: * HB2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.4-2.7 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 70 70 100 100 3.0-3.0 2.9=97, 3953/2.9=50...(31) HB2 LYS 44 + HG2 LYS 44 OK 62 62 100 100 2.6-2.7 2.9=97, 3.7/3954=33...(47) HG LEU 45 - HG2 LYS 44 far 2 38 5 - 2.7-5.8 HB2 LYS 43 - HG2 LYS 44 far 0 69 0 - 3.3-5.7 HB3 LYS 43 - HG2 LYS 44 far 0 73 0 - 4.1-6.4 HB2 LEU 45 - HG2 LYS 44 far 0 72 0 - 4.5-7.2 HB2 ARG 95 - HG3 LYS 96 far 0 99 0 - 5.5-7.7 HB2 LYS 49 - HG2 LYS 44 far 0 73 0 - 5.7-13.9 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 2.3-3.0 2.9=100 HB2 LYS 40 - HG2 LYS 44 far 0 38 0 - 5.8-8.2 HB3 ARG 95 - HG3 LYS 96 far 0 100 0 - 6.3-7.1 HB3 GLU 52 - HG2 LYS 44 far 0 38 0 - 7.9-13.5 HB3 GLU 21 - HG2 LYS 115 far 0 86 0 - 8.6-11.1 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 10 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 HG3 LYS 49 - HG2 LYS 44 far 0 41 0 - 5.5-14.5 HG3 ARG 30 - HG2 LYS 44 far 0 57 0 - 5.8-10.8 HG2 LYS 49 - HG2 LYS 44 far 0 41 0 - 6.8-15.2 HG2 LYS 39 - HG2 LYS 44 far 0 44 0 - 7.2-11.4 HG12 ILE 56 - HG2 LYS 44 far 0 55 0 - 8.4-12.1 HB3 LEU 4 - HG2 LYS 44 far 0 72 0 - 9.2-13.1 HB3 LYS 61 - HG3 LYS 96 far 0 96 0 - 9.3-12.6 HG LEU 4 - HG2 LYS 44 far 0 60 0 - 9.4-13.5 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; 3.08 A increased from 2.47 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 40 - HG2 LYS 44 far 0 73 0 - 3.8-9.1 HG3 ARG 95 - HG3 LYS 96 far 0 99 0 - 4.6-8.7 HD2 LYS 40 - HG2 LYS 44 far 0 73 0 - 4.7-8.8 HD3 LYS 43 - HG2 LYS 44 far 0 72 0 - 5.8-8.2 HD2 LYS 43 - HG2 LYS 44 far 0 73 0 - 6.0-8.4 HB ILE 54 - HG2 LYS 44 far 0 73 0 - 6.4-10.9 HG3 LYS 39 - HG2 LYS 44 far 0 41 0 - 7.8-11.2 HD2 LYS 17 - HG2 LYS 115 far 0 87 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 6118 from cnoeabs.peaks (1.68, 1.57, 24.91 ppm; 3.08 A increased from 2.47 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 44 + HG2 LYS 44 OK 41 41 100 100 2.5-3.0 2.9=100 HD3 LYS 40 - HG2 LYS 44 far 0 73 0 - 3.8-9.1 HG3 ARG 95 - HG3 LYS 96 far 0 97 0 - 4.6-8.7 HD2 LYS 40 - HG2 LYS 44 far 0 73 0 - 4.7-8.8 HD3 LYS 43 - HG2 LYS 44 far 0 73 0 - 5.8-8.2 HD2 LYS 43 - HG2 LYS 44 far 0 71 0 - 6.0-8.4 HB ILE 54 - HG2 LYS 44 far 0 73 0 - 6.4-10.9 HG3 LYS 39 - HG2 LYS 44 far 0 46 0 - 7.8-11.2 HD2 LYS 17 - HG2 LYS 115 far 0 86 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 6119 from cnoeabs.peaks (2.93, 1.57, 24.91 ppm; 3.87 A increased from 3.44 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.8 3.8=100 HE3 LYS 96 + HG3 LYS 96 OK 90 100 90 100 2.1-4.2 3.8=100 HE2 LYS 44 + HG2 LYS 44 OK 73 73 100 100 2.1-3.7 3.7=100 HE3 LYS 44 + HG2 LYS 44 OK 59 73 80 100 2.2-4.2 3.7=100 HE3 LYS 65 - HG3 LYS 96 far 0 81 0 - 4.7-9.1 HE2 LYS 65 - HG3 LYS 96 far 0 81 0 - 5.1-9.8 HD3 ARG 30 - HG2 LYS 44 far 0 72 0 - 6.3-10.6 HE3 LYS 94 - HG3 LYS 96 far 0 84 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 6120 from cnoeabs.peaks (2.93, 1.57, 24.91 ppm; 3.87 A increased from 3.44 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 96 + HG3 LYS 96 OK 100 100 100 100 2.2-3.8 3.8=100 * HE3 LYS 96 + HG3 LYS 96 OK 90 100 90 100 2.1-4.2 3.8=100 HE2 LYS 44 + HG2 LYS 44 OK 73 73 100 100 2.1-3.7 3.7=100 HE3 LYS 44 + HG2 LYS 44 OK 59 73 80 100 2.2-4.2 3.7=100 HE3 LYS 65 - HG3 LYS 96 far 0 81 0 - 4.7-9.1 HE2 LYS 65 - HG3 LYS 96 far 0 81 0 - 5.1-9.8 HD3 ARG 30 - HG2 LYS 44 far 0 72 0 - 6.3-10.6 HE3 LYS 94 - HG3 LYS 96 far 0 84 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 6121 from cnoeabs.peaks (7.79, 1.68, 28.89 ppm; 5.04 A increased from 4.48 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.0-5.0 2.9/6077=93, 6091/3.4=90...(26) H LYS 96 + HD3 LYS 96 OK 65 100 65 100 3.1-5.4 6091/3.4=90, 6081/3.4=85...(28) H LYS 40 - HD2 LYS 43 far 5 91 5 - 5.1-7.9 H LYS 40 - HD3 LYS 43 far 0 90 0 - 6.0-7.9 H GLU 66 - HG12 ILE 71 far 0 28 0 - 8.6-8.9 H GLU 66 - HD3 LYS 96 far 0 69 0 - 8.8-14.5 H GLU 66 - HD2 LYS 96 far 0 70 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 6122 from cnoeabs.peaks (4.07, 1.68, 28.89 ppm; 3.38 A): 1 out of 13 assignments used, quality = 1.00: * HA LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.4-3.2 6077=100, 6073/3.4=54...(39) HA LYS 96 - HD3 LYS 96 far 15 100 15 - 2.2-4.3 HA GLU 69 - HD3 LYS 73 far 0 84 0 - 4.5-8.5 HA GLU 69 - HD2 LYS 73 far 0 82 0 - 5.1-8.7 HA LYS 44 - HD2 LYS 43 far 0 94 0 - 6.0-7.8 HA LYS 44 - HD3 LYS 43 far 0 94 0 - 6.0-7.9 HA GLU 69 - HG12 ILE 71 far 0 41 0 - 6.1-6.5 HA GLU 91 - HD2 LYS 96 far 0 96 0 - 6.6-10.9 HA GLU 91 - HD3 LYS 96 far 0 95 0 - 7.6-10.7 HA GLU 37 - HD2 LYS 43 far 0 92 0 - 8.1-10.8 HA GLU 37 - HD3 LYS 43 far 0 91 0 - 8.9-11.0 HA GLU 69 - HD2 LYS 96 far 0 92 0 - 9.1-14.5 HA GLU 69 - HD3 LYS 96 far 0 91 0 - 9.4-15.2 Violated in 0 structures by 0.00 A. Peak 6123 from cnoeabs.peaks (1.90, 1.68, 28.89 ppm; 2.72 A): 6 out of 42 assignments used, quality = 0.98: HB3 LYS 43 + HD2 LYS 43 OK 65 96 70 96 2.1-3.5 3.8=35, 3826/1.8=21...(48) HB3 LYS 73 + HD2 LYS 73 OK 59 88 70 95 2.1-3.1 3.8=35, 3.0/5184=25...(34) HB3 LYS 43 + HD3 LYS 43 OK 54 95 60 95 2.1-3.6 3.8=35, 3824/2.9=19...(48) HB ILE 71 + HG12 ILE 71 OK 42 47 100 89 2.6-2.7 3.0=73, ~5107=23...(6) HB3 LYS 20 + HD2 LYS 20 OK 28 73 40 97 2.4-3.6 3.4=49, 3.0/3039=22...(52) HB3 LYS 73 + HD3 LYS 73 OK 22 90 25 97 2.6-3.8 3.8=35, 2.9/5170=32...(36) HB2 LYS 43 - HD3 LYS 43 far 5 91 5 - 2.8-4.2 HB3 LYS 20 - HD3 LYS 20 far 4 76 5 - 2.4-3.8 HB2 LYS 43 - HD2 LYS 43 far 0 92 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 99 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 91 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 90 0 - 3.3-3.7 HB2 LYS 96 - HD3 LYS 96 far 0 100 0 - 3.5-4.2 ! HB2 LYS 96 - HD2 LYS 96 far 0 100 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 76 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 73 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 99 0 - 3.9-9.2 HG LEU 45 - HG12 ILE 71 far 0 24 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 94 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 49 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 46 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 54 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 93 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 94 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 95 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 85 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 91 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 55 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 84 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 94 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 93 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 67 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 93 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 45 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 54 0 - 8.6-13.7 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 91 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 95 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 95 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 96 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 92 0 - 9.8-13.9 HB2 LYS 44 - HG12 ILE 71 far 0 41 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6124 from cnoeabs.peaks (1.97, 1.68, 28.89 ppm; 3.11 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.5-2.8 3.4=73, 3.0/6077=45...(51) HB3 LYS 96 + HD3 LYS 96 OK 70 100 70 100 2.3-3.6 3.4=73, 6097/1.8=48...(54) HB3 ARG 95 - HD2 LYS 96 far 0 100 0 - 4.1-7.8 HB3 GLU 21 - HD2 LYS 20 far 0 87 0 - 4.6-7.7 HB3 ARG 95 - HD3 LYS 96 far 0 100 0 - 4.8-8.7 HB3 GLU 21 - HD3 LYS 20 far 0 90 0 - 5.2-8.1 HB2 LYS 40 - HD2 LYS 43 far 0 55 0 - 6.0-8.8 HB2 LYS 40 - HD3 LYS 43 far 0 54 0 - 6.5-9.0 HB VAL 29 - HD2 LYS 20 far 0 51 0 - 7.1-11.9 HB VAL 29 - HD3 LYS 20 far 0 53 0 - 7.3-10.7 HB VAL 22 - HD2 LYS 20 far 0 67 0 - 8.2-9.4 HB VAL 22 - HD3 LYS 20 far 0 70 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 6125 from cnoeabs.peaks (1.44, 1.68, 28.89 ppm; 3.03 A increased from 2.55 A): 2 out of 20 assignments used, quality = 1.00: * HG2 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 39 - HD2 LYS 43 far 0 63 0 - 3.5-9.1 HG2 LYS 39 - HD3 LYS 43 far 0 62 0 - 4.4-9.1 HB2 LEU 4 - HG12 ILE 71 far 0 49 0 - 5.5-5.9 HB3 LEU 4 - HG12 ILE 71 far 0 49 0 - 6.2-6.9 HG LEU 4 - HG12 ILE 71 far 0 39 0 - 6.3-6.8 HG3 LYS 17 - HD3 LYS 20 far 0 76 0 - 6.4-7.9 HG3 LYS 17 - HD2 LYS 20 far 0 73 0 - 6.9-8.3 HG12 ILE 56 - HG12 ILE 71 far 0 36 0 - 7.0-7.7 HG3 LYS 44 - HD3 LYS 43 far 0 95 0 - 7.5-9.3 HG3 LYS 44 - HD2 LYS 43 far 0 96 0 - 7.5-9.2 HB3 LEU 6 - HG12 ILE 71 far 0 26 0 - 7.6-8.2 HB3 LYS 61 - HD3 LYS 96 far 0 95 0 - 8.7-14.2 HG3 LYS 49 - HD3 LYS 43 far 0 58 0 - 8.8-16.5 HG3 LYS 49 - HD2 LYS 43 far 0 59 0 - 9.4-17.0 HG2 LYS 39 - HG12 ILE 71 far 0 28 0 - 9.5-12.3 HB3 LEU 63 - HG12 ILE 71 far 0 34 0 - 9.6-10.5 HG LEU 80 - HD3 LYS 96 far 0 100 0 - 9.7-12.8 HG2 LYS 49 - HD3 LYS 43 far 0 58 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 6126 from cnoeabs.peaks (1.57, 1.68, 28.89 ppm; 3.04 A increased from 2.43 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 70 - HG12 ILE 71 far 0 50 0 - 4.0-4.4 HB3 LEU 70 - HD3 LYS 73 far 0 95 0 - 4.7-6.9 HB VAL 78 - HG12 ILE 71 far 0 36 0 - 5.0-5.8 HG2 LYS 44 - HD3 LYS 43 far 0 79 0 - 5.8-8.2 HG LEU 68 - HG12 ILE 71 far 0 26 0 - 6.0-6.7 HG2 LYS 44 - HD2 LYS 43 far 0 80 0 - 6.0-8.4 HB3 LEU 70 - HD2 LYS 73 far 0 94 0 - 6.0-7.6 HB3 LEU 70 - HD3 LYS 43 far 0 95 0 - 7.3-10.2 HB3 LEU 70 - HD2 LYS 43 far 0 96 0 - 7.6-10.1 HG LEU 68 - HD3 LYS 96 far 0 65 0 - 8.7-14.1 HG LEU 68 - HD2 LYS 96 far 0 65 0 - 9.1-13.2 HD3 LYS 106 - HD2 LYS 96 far 0 96 0 - 9.5-15.2 Violated in 0 structures by 0.00 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 14 assignments used, quality = 0.99: HE3 LYS 96 + HD2 LYS 96 OK 77 100 80 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) * HE2 LYS 96 + HD2 LYS 96 OK 72 100 75 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE2 LYS 96 + HD3 LYS 96 OK 62 100 65 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 96 + HD3 LYS 96 OK 43 100 45 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 65 - HD3 LYS 96 far 0 80 0 - 3.0-11.3 HE3 LYS 65 - HD2 LYS 96 far 0 81 0 - 3.8-11.1 HE2 LYS 65 - HD3 LYS 96 far 0 80 0 - 3.8-11.8 HE2 LYS 65 - HD2 LYS 96 far 0 81 0 - 5.2-11.4 HE2 LYS 44 - HD2 LYS 43 far 0 96 0 - 6.0-11.2 HE3 LYS 44 - HD2 LYS 43 far 0 96 0 - 6.2-11.8 HE2 LYS 44 - HD3 LYS 43 far 0 95 0 - 6.4-11.3 HE3 LYS 44 - HD3 LYS 43 far 0 95 0 - 7.4-11.9 HE3 LYS 94 - HD2 LYS 96 far 0 84 0 - 7.7-11.6 HE3 LYS 94 - HD3 LYS 96 far 0 83 0 - 8.6-11.7 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 14 assignments used, quality = 0.99: * HE3 LYS 96 + HD2 LYS 96 OK 77 100 80 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE2 LYS 96 + HD2 LYS 96 OK 72 100 75 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE2 LYS 96 + HD3 LYS 96 OK 62 100 65 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 96 + HD3 LYS 96 OK 43 100 45 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 65 - HD3 LYS 96 far 0 80 0 - 3.0-11.3 HE3 LYS 65 - HD2 LYS 96 far 0 81 0 - 3.8-11.1 HE2 LYS 65 - HD3 LYS 96 far 0 80 0 - 3.8-11.8 HE2 LYS 65 - HD2 LYS 96 far 0 81 0 - 5.2-11.4 HE2 LYS 44 - HD2 LYS 43 far 0 96 0 - 6.0-11.2 HE3 LYS 44 - HD2 LYS 43 far 0 96 0 - 6.2-11.8 HE2 LYS 44 - HD3 LYS 43 far 0 95 0 - 6.4-11.3 HE3 LYS 44 - HD3 LYS 43 far 0 95 0 - 7.4-11.9 HE3 LYS 94 - HD2 LYS 96 far 0 84 0 - 7.7-11.6 HE3 LYS 94 - HD3 LYS 96 far 0 83 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 6131 from cnoeabs.peaks (7.79, 1.68, 28.89 ppm; 5.04 A increased from 4.48 A): 2 out of 7 assignments used, quality = 1.00: H LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.0-5.0 2.9/6078=93, 6091/3.4=90...(26) * H LYS 96 + HD3 LYS 96 OK 65 100 65 100 3.1-5.4 6091/3.4=90, 6081/3.4=85...(28) H LYS 40 - HD2 LYS 43 far 4 88 5 - 5.1-7.9 H LYS 40 - HD3 LYS 43 far 0 91 0 - 6.0-7.9 H GLU 66 - HG12 ILE 71 far 0 33 0 - 8.6-8.9 H GLU 66 - HD3 LYS 96 far 0 70 0 - 8.8-14.5 H GLU 66 - HD2 LYS 96 far 0 69 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 6132 from cnoeabs.peaks (4.07, 1.68, 28.89 ppm; 3.38 A): 1 out of 13 assignments used, quality = 1.00: HA LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.4-3.2 6078=100, 6073/3.4=54...(39) ! HA LYS 96 - HD3 LYS 96 far 15 100 15 - 2.2-4.3 HA GLU 69 - HD3 LYS 73 far 0 86 0 - 4.5-8.5 HA GLU 69 - HD2 LYS 73 far 0 85 0 - 5.1-8.7 HA LYS 44 - HD2 LYS 43 far 0 92 0 - 6.0-7.8 HA LYS 44 - HD3 LYS 43 far 0 95 0 - 6.0-7.9 HA GLU 69 - HG12 ILE 71 far 0 48 0 - 6.1-6.5 HA GLU 91 - HD2 LYS 96 far 0 95 0 - 6.6-10.9 HA GLU 91 - HD3 LYS 96 far 0 96 0 - 7.6-10.7 HA GLU 37 - HD2 LYS 43 far 0 90 0 - 8.1-10.8 HA GLU 37 - HD3 LYS 43 far 0 93 0 - 8.9-11.0 HA GLU 69 - HD2 LYS 96 far 0 91 0 - 9.1-14.5 HA GLU 69 - HD3 LYS 96 far 0 92 0 - 9.4-15.2 Violated in 0 structures by 0.00 A. Peak 6133 from cnoeabs.peaks (1.90, 1.68, 28.89 ppm; 2.72 A): 6 out of 42 assignments used, quality = 0.98: HB3 LYS 43 + HD2 LYS 43 OK 63 94 70 96 2.1-3.5 3.8=35, 3826/1.8=21...(48) HB3 LYS 73 + HD2 LYS 73 OK 61 91 70 95 2.1-3.1 3.8=35, 3.0/5184=26...(34) HB3 LYS 43 + HD3 LYS 43 OK 55 97 60 95 2.1-3.6 3.8=35, 3824/2.9=19...(48) HB ILE 71 + HG12 ILE 71 OK 50 56 100 89 2.6-2.7 3.0=73, ~5107=23...(6) HB3 LYS 20 + HD2 LYS 20 OK 30 78 40 97 2.4-3.6 3.4=49, 3.0/3039=23...(52) HB3 LYS 73 + HD3 LYS 73 OK 22 91 25 97 2.6-3.8 3.8=35, 2.9/5170=32...(36) HB2 LYS 43 - HD3 LYS 43 far 5 93 5 - 2.8-4.2 HB3 LYS 20 - HD3 LYS 20 far 4 80 5 - 2.4-3.8 HB2 LYS 43 - HD2 LYS 43 far 0 90 0 - 2.8-4.1 HB2 ARG 95 - HD2 LYS 96 far 0 99 0 - 2.9-8.6 HB2 LYS 73 - HD3 LYS 73 far 0 93 0 - 3.0-4.2 HB2 LYS 73 - HD2 LYS 73 far 0 92 0 - 3.3-3.7 ! HB2 LYS 96 - HD3 LYS 96 far 0 100 0 - 3.5-4.2 HB2 LYS 96 - HD2 LYS 96 far 0 100 0 - 3.6-3.8 HB2 LYS 20 - HD3 LYS 20 far 0 80 0 - 3.6-4.2 HB2 LYS 20 - HD2 LYS 20 far 0 78 0 - 3.6-4.2 HB2 ARG 95 - HD3 LYS 96 far 0 99 0 - 3.9-9.2 HG LEU 45 - HG12 ILE 71 far 0 29 0 - 6.5-7.8 HB2 LEU 45 - HD3 LYS 43 far 0 96 0 - 6.8-9.2 HB2 LEU 45 - HG12 ILE 71 far 0 57 0 - 6.8-7.6 HB2 LYS 73 - HG12 ILE 71 far 0 54 0 - 6.8-8.3 HG LEU 45 - HD3 LYS 43 far 0 56 0 - 7.0-8.8 HB ILE 71 - HD3 LYS 73 far 0 94 0 - 7.0-9.4 HB2 LEU 45 - HD3 LYS 73 far 0 96 0 - 7.0-12.8 HB2 LEU 45 - HD2 LYS 43 far 0 93 0 - 7.3-9.7 HB2 LYS 44 - HD2 LYS 43 far 0 82 0 - 7.3-9.0 HB ILE 71 - HD2 LYS 73 far 0 94 0 - 7.4-9.8 HG LEU 45 - HD2 LYS 43 far 0 53 0 - 7.4-9.3 HB2 LYS 44 - HD3 LYS 43 far 0 86 0 - 7.6-9.0 HB3 LYS 44 - HD2 LYS 43 far 0 91 0 - 8.2-9.7 HB3 LYS 44 - HD3 LYS 43 far 0 94 0 - 8.2-9.8 HB ILE 15 - HD3 LYS 20 far 0 71 0 - 8.3-12.3 HB2 LEU 45 - HD2 LYS 73 far 0 95 0 - 8.3-12.6 HB3 LYS 73 - HG12 ILE 71 far 0 53 0 - 8.5-9.2 HG LEU 45 - HD3 LYS 73 far 0 56 0 - 8.6-13.7 HB ILE 15 - HD2 LYS 20 far 0 69 0 - 8.9-12.2 HB2 LYS 73 - HD3 LYS 43 far 0 93 0 - 9.4-12.7 HB3 LYS 43 - HD3 LYS 73 far 0 97 0 - 9.4-15.5 HB2 LYS 49 - HD3 LYS 43 far 0 96 0 - 9.6-16.0 HB2 LYS 49 - HD2 LYS 43 far 0 93 0 - 9.7-17.1 HB2 LYS 73 - HD2 LYS 43 far 0 90 0 - 9.8-13.9 HB2 LYS 44 - HG12 ILE 71 far 0 48 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6134 from cnoeabs.peaks (1.97, 1.68, 28.89 ppm; 3.11 A): 2 out of 12 assignments used, quality = 1.00: HB3 LYS 96 + HD2 LYS 96 OK 99 100 100 100 2.5-2.8 3.4=73, 3.0/6078=45...(51) * HB3 LYS 96 + HD3 LYS 96 OK 70 100 70 100 2.3-3.6 3.4=73, 6097/1.8=48...(54) HB3 ARG 95 - HD2 LYS 96 far 0 100 0 - 4.1-7.8 HB3 GLU 21 - HD2 LYS 20 far 0 92 0 - 4.6-7.7 HB3 ARG 95 - HD3 LYS 96 far 0 100 0 - 4.8-8.7 HB3 GLU 21 - HD3 LYS 20 far 0 93 0 - 5.2-8.1 HB2 LYS 40 - HD2 LYS 43 far 0 53 0 - 6.0-8.8 HB2 LYS 40 - HD3 LYS 43 far 0 56 0 - 6.5-9.0 HB VAL 29 - HD2 LYS 20 far 0 55 0 - 7.1-11.9 HB VAL 29 - HD3 LYS 20 far 0 57 0 - 7.3-10.7 HB VAL 22 - HD2 LYS 20 far 0 72 0 - 8.2-9.4 HB VAL 22 - HD3 LYS 20 far 0 74 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 6135 from cnoeabs.peaks (1.44, 1.68, 28.89 ppm; 3.03 A increased from 2.55 A): 2 out of 20 assignments used, quality = 1.00: * HG2 LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 39 - HD2 LYS 43 far 0 60 0 - 3.5-9.1 HG2 LYS 39 - HD3 LYS 43 far 0 63 0 - 4.4-9.1 HB2 LEU 4 - HG12 ILE 71 far 0 57 0 - 5.5-5.9 HB3 LEU 4 - HG12 ILE 71 far 0 57 0 - 6.2-6.9 HG LEU 4 - HG12 ILE 71 far 0 46 0 - 6.3-6.8 HG3 LYS 17 - HD3 LYS 20 far 0 80 0 - 6.4-7.9 HG3 LYS 17 - HD2 LYS 20 far 0 78 0 - 6.9-8.3 HG12 ILE 56 - HG12 ILE 71 far 0 42 0 - 7.0-7.7 HG3 LYS 44 - HD3 LYS 43 far 0 96 0 - 7.5-9.3 HG3 LYS 44 - HD2 LYS 43 far 0 93 0 - 7.5-9.2 HB3 LEU 6 - HG12 ILE 71 far 0 31 0 - 7.6-8.2 HB3 LYS 61 - HD3 LYS 96 far 0 96 0 - 8.7-14.2 HG3 LYS 49 - HD3 LYS 43 far 0 59 0 - 8.8-16.5 HG3 LYS 49 - HD2 LYS 43 far 0 57 0 - 9.4-17.0 HG2 LYS 39 - HG12 ILE 71 far 0 33 0 - 9.5-12.3 HB3 LEU 63 - HG12 ILE 71 far 0 40 0 - 9.6-10.5 HG LEU 80 - HD3 LYS 96 far 0 100 0 - 9.7-12.8 HG2 LYS 49 - HD3 LYS 43 far 0 59 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 6136 from cnoeabs.peaks (1.57, 1.68, 28.89 ppm; 3.04 A increased from 2.43 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 96 + HD3 LYS 96 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 96 + HD2 LYS 96 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 70 - HG12 ILE 71 far 0 58 0 - 4.0-4.4 HB3 LEU 70 - HD3 LYS 73 far 0 97 0 - 4.7-6.9 HB VAL 78 - HG12 ILE 71 far 0 42 0 - 5.0-5.8 HG2 LYS 44 - HD3 LYS 43 far 0 80 0 - 5.8-8.2 HG LEU 68 - HG12 ILE 71 far 0 31 0 - 6.0-6.7 HG2 LYS 44 - HD2 LYS 43 far 0 77 0 - 6.0-8.4 HB3 LEU 70 - HD2 LYS 73 far 0 96 0 - 6.0-7.6 HB3 LEU 70 - HD3 LYS 43 far 0 97 0 - 7.3-10.2 HB3 LEU 70 - HD2 LYS 43 far 0 94 0 - 7.6-10.1 HG LEU 68 - HD3 LYS 96 far 0 65 0 - 8.7-14.1 HG LEU 68 - HD2 LYS 96 far 0 65 0 - 9.1-13.2 HD3 LYS 106 - HD2 LYS 96 far 0 95 0 - 9.5-15.2 Violated in 0 structures by 0.00 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 14 assignments used, quality = 0.99: HE3 LYS 96 + HD2 LYS 96 OK 77 100 80 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE2 LYS 96 + HD2 LYS 96 OK 72 100 75 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) * HE2 LYS 96 + HD3 LYS 96 OK 62 100 65 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 96 + HD3 LYS 96 OK 43 100 45 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 65 - HD3 LYS 96 far 0 81 0 - 3.0-11.3 HE3 LYS 65 - HD2 LYS 96 far 0 80 0 - 3.8-11.1 HE2 LYS 65 - HD3 LYS 96 far 0 81 0 - 3.8-11.8 HE2 LYS 65 - HD2 LYS 96 far 0 80 0 - 5.2-11.4 HE2 LYS 44 - HD2 LYS 43 far 0 94 0 - 6.0-11.2 HE3 LYS 44 - HD2 LYS 43 far 0 94 0 - 6.2-11.8 HE2 LYS 44 - HD3 LYS 43 far 0 97 0 - 6.4-11.3 HE3 LYS 44 - HD3 LYS 43 far 0 97 0 - 7.4-11.9 HE3 LYS 94 - HD2 LYS 96 far 0 83 0 - 7.7-11.6 HE3 LYS 94 - HD3 LYS 96 far 0 84 0 - 8.6-11.7 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 14 assignments used, quality = 0.99: HE3 LYS 96 + HD2 LYS 96 OK 77 100 80 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE2 LYS 96 + HD2 LYS 96 OK 72 100 75 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE2 LYS 96 + HD3 LYS 96 OK 62 100 65 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) * HE3 LYS 96 + HD3 LYS 96 OK 43 100 45 96 2.3-3.0 3.0=73, 1.8/6147=14...(33) HE3 LYS 65 - HD3 LYS 96 far 0 81 0 - 3.0-11.3 HE3 LYS 65 - HD2 LYS 96 far 0 80 0 - 3.8-11.1 HE2 LYS 65 - HD3 LYS 96 far 0 81 0 - 3.8-11.8 HE2 LYS 65 - HD2 LYS 96 far 0 80 0 - 5.2-11.4 HE2 LYS 44 - HD2 LYS 43 far 0 94 0 - 6.0-11.2 HE3 LYS 44 - HD2 LYS 43 far 0 94 0 - 6.2-11.8 HE2 LYS 44 - HD3 LYS 43 far 0 97 0 - 6.4-11.3 HE3 LYS 44 - HD3 LYS 43 far 0 97 0 - 7.4-11.9 HE3 LYS 94 - HD2 LYS 96 far 0 83 0 - 7.7-11.6 HE3 LYS 94 - HD3 LYS 96 far 0 84 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 6143 from cnoeabs.peaks (1.90, 2.93, 41.78 ppm; 3.84 A increased from 3.41 A): 4 out of 24 assignments used, quality = 0.99: HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.2-4.2 3953/3.0=78, 5.0=46...(40) HB3 LYS 44 + HE3 LYS 44 OK 64 99 65 100 2.0-4.6 3953/3.0=78, 5.0=46...(39) HB2 LYS 44 + HE3 LYS 44 OK 37 92 40 100 3.4-5.3 5.0=46, ~3953=46...(54) HB2 LYS 44 + HE2 LYS 44 OK 32 92 35 100 3.4-4.6 5.0=46, ~3953=46...(55) HB2 LYS 96 - HE3 LYS 65 far 6 63 10 - 3.7-9.6 HB2 LYS 96 - HE3 LYS 96 far 5 100 5 - 3.7-5.5 ! HB2 LYS 96 - HE2 LYS 96 far 5 100 5 - 3.8-5.5 HB2 ARG 95 - HE3 LYS 96 far 5 99 5 - 3.3-10.8 HB2 LYS 96 - HE2 LYS 65 far 3 63 5 - 3.8-9.6 HB2 LYS 43 - HE3 LYS 44 far 0 98 0 - 4.0-9.2 HB2 LYS 49 - HE3 LYS 44 far 0 100 0 - 4.1-14.8 HB2 ARG 95 - HE2 LYS 96 far 0 99 0 - 4.1-10.7 HB2 ARG 95 - HE3 LYS 94 far 0 66 0 - 4.1-7.1 HB3 LYS 43 - HE3 LYS 44 far 0 100 0 - 4.3-9.7 HB3 LYS 43 - HE2 LYS 44 far 0 100 0 - 4.7-9.0 HB2 LYS 43 - HE2 LYS 44 far 0 98 0 - 4.8-8.3 HB2 LYS 49 - HE2 LYS 44 far 0 100 0 - 5.8-14.5 HG LEU 45 - HE2 LYS 44 far 0 61 0 - 5.9-8.3 HG LEU 45 - HE3 LYS 44 far 0 61 0 - 6.5-9.0 HB2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.1-10.6 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.6-9.9 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.7-10.4 HB2 ARG 95 - HE3 LYS 65 far 0 61 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 61 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 6144 from cnoeabs.peaks (1.97, 2.93, 41.78 ppm; 4.70 A increased from 4.18 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LYS 96 + HE2 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 6097/3.0=58...(38) HB3 LYS 96 + HE3 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 6097/3.0=58...(38) HB3 ARG 95 - HE3 LYS 96 far 10 100 10 - 3.8-9.9 HB3 ARG 95 - HE3 LYS 94 far 3 68 5 - 4.5-7.2 HB3 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.9-8.9 HB3 ARG 95 - HE2 LYS 96 far 0 100 0 - 5.1-10.0 HB3 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.1-9.2 HB3 GLU 52 - HE3 LYS 44 far 0 61 0 - 5.5-14.1 HB2 LYS 40 - HE3 LYS 44 far 0 61 0 - 5.7-11.0 HB2 LYS 40 - HE2 LYS 44 far 0 61 0 - 6.5-9.4 HB3 GLU 52 - HE2 LYS 44 far 0 61 0 - 6.8-13.8 HB3 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.7-9.3 HB3 GLU 103 - HE3 LYS 94 far 0 43 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 6145 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 4 out of 24 assignments used, quality = 1.00: HG3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=61, ~3954=29...(45) HG2 LYS 96 + HE3 LYS 96 OK 69 100 70 98 2.2-3.7 3.8=59, 3.0/6129=18...(31) HG3 LYS 44 + HE3 LYS 44 OK 65 100 65 100 2.4-3.6 3.7=61, ~3954=29...(45) * HG2 LYS 96 + HE2 LYS 96 OK 59 100 60 98 2.1-4.0 3.8=59, 1.8/6146=17...(31) HG3 ARG 30 - HE2 LYS 44 far 0 87 0 - 4.3-12.3 HG3 LYS 49 - HE3 LYS 44 far 0 65 0 - 4.5-15.3 HG2 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.9-9.1 HB3 LYS 61 - HE2 LYS 65 far 0 56 0 - 5.0-9.8 HG2 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.0-9.7 HG2 LYS 49 - HE3 LYS 44 far 0 65 0 - 5.4-15.1 HG3 ARG 30 - HE3 LYS 44 far 0 87 0 - 5.7-12.2 HG3 LYS 49 - HE2 LYS 44 far 0 65 0 - 5.9-15.0 HB3 LYS 61 - HE3 LYS 65 far 0 56 0 - 6.1-9.7 HG2 LYS 49 - HE2 LYS 44 far 0 65 0 - 6.8-14.8 HG LEU 80 - HE3 LYS 94 far 0 68 0 - 8.0-9.5 HB3 LEU 63 - HE2 LYS 65 far 0 44 0 - 8.4-12.0 HG2 LYS 39 - HE3 LYS 44 far 0 70 0 - 8.5-15.3 HG12 ILE 56 - HE2 LYS 44 far 0 84 0 - 8.6-13.6 HB3 LEU 63 - HE3 LYS 65 far 0 44 0 - 9.0-12.3 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.4-11.6 HG LEU 80 - HE3 LYS 65 far 0 63 0 - 9.5-13.0 HG12 ILE 56 - HE3 LYS 44 far 0 84 0 - 9.5-14.3 HB3 LEU 4 - HE2 LYS 44 far 0 100 0 - 9.8-14.9 HG LEU 80 - HE2 LYS 65 far 0 63 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 6146 from cnoeabs.peaks (1.57, 2.93, 41.78 ppm; 3.72 A increased from 2.98 A): 4 out of 13 assignments used, quality = 1.00: * HG3 LYS 96 + HE2 LYS 96 OK 95 100 95 100 2.2-3.8 3.8=95, 3.0/6129=21...(33) HG2 LYS 44 + HE2 LYS 44 OK 87 87 100 100 2.1-3.7 3.7=99, 3954/3.0=59...(44) HG3 LYS 96 + HE3 LYS 96 OK 75 100 75 100 2.1-4.2 3.8=95, 3.0/6129=23...(33) HG2 LYS 44 + HE3 LYS 44 OK 43 87 50 100 2.2-4.2 3.7=99, 3954/3.0=59...(44) HD3 LYS 106 - HE3 LYS 94 lone 2 61 75 5 2.2-4.7 11540/6079=4 HD2 LYS 106 - HE3 LYS 94 lone 1 59 35 5 2.1-5.7 11540/6079=4 HG3 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.7-9.1 HG3 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.1-9.8 HG LEU 68 - HE3 LYS 65 far 0 34 0 - 6.2-9.3 HG LEU 68 - HE2 LYS 65 far 0 34 0 - 6.6-9.5 HG3 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.2-11.4 HG LEU 68 - HE2 LYS 96 far 0 65 0 - 9.6-14.7 HG LEU 68 - HE3 LYS 96 far 0 65 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 6147 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.97 A increased from 2.50 A): 4 out of 25 assignments used, quality = 1.00: HD2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=21...(34) * HD2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=23...(34) HD3 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=23...(33) HD3 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=21...(33) HG3 ARG 95 - HE3 LYS 96 far 5 99 5 - 2.0-11.5 HG3 ARG 95 - HE3 LYS 94 far 3 65 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 3 62 5 - 3.0-11.3 HG3 ARG 95 - HE2 LYS 96 far 0 99 0 - 3.1-11.6 HD2 LYS 96 - HE3 LYS 65 far 0 63 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 62 0 - 3.8-11.8 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-11.2 HD2 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-10.8 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.0-10.1 HD2 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.2-11.4 HD2 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.4-9.4 HD2 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.0-11.2 HD2 LYS 43 - HE3 LYS 44 far 0 100 0 - 6.2-11.8 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 6.3-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.4-11.3 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.5-12.7 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 7.4-11.9 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.7-11.6 HG3 LYS 39 - HE3 LYS 44 far 0 65 0 - 8.4-14.9 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 60 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 6148 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.97 A increased from 2.50 A): 6 out of 27 assignments used, quality = 1.00: HD3 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=23...(33) * HD3 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=21...(33) HD2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=21...(34) HD2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=23...(34) HD2 LYS 44 + HE3 LYS 44 OK 65 65 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE2 LYS 44 OK 65 65 100 100 2.3-3.0 3.0=100 HG3 ARG 95 - HE3 LYS 96 far 5 97 5 - 2.0-11.5 HG3 ARG 95 - HE3 LYS 94 far 3 63 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 3 63 5 - 3.0-11.3 HG3 ARG 95 - HE2 LYS 96 far 0 97 0 - 3.1-11.6 HD2 LYS 96 - HE3 LYS 65 far 0 62 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 63 0 - 3.8-11.8 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-11.2 HD2 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-10.8 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.0-10.1 HD2 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.2-11.4 HD2 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.4-9.4 HD2 LYS 43 - HE2 LYS 44 far 0 99 0 - 6.0-11.2 HD2 LYS 43 - HE3 LYS 44 far 0 99 0 - 6.2-11.8 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 6.3-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.4-11.3 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.5-12.7 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 7.4-11.9 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.7-11.6 HG3 LYS 39 - HE3 LYS 44 far 0 73 0 - 8.4-14.9 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 58 0 - 10.0-15.8 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; 3.84 A increased from 3.41 A): 4 out of 24 assignments used, quality = 0.99: HB3 LYS 44 + HE2 LYS 44 OK 94 99 95 100 2.2-4.2 3953/3.0=78, 5.0=46...(40) HB3 LYS 44 + HE3 LYS 44 OK 64 99 65 100 2.0-4.6 3953/3.0=78, 5.0=46...(39) HB2 LYS 44 + HE3 LYS 44 OK 37 92 40 100 3.4-5.3 5.0=46, ~3953=46...(54) HB2 LYS 44 + HE2 LYS 44 OK 32 92 35 100 3.4-4.6 5.0=46, ~3953=46...(55) HB2 LYS 96 - HE3 LYS 65 far 6 63 10 - 3.7-9.6 ! HB2 LYS 96 - HE3 LYS 96 far 5 100 5 - 3.7-5.5 HB2 LYS 96 - HE2 LYS 96 far 5 100 5 - 3.8-5.5 HB2 ARG 95 - HE3 LYS 96 far 5 99 5 - 3.3-10.8 HB2 LYS 96 - HE2 LYS 65 far 3 63 5 - 3.8-9.6 HB2 LYS 43 - HE3 LYS 44 far 0 98 0 - 4.0-9.2 HB2 LYS 49 - HE3 LYS 44 far 0 100 0 - 4.1-14.8 HB2 ARG 95 - HE2 LYS 96 far 0 99 0 - 4.1-10.7 HB2 ARG 95 - HE3 LYS 94 far 0 66 0 - 4.1-7.1 HB3 LYS 43 - HE3 LYS 44 far 0 100 0 - 4.3-9.7 HB3 LYS 43 - HE2 LYS 44 far 0 100 0 - 4.7-9.0 HB2 LYS 43 - HE2 LYS 44 far 0 98 0 - 4.8-8.3 HB2 LYS 49 - HE2 LYS 44 far 0 100 0 - 5.8-14.5 HG LEU 45 - HE2 LYS 44 far 0 61 0 - 5.9-8.3 HG LEU 45 - HE3 LYS 44 far 0 61 0 - 6.5-9.0 HB2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.1-10.6 HB2 LEU 45 - HE2 LYS 44 far 0 100 0 - 7.6-9.9 HB2 LEU 45 - HE3 LYS 44 far 0 100 0 - 7.7-10.4 HB2 ARG 95 - HE3 LYS 65 far 0 61 0 - 9.5-15.3 HB2 ARG 95 - HE2 LYS 65 far 0 61 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 6154 from cnoeabs.peaks (1.97, 2.93, 41.78 ppm; 4.70 A increased from 4.18 A): 2 out of 13 assignments used, quality = 1.00: HB3 LYS 96 + HE2 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 6097/3.0=58...(38) * HB3 LYS 96 + HE3 LYS 96 OK 95 100 95 100 3.8-4.8 4.9=88, 6097/3.0=58...(38) HB3 ARG 95 - HE3 LYS 96 far 10 100 10 - 3.8-9.9 HB3 ARG 95 - HE3 LYS 94 far 3 68 5 - 4.5-7.2 HB3 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.9-8.9 HB3 ARG 95 - HE2 LYS 96 far 0 100 0 - 5.1-10.0 HB3 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.1-9.2 HB3 GLU 52 - HE3 LYS 44 far 0 61 0 - 5.5-14.1 HB2 LYS 40 - HE3 LYS 44 far 0 61 0 - 5.7-11.0 HB2 LYS 40 - HE2 LYS 44 far 0 61 0 - 6.5-9.4 HB3 GLU 52 - HE2 LYS 44 far 0 61 0 - 6.8-13.8 HB3 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.7-9.3 HB3 GLU 103 - HE3 LYS 94 far 0 43 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 6155 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 4 out of 24 assignments used, quality = 1.00: HG3 LYS 44 + HE2 LYS 44 OK 95 100 95 100 2.1-3.9 3.7=61, ~3954=29...(45) * HG2 LYS 96 + HE3 LYS 96 OK 69 100 70 98 2.2-3.7 3.8=59, 3.0/6129=18...(31) HG3 LYS 44 + HE3 LYS 44 OK 65 100 65 100 2.4-3.6 3.7=61, ~3954=29...(45) HG2 LYS 96 + HE2 LYS 96 OK 59 100 60 98 2.1-4.0 3.8=59, 1.8/6146=17...(31) HG3 ARG 30 - HE2 LYS 44 far 0 87 0 - 4.3-12.3 HG3 LYS 49 - HE3 LYS 44 far 0 65 0 - 4.5-15.3 HG2 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.9-9.1 HB3 LYS 61 - HE2 LYS 65 far 0 56 0 - 5.0-9.8 HG2 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.0-9.7 HG2 LYS 49 - HE3 LYS 44 far 0 65 0 - 5.4-15.1 HG3 ARG 30 - HE3 LYS 44 far 0 87 0 - 5.7-12.2 HG3 LYS 49 - HE2 LYS 44 far 0 65 0 - 5.9-15.0 HB3 LYS 61 - HE3 LYS 65 far 0 56 0 - 6.1-9.7 HG2 LYS 49 - HE2 LYS 44 far 0 65 0 - 6.8-14.8 HG LEU 80 - HE3 LYS 94 far 0 68 0 - 8.0-9.5 HB3 LEU 63 - HE2 LYS 65 far 0 44 0 - 8.4-12.0 HG2 LYS 39 - HE3 LYS 44 far 0 70 0 - 8.5-15.3 HG12 ILE 56 - HE2 LYS 44 far 0 84 0 - 8.6-13.6 HB3 LEU 63 - HE3 LYS 65 far 0 44 0 - 9.0-12.3 HG2 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.4-11.6 HG LEU 80 - HE3 LYS 65 far 0 63 0 - 9.5-13.0 HG12 ILE 56 - HE3 LYS 44 far 0 84 0 - 9.5-14.3 HB3 LEU 4 - HE2 LYS 44 far 0 100 0 - 9.8-14.9 HG LEU 80 - HE2 LYS 65 far 0 63 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 6156 from cnoeabs.peaks (1.57, 2.93, 41.78 ppm; 3.72 A increased from 2.98 A): 4 out of 13 assignments used, quality = 1.00: HG3 LYS 96 + HE2 LYS 96 OK 95 100 95 100 2.2-3.8 3.8=95, 3.0/6129=21...(33) HG2 LYS 44 + HE2 LYS 44 OK 87 87 100 100 2.1-3.7 3.7=99, 3954/3.0=59...(44) * HG3 LYS 96 + HE3 LYS 96 OK 75 100 75 100 2.1-4.2 3.8=95, 3.0/6129=23...(33) HG2 LYS 44 + HE3 LYS 44 OK 43 87 50 100 2.2-4.2 3.7=99, 3954/3.0=59...(44) HD3 LYS 106 - HE3 LYS 94 lone 2 61 75 5 2.2-4.7 11540/6079=4 HD2 LYS 106 - HE3 LYS 94 lone 1 59 35 5 2.1-5.7 11540/6079=4 HG3 LYS 96 - HE3 LYS 65 far 0 63 0 - 4.7-9.1 HG3 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.1-9.8 HG LEU 68 - HE3 LYS 65 far 0 34 0 - 6.2-9.3 HG LEU 68 - HE2 LYS 65 far 0 34 0 - 6.6-9.5 HG3 LYS 96 - HE3 LYS 94 far 0 68 0 - 9.2-11.4 HG LEU 68 - HE2 LYS 96 far 0 65 0 - 9.6-14.7 HG LEU 68 - HE3 LYS 96 far 0 65 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 6157 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.97 A increased from 2.50 A): 4 out of 25 assignments used, quality = 1.00: * HD2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=21...(34) HD2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=23...(34) HD3 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=23...(33) HD3 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=21...(33) HG3 ARG 95 - HE3 LYS 96 far 5 99 5 - 2.0-11.5 HG3 ARG 95 - HE3 LYS 94 far 3 65 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 3 62 5 - 3.0-11.3 HG3 ARG 95 - HE2 LYS 96 far 0 99 0 - 3.1-11.6 HD2 LYS 96 - HE3 LYS 65 far 0 63 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 62 0 - 3.8-11.8 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-11.2 HD2 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-10.8 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.0-10.1 HD2 LYS 96 - HE2 LYS 65 far 0 63 0 - 5.2-11.4 HD2 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.4-9.4 HD2 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.0-11.2 HD2 LYS 43 - HE3 LYS 44 far 0 100 0 - 6.2-11.8 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 6.3-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.4-11.3 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.5-12.7 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 7.4-11.9 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.7-11.6 HG3 LYS 39 - HE3 LYS 44 far 0 65 0 - 8.4-14.9 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 60 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 6158 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.97 A increased from 2.50 A): 6 out of 27 assignments used, quality = 1.00: * HD3 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=23...(33) HD3 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 1.8/6129=21...(33) HD2 LYS 96 + HE3 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=21...(34) HD2 LYS 96 + HE2 LYS 96 OK 100 100 100 100 2.3-3.0 3.0=98, 6130/1.8=23...(34) HD2 LYS 44 + HE3 LYS 44 OK 65 65 100 100 2.3-3.0 3.0=100 HD2 LYS 44 + HE2 LYS 44 OK 65 65 100 100 2.3-3.0 3.0=100 HG3 ARG 95 - HE3 LYS 96 far 5 97 5 - 2.0-11.5 HG3 ARG 95 - HE3 LYS 94 far 3 63 5 - 2.3-8.0 HD3 LYS 96 - HE3 LYS 65 far 3 63 5 - 3.0-11.3 HG3 ARG 95 - HE2 LYS 96 far 0 97 0 - 3.1-11.6 HD2 LYS 96 - HE3 LYS 65 far 0 62 0 - 3.8-11.1 HD3 LYS 96 - HE2 LYS 65 far 0 63 0 - 3.8-11.8 HD3 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-11.2 HD2 LYS 40 - HE3 LYS 44 far 0 100 0 - 4.2-10.8 HD3 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.0-10.1 HD2 LYS 96 - HE2 LYS 65 far 0 62 0 - 5.2-11.4 HD2 LYS 40 - HE2 LYS 44 far 0 100 0 - 5.4-9.4 HD2 LYS 43 - HE2 LYS 44 far 0 99 0 - 6.0-11.2 HD2 LYS 43 - HE3 LYS 44 far 0 99 0 - 6.2-11.8 HB ILE 54 - HE2 LYS 44 far 0 100 0 - 6.3-12.3 HD3 LYS 43 - HE2 LYS 44 far 0 100 0 - 6.4-11.3 HB ILE 54 - HE3 LYS 44 far 0 100 0 - 6.5-12.7 HD3 LYS 43 - HE3 LYS 44 far 0 100 0 - 7.4-11.9 HD2 LYS 96 - HE3 LYS 94 far 0 68 0 - 7.7-11.6 HG3 LYS 39 - HE3 LYS 44 far 0 73 0 - 8.4-14.9 HD3 LYS 96 - HE3 LYS 94 far 0 68 0 - 8.6-11.7 HG3 ARG 95 - HE3 LYS 65 far 0 58 0 - 10.0-15.8 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): 1 out of 3 assignments used, quality = 1.00: * H ILE 97 + HA ILE 97 OK 100 100 100 100 2.9-2.9 3.0=100 H LYS 39 - HB3 SER 35 far 0 58 0 - 4.6-6.2 HE21 GLN 62 - HB3 SER 35 far 0 36 0 - 5.4-8.4 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 1 assignment used, quality = 1.00: * HB ILE 97 + HA ILE 97 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.3-2.5 3.2=100 QG2 ILE 56 - HB3 SER 35 far 0 45 0 - 9.5-10.0 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 1 assignment used, quality = 1.00: * HG12 ILE 97 + HA ILE 97 OK 100 100 100 100 2.5-3.0 4.0=100 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 2.6-2.9 4.0=100 QG1 VAL 104 - HA ILE 97 far 0 99 0 - 6.0-6.5 QD1 LEU 70 - HB3 SER 35 far 0 29 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 6167 from cnoeabs.peaks (0.36, 3.94, 62.57 ppm; 4.06 A increased from 3.82 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + HA ILE 97 OK 100 100 100 100 3.8-3.9 6197=100, 6196/3.0=60...(13) Violated in 0 structures by 0.00 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 2.3-2.5 1647=100, 1650/2.9=66...(8) 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 2.5-3.0 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 2.5-3.0 2.9=100 QG1 VAL 104 + HB ILE 97 OK 40 99 40 100 3.5-4.1 11507=80, 2.1/11508=75...(10) 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 2.1-2.4 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 - 7.8-8.4 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 2.3-2.5 3.2=100 HA MET 67 - QG2 ILE 97 far 0 92 0 - 8.6-9.0 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 4 assignments used, quality = 1.00: * HB ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 64 - QG2 ILE 97 far 0 61 0 - 7.0-7.4 HB3 ARG 105 - QG2 ILE 97 far 0 96 0 - 8.3-8.9 HG2 ARG 105 - QG2 ILE 97 far 0 100 0 - 9.4-10.8 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 2 assignments used, quality = 1.00: * HG12 ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.2-3.2 3.2=100 HG13 ILE 71 - QG2 ILE 97 far 0 61 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 6180 from cnoeabs.peaks (0.93, 0.68, 18.75 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 97 + QG2 ILE 97 OK 100 100 100 100 2.4-3.2 3.2=100 QG1 VAL 104 - QG2 ILE 97 far 0 99 0 - 3.9-4.3 QD1 LEU 70 - QG2 ILE 97 far 0 61 0 - 8.7-9.1 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 1.9-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 6182 from cnoeabs.peaks (7.83, 1.00, 27.27 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.3-4.1 1649=100, 1650/1.8=92...(8) HE21 GLN 62 - HG12 ILE 97 far 0 73 0 - 9.8-13.0 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 2.5-3.0 4.0=100 HA MET 67 - HG12 ILE 97 far 0 92 0 - 9.7-12.2 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 2 assignments used, quality = 1.00: * HB ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LEU 64 - HG12 ILE 97 far 0 61 0 - 7.6-8.5 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 1 assignment used, quality = 1.00: * QG2 ILE 97 + HG12 ILE 97 OK 100 100 100 100 2.2-3.2 3.2=100 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 0 99 0 - 5.0-6.5 QD1 LEU 70 - HG12 ILE 97 far 0 61 0 - 9.6-11.7 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 2.4-3.5 1650=100, 1649/1.8=73...(8) H TYR 27 - HG13 ILE 54 far 0 35 0 - 8.7-9.7 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 1 assignment used, quality = 1.00: * HA ILE 97 + HG13 ILE 97 OK 100 100 100 100 2.6-2.9 4.0=100 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 4 assignments used, quality = 1.00: * HB ILE 97 + HG13 ILE 97 OK 100 100 100 100 2.5-3.0 2.9=100 HB ILE 3 - HG13 ILE 54 far 0 51 0 - 6.7-7.3 HB2 LEU 64 - HG13 ILE 97 far 0 61 0 - 8.0-8.9 HG12 ILE 5 - HG13 ILE 54 far 0 52 0 - 9.6-10.4 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 4 assignments used, quality = 1.00: * QG2 ILE 97 + HG13 ILE 97 OK 100 100 100 100 2.4-3.2 3.2=100 QD2 LEU 4 + HG13 ILE 54 OK 43 50 100 85 2.9-3.4 10734/3.0=54...(5) QD1 LEU 55 - HG13 ILE 54 far 0 51 0 - 8.0-8.3 QG2 ILE 56 - HG13 ILE 54 far 0 39 0 - 8.3-8.7 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 2 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 54 far 0 25 0 - 9.1-10.1 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 2 assignments used, quality = 1.00: * H ILE 97 + QD1 ILE 97 OK 100 100 100 100 3.2-3.7 1651=88, 1650/2.1=84...(10) HE21 GLN 62 - QD1 ILE 97 far 0 73 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 6197 from cnoeabs.peaks (3.94, 0.36, 11.90 ppm; 3.97 A increased from 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 97 + QD1 ILE 97 OK 100 100 100 100 3.8-3.9 6167=94, 3.0/6196=57...(13) HA MET 67 - QD1 ILE 97 far 0 92 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 6198 from cnoeabs.peaks (1.81, 0.36, 11.90 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 97 + QD1 ILE 97 OK 100 100 100 100 2.1-2.4 3.2=100 HB2 LEU 64 - QD1 ILE 97 far 0 61 0 - 5.1-5.6 HB3 ARG 105 - QD1 ILE 97 far 0 96 0 - 8.7-9.3 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 2 assignments used, quality = 1.00: * QG2 ILE 97 + QD1 ILE 97 OK 100 100 100 100 1.9-2.4 3.0=100 QG2 ILE 56 - QD1 ILE 97 far 0 87 0 - 8.2-9.2 Violated in 0 structures by 0.00 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 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 6201 from cnoeabs.peaks (0.93, 0.36, 11.90 ppm; 3.15 A): 1 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 far 0 99 0 - 3.6-4.3 QD1 LEU 70 - QD1 ILE 97 far 0 61 0 - 8.4-9.0 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): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HA GLU 98 OK 100 100 100 100 2.8-2.8 3.0=100 H VAL 104 - HA GLU 98 far 0 61 0 - 4.0-4.8 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 2.6-2.7 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 3 assignments used, quality = 1.00: * HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 GLN 100 - HA GLU 98 far 0 99 0 - 4.6-6.5 HB2 LYS 94 - HA GLU 98 far 0 70 0 - 6.6-7.5 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 2.2-3.6 6222=97, 6224/2.9=65...(14) 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 2.2-3.5 6228=95, 1.8/6207=86...(13) HG2 GLN 100 - HA GLU 98 far 0 99 0 - 5.5-7.3 Violated in 0 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 2.2-2.2 1654=100, 6215/1.8=75...(12) H VAL 104 - HB2 GLU 98 far 0 61 0 - 5.1-6.1 Violated in 0 structures by 0.00 A. Peak 6210 from cnoeabs.peaks (4.34, 2.18, 29.43 ppm; 3.09 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.6-2.7 2.9=100 HA GLN 85 + HB2 GLN 85 OK 90 90 100 100 2.3-2.6 3.0=100 HA SER 99 - HB2 GLU 98 far 0 97 0 - 5.5-5.6 HA PHE 93 - HB2 GLU 98 far 0 99 0 - 7.4-7.9 HB THR 9 - HB2 GLN 85 far 0 64 0 - 9.8-12.1 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 - 4.3-5.5 HB3 GLN 100 - HB2 GLU 98 far 0 99 0 - 6.8-8.6 HB2 GLU 89 - HB2 GLN 85 far 0 71 0 - 8.4-11.1 HB3 GLU 91 - HB2 GLU 98 far 0 73 0 - 8.8-9.3 HB3 GLU 87 - HB2 GLN 85 far 0 71 0 - 8.9-10.0 HB2 GLU 66 - HB3 GLU 37 far 0 42 0 - 9.6-10.2 HB3 GLU 89 - HB2 GLN 85 far 0 71 0 - 9.7-10.8 HB2 GLU 92 - HB2 GLU 98 far 0 100 0 - 9.8-10.4 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 2 assignments used, quality = 1.00: * HG2 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 67 - HB3 GLU 37 far 0 31 0 - 9.7-11.4 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 2.3-2.6 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 - 6.8-9.0 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 2.8-3.0 1655=86, 1654/1.8=74...(10) H GLU 98 - HB3 GLN 100 far 0 72 0 - 5.2-7.0 H VAL 104 - HB3 GLU 98 far 0 61 0 - 6.1-7.0 H VAL 104 - HB3 GLN 100 far 0 37 0 - 7.3-9.7 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 13 assignments used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 3.0-3.0 2.9=100 HA GLN 85 + HB3 GLN 85 OK 62 63 100 100 2.6-3.0 3.0=98, 3.0/1563=33...(18) HA SER 99 - HB3 GLU 98 far 0 97 0 - 4.0-4.1 HA GLU 98 - HB3 GLN 100 far 0 72 0 - 4.6-6.5 HA SER 99 - HB3 GLN 100 far 0 67 0 - 5.6-6.5 HA PHE 93 - HB3 GLU 89 far 0 49 0 - 7.1-9.1 HA GLN 85 - HB3 GLU 87 far 0 58 0 - 7.3-7.8 HA PHE 93 - HB2 GLU 89 far 0 49 0 - 7.4-8.7 HA GLN 85 - HB2 GLU 89 far 0 51 0 - 8.2-10.4 HA PHE 93 - HB3 GLU 98 far 0 99 0 - 8.4-8.9 HA GLN 85 - HB3 GLU 89 far 0 51 0 - 9.4-10.2 HA PHE 93 - HB3 GLN 100 far 0 70 0 - 9.9-11.7 HB THR 9 - HB3 GLN 85 far 0 41 0 - 10.0-11.7 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 45 48 100 95 2.3-2.4 3.0=52, 4910/1.8=50...(13) HB2 GLU 98 - HB3 GLN 100 far 0 72 0 - 6.8-8.6 HB3 GLN 62 - HB2 GLU 66 far 0 41 0 - 7.1-7.6 HB2 MET 42 - HB2 GLU 66 far 0 41 0 - 7.6-8.2 HB2 GLN 62 - HB2 GLU 66 far 0 41 0 - 7.9-8.3 HB2 GLN 85 - HB2 GLU 89 far 0 48 0 - 8.4-11.1 HB2 GLN 85 - HB3 GLU 87 far 0 55 0 - 8.9-10.0 HB3 GLU 37 - HB2 GLU 66 far 0 52 0 - 9.6-10.2 HB2 GLN 85 - HB3 GLU 89 far 0 48 0 - 9.7-10.8 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; 3.03 A increased from 2.70 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 66 + HB2 GLU 66 OK 37 37 100 100 3.0-3.0 3.0=100 HG2 GLU 98 - HB3 GLN 100 far 0 72 0 - 6.7-8.5 HG3 MET 67 - HB2 GLU 66 far 0 29 0 - 7.0-7.6 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 6 assignments used, quality = 1.00: * HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLN 100 + HB3 GLN 100 OK 70 70 100 100 2.3-3.0 3.0=100 HG3 GLU 69 - HB2 GLU 66 far 0 54 0 - 4.1-7.5 HG3 GLU 69 - HB3 GLN 100 far 0 72 0 - 5.2-10.2 HG2 GLN 100 - HB3 GLU 98 far 0 99 0 - 6.6-9.1 HG3 GLU 98 - HB3 GLN 100 far 0 72 0 - 6.8-9.9 Violated in 0 structures by 0.00 A. Peak 6221 from cnoeabs.peaks (8.67, 2.38, 36.43 ppm; 4.48 A increased from 4.22 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HG2 GLU 98 OK 100 100 100 100 4.1-4.5 1656=96, 1654/3.0=81...(10) H VAL 104 + HG2 GLU 98 OK 21 61 85 41 3.4-5.3 3.9/10232=31, 6227/1.8=13 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 2.2-3.6 6207=100, 2.9/6224=66...(14) HA SER 99 - HG2 GLU 98 far 0 97 0 - 4.9-5.9 HA PHE 93 - HG2 GLU 98 far 0 99 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 6223 from cnoeabs.peaks (2.18, 2.38, 36.43 ppm; 3.10 A increased from 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6224 from cnoeabs.peaks (2.05, 2.38, 36.43 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.6-3.0 3.0=98, 2.9/6207=40...(8) HB2 LYS 94 - HG2 GLU 98 far 0 70 0 - 5.6-7.4 HB3 GLN 100 - HG2 GLU 98 far 0 99 0 - 6.7-8.5 HB3 GLU 91 - HG2 GLU 98 far 0 73 0 - 9.3-11.2 Violated in 0 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 - 7.6-10.5 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 4.1-4.4 1657=100, 1654/3.0=79...(11) H VAL 104 + HG3 GLU 98 OK 20 61 55 61 3.6-5.3 3.9/10233=43...(3) 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 2.2-3.5 6208=100, 6207/1.8=88...(13) HA SER 99 - HG3 GLU 98 far 0 97 0 - 5.5-6.3 HA PHE 93 - HG3 GLU 98 far 0 99 0 - 9.4-10.0 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 2 assignments used, quality = 0.99: * HB2 GLU 98 + HG3 GLU 98 OK 98 100 100 98 2.3-2.6 3.0=87, ~6224=35...(9) HB3 GLU 37 + HG2 GLU 37 OK 66 90 75 97 2.6-3.0 3.0=88, 3.0/3505=31...(9) Violated in 0 structures by 0.00 A. Peak 6230 from cnoeabs.peaks (2.05, 2.44, 36.43 ppm; 3.01 A increased from 2.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LYS 94 - HG3 GLU 98 far 0 70 0 - 5.1-6.9 HB3 GLN 100 - HG3 GLU 98 far 0 99 0 - 6.8-9.9 HB3 GLU 91 - HG3 GLU 98 far 0 73 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 6231 from cnoeabs.peaks (2.38, 2.44, 36.43 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 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 2.8-2.9 2.9=100 H PHE 93 + HA PHE 93 OK 98 98 100 100 2.8-2.9 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 - 8.1-8.5 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; 3.19 A increased from 3.00 A): 2 out of 5 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.4-3.0 3.0=100 HA3 GLY 101 - HA SER 99 far 0 84 0 - 6.3-6.6 HB2 SER 99 - HA PHE 93 far 0 99 0 - 9.0-10.8 HB3 SER 99 - HA PHE 93 far 0 99 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 6236 from cnoeabs.peaks (4.00, 4.34, 60.41 ppm; 3.19 A increased from 3.00 A): 2 out of 5 assignments used, quality = 1.00: HB2 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.4-3.0 3.0=100 HA3 GLY 101 - HA SER 99 far 0 84 0 - 6.3-6.6 HB2 SER 99 - HA PHE 93 far 0 99 0 - 9.0-10.8 HB3 SER 99 - HA PHE 93 far 0 99 0 - 9.1-11.0 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 2 assignments used, quality = 1.00: H SER 99 + HB3 SER 99 OK 95 100 100 95 2.3-3.6 4.0=86, 1661/1.8=46...(4) * H SER 99 + HB2 SER 99 OK 95 100 100 95 2.3-3.6 4.0=86, 1661/1.8=38...(4) 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 - HB2 SER 99 far 0 97 0 - 5.6-6.6 HA GLU 98 - HB3 SER 99 far 0 97 0 - 5.6-6.6 HA PHE 93 - HB2 SER 99 far 0 100 0 - 9.0-10.8 HA PHE 93 - HB3 SER 99 far 0 100 0 - 9.1-11.0 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 2 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 95 100 100 95 2.3-3.6 4.0=86, 1661/1.8=46...(4) H SER 99 + HB2 SER 99 OK 95 100 100 95 2.3-3.6 4.0=86, 1661/1.8=38...(4) 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 - HB2 SER 99 far 0 97 0 - 5.6-6.6 HA GLU 98 - HB3 SER 99 far 0 97 0 - 5.6-6.6 HA PHE 93 - HB2 SER 99 far 0 100 0 - 9.0-10.8 HA PHE 93 - HB3 SER 99 far 0 100 0 - 9.1-11.0 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 - 8.1-9.2 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 2.4-3.0 3.0=100 HB2 GLU 69 - HA GLN 100 far 0 94 0 - 9.1-10.3 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 2.5-3.0 3.0=100 HB3 GLU 98 - HA GLN 100 far 0 99 0 - 7.4-7.7 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 2.3-3.8 4.1=100 HG3 GLU 69 - HA GLN 100 far 0 99 0 - 6.5-11.3 HG3 GLU 98 - HA GLN 100 far 0 99 0 - 8.2-9.6 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 2.2-3.8 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 99 100 100 99 2.2-3.6 4.0=72, 1665/1.8=65...(9) H GLU 69 + HB2 GLU 69 OK 82 82 100 100 2.2-2.7 1454=91, 1455/1.8=71...(12) H GLU 69 - HB2 GLN 100 far 0 99 0 - 6.1-7.7 H LEU 74 - HB2 GLU 69 far 0 61 0 - 7.7-9.0 H LEU 64 - HB2 GLU 69 far 0 83 0 - 9.0-9.9 H LEU 74 - HB2 GLN 100 far 0 81 0 - 9.6-12.8 H GLN 100 - HB2 GLU 69 far 0 84 0 - 10.0-11.5 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 2.4-3.0 3.0=100 HA LYS 73 - HB2 GLU 69 far 0 45 0 - 8.1-9.3 HA GLN 100 - HB2 GLU 69 far 0 84 0 - 9.1-10.3 HA LYS 73 - HB2 GLN 100 far 0 61 0 - 9.6-12.2 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 6 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 - 4.6-5.8 HB3 GLU 98 - HB2 GLN 100 far 0 99 0 - 6.5-8.5 HB3 MET 67 - HB2 GLU 69 far 0 84 0 - 6.8-7.1 HB3 GLN 100 - HB2 GLU 69 far 0 84 0 - 7.8-9.9 HB3 MET 67 - HB2 GLN 100 far 0 100 0 - 9.9-10.9 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 2.3-2.7 3.0=100 HG3 GLU 69 + HB2 GLU 69 OK 82 82 100 100 2.4-3.0 3.0=100 HG3 GLU 69 - HB2 GLN 100 far 0 99 0 - 5.3-9.3 HG2 GLN 100 - HB2 GLU 69 far 0 84 0 - 7.0-9.1 HG3 GLU 98 - HB2 GLN 100 far 0 99 0 - 7.2-9.9 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 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 6261 from cnoeabs.peaks (7.62, 2.05, 29.21 ppm; 3.86 A): 2 out of 12 assignments used, quality = 1.00: * H GLN 100 + HB3 GLN 100 OK 100 100 100 100 2.4-3.6 1665=97, 638/7820=50...(9) HE21 GLN 85 + HB3 GLN 85 OK 35 82 45 95 2.3-4.6 4.4=67, 985/3.0=38...(15) H GLN 100 - HB3 GLU 98 far 0 72 0 - 4.7-5.1 H GLU 69 - HB2 GLU 66 far 0 87 0 - 5.6-5.8 H GLU 69 - HB3 GLN 100 far 0 99 0 - 6.5-8.1 H LEU 64 - HB2 GLU 66 far 0 88 0 - 6.6-7.1 HD21 ASN 10 - HB3 GLN 85 far 0 47 0 - 6.6-10.1 HD21 ASN 10 - HB2 GLU 89 far 0 53 0 - 7.1-11.8 HD21 ASN 10 - HB3 GLU 89 far 0 53 0 - 7.6-12.7 HE21 GLN 85 - HB3 GLU 89 far 0 90 0 - 8.2-13.5 HE21 GLN 85 - HB2 GLU 89 far 0 90 0 - 8.7-13.8 H ASP 34 - HB2 GLU 66 far 0 83 0 - 9.8-10.5 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 4 assignments used, quality = 1.00: * HA GLN 100 + HB3 GLN 100 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 100 - HB3 GLU 98 far 0 72 0 - 7.4-7.7 HA LYS 73 - HB3 GLN 100 far 0 61 0 - 9.6-12.2 HB THR 9 - HB3 GLN 85 far 0 68 0 - 10.0-11.7 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 7 assignments used, quality = 1.00: * HB2 GLN 100 + HB3 GLN 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 69 - HB2 GLU 66 far 0 79 0 - 4.6-5.8 HB2 MET 67 - HB2 GLU 66 far 0 83 0 - 4.7-5.3 HB2 GLN 100 - HB3 GLU 98 far 0 72 0 - 6.5-8.5 HB2 MET 42 - HB2 GLU 66 far 0 49 0 - 7.6-8.2 HB2 GLU 69 - HB3 GLN 100 far 0 94 0 - 7.8-9.9 HB2 GLN 83 - HB3 GLN 85 far 0 82 0 - 7.8-9.5 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 7 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 2.6-3.0 3.0=100 HG3 GLU 69 - HB2 GLU 66 far 0 87 0 - 4.1-7.5 HG3 GLU 69 - HB3 GLN 100 far 0 99 0 - 5.2-10.2 HG2 GLN 100 - HB3 GLU 98 far 0 72 0 - 6.6-9.1 HG3 GLU 98 - HB3 GLN 100 far 0 99 0 - 6.8-9.9 HG3 GLU 41 - HB2 GLU 66 far 0 52 0 - 8.3-11.5 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 3 assignments used, quality = 0.88: * HG3 GLN 100 + HB3 GLN 100 OK 88 100 100 88 2.3-2.6 3.0=73, 6278/3.0=29...(6) HG2 GLN 83 - HB3 GLN 85 far 0 57 0 - 5.9-7.6 HG3 GLN 100 - HB3 GLU 98 far 0 72 0 - 6.1-9.4 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 2 assignments used, quality = 1.00: * H GLN 100 + HG2 GLN 100 OK 100 100 100 100 2.1-4.5 1666=87, 3.0/6270=75...(10) H GLU 69 - HG2 GLN 100 far 0 99 0 - 5.4-7.9 Violated in 2 structures by 0.00 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 2.3-3.8 4.1=79, 6278/1.8=76...(11) HA LYS 73 - HG2 GLN 100 far 0 61 0 - 9.7-12.9 Violated in 2 structures by 0.00 A. Peak 6271 from cnoeabs.peaks (2.21, 2.44, 34.18 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 100 + HG2 GLN 100 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLU 69 - HG2 GLN 100 far 0 94 0 - 7.0-9.1 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 3 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 - 6.6-9.1 HB3 MET 67 - HG2 GLN 100 far 0 100 0 - 9.2-11.8 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 2.1-3.7 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 2.4-4.1 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 2.1-4.6 6269/1.8=82, 4.9=81...(9) H GLU 69 - HG3 GLN 100 far 0 99 0 - 6.1-7.9 H LEU 74 - HG3 GLN 100 far 0 81 0 - 9.6-13.9 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 2.2-3.8 6250=80, 3.0/6266=75...(11) HA LYS 73 - HG3 GLN 100 far 0 61 0 - 8.8-13.2 Violated in 2 structures by 0.01 A. Peak 6279 from cnoeabs.peaks (2.21, 2.35, 34.18 ppm; 3.57 A): 1 out of 2 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 - 7.9-9.5 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 3 assignments used, quality = 1.00: * HB3 GLN 100 + HG3 GLN 100 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLU 98 - HG3 GLN 100 far 0 99 0 - 6.1-9.4 HB3 MET 67 - HG3 GLN 100 far 0 100 0 - 9.4-11.4 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 0 99 0 - 5.1-10.3 HG3 GLU 98 - HG3 GLN 100 far 0 99 0 - 7.1-10.9 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 2.1-4.1 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 2.4-4.0 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 2.6-2.7 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 3 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 - 6.8-7.7 HB2 SER 99 - HA2 GLY 101 far 0 84 0 - 7.1-7.7 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 2.9-2.9 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 1 assignment used, quality = 1.00: * HA2 GLY 101 + HA3 GLY 101 OK 100 100 100 100 1.8-1.8 1.8=100 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 3.0-3.0 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 2.3-2.4 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 2.4-3.0 3.7=100 HZ PHE 79 - HA TYR 102 far 0 98 0 - 8.0-9.2 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 2.7-3.0 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 3.0-3.0 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 1 assignment used, quality = 1.00: * QD TYR 102 + HB2 TYR 102 OK 100 100 100 100 2.3-2.4 2.5=100 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 3.6-4.0 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 2.3-2.4 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 2.4-2.7 2.5=100 HZ PHE 79 - HB3 TYR 102 far 0 98 0 - 8.6-9.8 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 4.4-4.4 4.4=100 HG3 GLU 41 - QE TYR 76 far 0 65 0 - 8.9-12.3 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 2.3-5.3 3.0/4628=98, 3.9/4627=93...(7) HG3 MET 42 - QE TYR 76 far 0 73 0 - 7.8-8.9 HG3 MET 42 - QE TYR 102 far 0 90 0 - 8.9-10.4 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 HZ PHE 79 - QE TYR 102 far 0 97 0 - 9.7-11.2 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 2.4-3.0 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 2.3-2.4 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 1 assignment used, quality = 1.00: * HB3 TYR 102 + QD TYR 102 OK 100 100 100 100 2.4-2.7 2.5=100 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 2 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 - 6.1-7.0 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 2.6-3.0 3.0=100 HB3 PHE 79 - HA GLU 103 far 0 87 0 - 7.4-8.0 HB2 LYS 94 - HA GLU 103 far 0 70 0 - 8.8-10.5 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 2.6-3.9 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 2.2-3.3 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 2.2-2.5 4.0=100 H MET 121 - HB2 GLU 103 far 0 100 0 - 9.0-11.2 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 2.6-3.0 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 2.3-3.0 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 2.8-3.5 4.0=100 H MET 121 - HB3 GLU 103 far 0 100 0 - 9.3-10.7 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 0 87 0 - 4.9-7.0 HG2 GLU 119 - HB3 GLU 103 far 0 90 0 - 8.3-11.7 HB2 LYS 94 - HB3 GLU 103 far 0 70 0 - 9.8-12.7 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 2.4-3.0 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 2.9-4.7 4.8=100 H MET 121 - HG2 GLU 103 far 0 100 0 - 8.5-11.8 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 2.6-3.9 4.0=100 HA ASP 84 - HG2 GLU 89 far 0 61 0 - 6.4-10.4 Violated in 0 structures by 0.00 A. Peak 6359 from cnoeabs.peaks (2.09, 2.26, 36.25 ppm; 2.86 A): 1 out of 14 assignments used, quality = 0.83: * HB2 GLU 103 + HG2 GLU 103 OK 83 100 90 92 2.3-3.0 3.0=87, 1683/4.8=17...(4) HB2 GLU 111 - HG3 GLU 111 poor 8 32 25 - 2.3-3.0 HB2 GLU 112 - HG3 GLU 111 far 0 42 0 - 3.4-8.4 HB3 GLU 112 - HG3 GLU 111 far 0 42 0 - 4.4-7.8 HB3 GLU 91 - HG3 GLU 92 far 0 31 0 - 4.9-6.3 HB3 PHE 79 - HG2 GLU 103 far 0 87 0 - 4.9-8.0 HB2 LYS 94 - HG3 GLU 92 far 0 33 0 - 6.4-8.7 HB2 GLU 87 - HG2 GLU 89 far 0 58 0 - 6.6-8.8 HB3 GLU 91 - HG2 GLU 89 far 0 34 0 - 6.8-9.0 HG3 GLU 21 - HG3 GLU 111 far 0 24 0 - 6.9-10.5 HG2 GLU 21 - HG3 GLU 111 far 0 21 0 - 7.7-11.4 HB2 GLU 87 - HG3 GLU 92 far 0 53 0 - 7.9-9.5 HG2 GLU 119 - HG2 GLU 103 far 0 90 0 - 8.7-13.0 HB2 LYS 94 - HG2 GLU 89 far 0 37 0 - 8.9-11.6 Violated in 2 structures by 0.02 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 HB2 LYS 17 - HG3 GLU 111 far 0 40 0 - 6.1-10.4 HB3 LYS 96 - HG3 GLU 92 far 0 35 0 - 6.7-9.1 HB3 ARG 95 - HG3 GLU 92 far 0 33 0 - 7.4-8.6 HB3 GLU 21 - HG3 GLU 111 far 0 29 0 - 8.7-12.0 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 8 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 HG3 GLU 112 - HG3 GLU 111 far 0 27 0 - 5.1-9.2 HG3 GLU 89 - HG3 GLU 92 far 0 44 0 - 5.3-7.4 HG2 GLU 112 - HG3 GLU 111 far 0 29 0 - 5.9-9.6 HG2 GLU 92 - HG2 GLU 89 far 0 58 0 - 6.2-9.4 HG2 GLN 83 - HG2 GLU 89 far 0 47 0 - 9.8-13.9 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 2 assignments used, quality = 1.00: * HA GLU 103 + HG3 GLU 103 OK 100 100 100 100 2.2-3.3 4.0=100 HA ASP 84 - HG3 GLU 89 far 0 44 0 - 6.1-9.8 Violated in 0 structures by 0.00 A. Peak 6365 from cnoeabs.peaks (2.09, 2.32, 36.25 ppm; 2.57 A): 2 out of 15 assignments used, quality = 0.57: * HB2 GLU 103 + HG3 GLU 103 OK 36 100 50 72 2.3-3.0 3.0=63, 4.7/7835=13, 1683/4.8=13 HB3 GLU 112 + HG2 GLU 112 OK 32 38 100 85 2.3-2.6 3.0=65, ~6646=12...(12) HB2 GLU 112 - HG2 GLU 112 poor 18 38 55 87 2.5-3.0 3.0=65, 6623/4.1=22...(12) HB2 GLU 111 - HG2 GLU 112 far 0 29 0 - 3.6-8.5 HB3 PHE 79 - HG3 GLU 103 far 0 87 0 - 5.5-8.5 HG2 GLU 52 - HG3 GLU 48 far 0 52 0 - 5.7-13.1 HB3 GLU 91 - HG2 GLU 92 far 0 34 0 - 6.0-7.2 HB2 GLU 87 - HG3 GLU 89 far 0 42 0 - 6.6-8.2 HB3 GLU 91 - HG3 GLU 89 far 0 24 0 - 6.7-8.1 HB2 LYS 94 - HG2 GLU 92 far 0 37 0 - 7.2-9.2 HG2 GLU 119 - HG2 GLU 112 far 0 31 0 - 7.3-10.7 HB2 LYS 94 - HG3 GLU 89 far 0 26 0 - 8.3-11.3 HB2 GLU 87 - HG2 GLU 92 far 0 58 0 - 9.1-10.2 HG2 GLU 119 - HG3 GLU 103 far 0 90 0 - 9.2-12.6 HB2 LYS 94 - HG3 GLU 103 far 0 70 0 - 9.4-12.4 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 4 assignments used, quality = 1.00: * HB3 GLU 103 + HG3 GLU 103 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 95 - HG2 GLU 92 far 0 37 0 - 6.7-9.7 HB3 LYS 96 - HG2 GLU 92 far 0 39 0 - 6.8-9.1 HB2 LYS 17 - HG3 GLU 13 far 0 40 0 - 8.0-8.9 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 92 - HG3 GLU 89 far 0 40 0 - 5.3-7.4 HG3 GLU 111 - HG2 GLU 112 far 0 28 0 - 5.9-9.6 HG2 GLU 89 - HG2 GLU 92 far 0 58 0 - 6.2-9.4 HG2 GLN 28 - HG3 GLU 48 far 0 41 0 - 8.1-16.6 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 0 61 0 - 7.0-7.5 H ASN 8 - HA VAL 104 far 0 70 0 - 7.5-8.0 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 3.0-3.0 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 2.3-2.5 3.2=100 HG13 ILE 97 - HA VAL 104 far 0 99 0 - 8.2-8.8 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 2.2-2.4 3.2=100 QD1 LEU 90 - HA VAL 104 far 0 61 0 - 6.2-6.7 QD2 LEU 90 - HA VAL 104 far 0 100 0 - 7.3-8.1 QG2 VAL 117 - HA VAL 104 far 0 61 0 - 8.4-8.9 QG2 VAL 107 - HA VAL 104 far 0 73 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 6374 from cnoeabs.peaks (8.65, 1.95, 34.17 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 104 + HB VAL 104 OK 100 100 100 100 2.4-2.6 1689=100, 1691/2.1=83...(5) H GLU 98 - HB VAL 104 far 0 61 0 - 4.5-5.3 H ASN 8 - HB VAL 104 far 0 70 0 - 9.7-10.2 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 3.0-3.0 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 0 99 0 - 7.1-7.8 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 3 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 - 5.7-6.3 QD2 LEU 90 - HB VAL 104 far 0 100 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 6379 from cnoeabs.peaks (8.65, 0.93, 20.69 ppm; 3.84 A increased from 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 104 + QG1 VAL 104 OK 100 100 100 100 3.7-3.8 1690=100, 1691/2.1=81...(5) H GLU 98 - QG1 VAL 104 far 0 61 0 - 4.5-5.0 H ASN 8 - QG1 VAL 104 far 0 70 0 - 6.2-7.0 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 2.3-2.5 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 2 assignments used, quality = 1.00: * HB VAL 104 + QG1 VAL 104 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 65 - QG1 VAL 104 far 0 84 0 - 9.2-10.1 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 1.9-2.1 2.1=100 QD1 LEU 90 - QG1 VAL 104 far 0 61 0 - 3.4-3.8 QD2 LEU 90 - QG1 VAL 104 far 0 100 0 - 4.6-5.2 QG2 VAL 107 - QG1 VAL 104 far 0 73 0 - 7.6-7.9 QG2 VAL 117 - QG1 VAL 104 far 0 61 0 - 8.0-8.6 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 2.5-3.0 1691=100, 1689/2.1=75...(5) H GLU 98 + QG2 VAL 104 OK 49 61 90 89 3.4-3.8 3.0/10161=50...(6) H ASN 8 - QG2 VAL 104 far 0 70 0 - 6.9-7.5 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 2.2-2.4 3.2=100 HA ASP 31 - QG2 VAL 29 far 0 35 0 - 6.8-7.5 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 6 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 HB3 LYS 65 - QG2 VAL 104 far 0 84 0 - 8.1-9.0 HB3 GLU 52 - QG2 VAL 29 far 0 60 0 - 8.8-10.2 HB2 LYS 65 - QG2 VAL 104 far 0 87 0 - 9.1-9.9 HB3 GLU 41 - QG2 VAL 29 far 0 63 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6387 from cnoeabs.peaks (0.93, 0.88, 22.01 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 104 + QG2 VAL 104 OK 100 100 100 100 1.9-2.1 2.1=100 HG13 ILE 97 - QG2 VAL 104 far 0 99 0 - 4.5-5.0 HG3 LYS 53 - QG2 VAL 29 far 0 60 0 - 7.2-10.2 HG13 ILE 54 - QG2 VAL 29 far 0 35 0 - 8.4-8.8 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 2 assignments used, quality = 1.00: * HB2 ARG 105 + HA ARG 105 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 ARG 95 - HA ARG 105 far 0 61 0 - 9.6-11.6 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 3.0-3.0 3.0=100 HG2 ARG 105 + HA ARG 105 OK 90 90 100 100 3.6-3.9 4.0=100 HB ILE 97 - HA ARG 105 far 0 96 0 - 8.8-9.5 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 3.6-3.9 4.0=100 HB3 ARG 105 + HA ARG 105 OK 90 90 100 100 3.0-3.0 3.0=100 HB ILE 97 - HA ARG 105 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 6394 from cnoeabs.peaks (1.75, 4.92, 52.47 ppm; 5.21 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 105 + HA ARG 105 OK 100 100 100 100 2.4-3.2 4.0=100 HB3 LYS 94 - HA ARG 105 far 0 70 0 - 6.5-7.8 HB3 LEU 82 - HA ARG 105 far 0 73 0 - 7.3-8.1 HB2 LEU 80 - HA ARG 105 far 0 100 0 - 8.3-8.8 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 2.1-3.5 6438=100, 1.8/6430=71...(6) 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 3.1-3.7 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): 1 out of 2 assignments used, quality = 1.00: * HA ARG 105 + HB2 ARG 105 OK 100 100 100 100 2.4-2.7 3.0=100 HA LEU 82 - HB2 ARG 105 far 0 99 0 - 7.2-8.8 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 2 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 2.5-2.6 3.0=100 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 2 assignments used, quality = 1.00: * HG2 ARG 105 + HB2 ARG 105 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 ARG 105 + HB2 ARG 105 OK 90 90 100 100 1.8-1.8 1.8=100 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 3.0-3.0 3.0=100 HB3 LEU 82 - HB2 ARG 105 far 0 73 0 - 7.7-9.2 HB2 LEU 80 - HB2 ARG 105 far 0 100 0 - 8.3-9.5 HB3 LYS 94 - HB2 ARG 105 far 0 70 0 - 8.4-10.0 HD3 LYS 123 - HB2 ARG 105 far 0 99 0 - 8.5-10.8 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 2.1-3.2 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 2.4-2.6 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 3.0-3.0 3.0=100 HA LEU 82 - HB3 ARG 105 far 0 99 0 - 6.8-7.5 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 2 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 - 8.9-9.9 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 2.5-2.7 3.0=100 HB2 LEU 80 - HB3 ARG 105 far 0 100 0 - 7.2-8.1 HB3 LEU 82 - HB3 ARG 105 far 0 73 0 - 7.5-8.1 HB3 LYS 94 - HB3 ARG 105 far 0 70 0 - 8.2-9.9 HD3 LYS 123 - HB3 ARG 105 far 0 99 0 - 9.0-10.0 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 3.4-4.2 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 4.2-4.8 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 3.6-3.9 4.0=100 HA LEU 82 - HG2 ARG 105 far 0 99 0 - 8.3-9.7 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 2.5-2.6 3.0=93, 1694/4.9=17...(10) HD2 LYS 123 - HG2 ARG 105 far 0 81 0 - 7.2-10.2 HB3 ARG 118 - HG2 ARG 105 far 0 81 0 - 9.6-10.9 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 HD3 LYS 123 - HG2 ARG 105 far 0 99 0 - 7.3-10.0 HB2 LEU 80 - HG2 ARG 105 far 0 100 0 - 8.5-10.4 HB3 LEU 82 - HG2 ARG 105 far 0 73 0 - 9.0-10.3 HB3 LYS 94 - HG2 ARG 105 far 0 70 0 - 9.7-11.3 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 2.3-2.5 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 2.6-3.0 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 3.6-4.4 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 2.4-3.2 4.0=100 HA LEU 82 - HG3 ARG 105 far 0 99 0 - 7.5-9.6 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 3.0-3.0 3.0=100 HD2 LYS 123 - HG3 ARG 105 far 0 81 0 - 8.2-11.5 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 3 assignments used, quality = 1.00: * HB3 ARG 105 + HG3 ARG 105 OK 100 100 100 100 2.5-2.7 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 - 9.8-11.7 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 2.5-2.7 3.0=100 HB ILE 97 - HG3 ARG 105 far 0 100 0 - 9.8-11.7 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 2.6-3.0 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; 4.20 A increased from 3.95 A): 1 out of 2 assignments used, quality = 0.99: * HA ARG 105 + HD2 ARG 105 OK 99 100 100 99 3.4-4.2 6438/1.8=85, 669/7845=49...(6) HA LEU 82 - HD2 ARG 105 far 0 99 0 - 9.5-11.2 Violated in 1 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 2.2-3.5 3.8=100 HD2 LYS 123 - HD2 ARG 105 far 0 81 0 - 8.1-10.5 HB3 ARG 118 - HD2 ARG 105 far 0 81 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 6432 from cnoeabs.peaks (1.82, 3.52, 41.44 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.95: HG2 ARG 105 + HD2 ARG 105 OK 90 90 100 100 2.3-2.5 3.0=100 * HB3 ARG 105 + HD2 ARG 105 OK 50 100 50 100 3.4-4.2 3.8=100 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 2 assignments used, quality = 1.00: * HG2 ARG 105 + HD2 ARG 105 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 ARG 105 + HD2 ARG 105 OK 45 90 50 100 3.4-4.2 3.8=100 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 4 assignments used, quality = 1.00: * HG3 ARG 105 + HD2 ARG 105 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 123 - HD2 ARG 105 far 0 99 0 - 8.1-10.7 HB3 LEU 82 - HD2 ARG 105 far 0 73 0 - 9.7-11.5 HB3 LYS 94 - HD2 ARG 105 far 0 70 0 - 9.8-11.5 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 4.7-5.4 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 2.1-3.5 6396=87, 6430/1.8=65...(6) HA LEU 82 - HD3 ARG 105 far 0 99 0 - 9.2-10.5 Violated in 0 structures by 0.00 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 2.1-3.2 3.8=100 HD2 LYS 123 - HD3 ARG 105 far 0 81 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 6440 from cnoeabs.peaks (1.82, 3.34, 41.44 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + HD3 ARG 105 OK 100 100 100 100 3.4-3.9 3.8=100 HG2 ARG 105 + HD3 ARG 105 OK 90 90 100 100 2.6-3.0 3.0=100 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 2 assignments used, quality = 1.00: * HG2 ARG 105 + HD3 ARG 105 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 105 + HD3 ARG 105 OK 90 90 100 100 3.4-3.9 3.8=100 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 4 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 - 8.1-10.6 HD3 LYS 123 - HD3 ARG 105 far 0 99 0 - 8.7-11.4 HB3 LEU 82 - HD3 ARG 105 far 0 73 0 - 8.8-10.7 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): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + HA LYS 106 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 106 + HA LYS 106 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 LYS 94 - HA LYS 106 far 0 61 0 - 5.2-7.3 HB3 LEU 90 - HA LYS 106 far 0 98 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 6448 from cnoeabs.peaks (1.71, 5.58, 53.87 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + HA LYS 106 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LYS 106 + HA LYS 106 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 90 - HA LYS 106 far 0 96 0 - 5.8-6.4 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 2.3-2.9 3.9=100 HG LEU 80 - HA LYS 106 far 0 61 0 - 6.9-7.6 HG12 ILE 7 - HA LYS 106 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 6450 from cnoeabs.peaks (1.40, 5.58, 53.87 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 106 + HA LYS 106 OK 100 100 100 100 2.6-3.2 3.9=100 HB3 GLN 83 - HA LYS 106 far 0 65 0 - 6.0-6.3 QB ALA 113 - HA LYS 106 far 0 96 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 6451 from cnoeabs.peaks (1.56, 5.58, 53.87 ppm; 4.98 A increased from 4.69 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 106 + HA LYS 106 OK 100 100 100 100 4.0-4.9 5.3=84, ~1705=46...(16) HD3 LYS 106 + HA LYS 106 OK 100 100 100 100 4.5-4.9 5.3=84, ~1705=46...(16) 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 2.3-2.6 4.0=100 H LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.5-3.7 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 3.0-3.0 3.0=100 HA LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.4-2.7 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 3.0-3.0 2.9=100 HG2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-2.6 2.9=100 HG LEU 80 - HB2 LYS 106 far 0 61 0 - 9.0-10.0 HG LEU 80 - HB3 LYS 106 far 0 61 0 - 9.0-9.9 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 2.3-2.7 2.9=100 HG3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 GLN 83 - HB3 LYS 106 far 0 65 0 - 7.5-8.0 QB ALA 113 - HB3 LYS 106 far 0 95 0 - 8.0-8.9 QB ALA 113 - HB2 LYS 106 far 0 96 0 - 8.4-9.4 HB3 GLN 83 - HB2 LYS 106 far 0 65 0 - 8.5-9.0 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 4 assignments used, quality = 1.00: * HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.2-4.0 3.6=100 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 4 assignments used, quality = 1.00: * HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.2-4.0 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 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 2.0-3.4 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 3.4-4.3 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.2-3.8 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.1-4.6 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: HE2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.0-3.4 5.1=100 * HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 3.4-4.3 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.1-4.6 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.2-3.8 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 3.5-3.7 4.0=100 H LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.3-2.6 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 2.4-2.7 3.0=100 HA LYS 106 + HB2 LYS 106 OK 100 100 100 100 3.0-3.0 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 2.3-2.6 2.9=100 HG2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 3.0-3.0 2.9=100 HG LEU 80 - HB2 LYS 106 far 0 61 0 - 9.0-10.0 HG LEU 80 - HB3 LYS 106 far 0 61 0 - 9.0-9.9 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 3.0-3.0 2.9=100 HG3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.3-2.7 2.9=100 HB3 GLN 83 - HB3 LYS 106 far 0 65 0 - 7.5-8.0 QB ALA 113 - HB3 LYS 106 far 0 96 0 - 8.0-8.9 QB ALA 113 - HB2 LYS 106 far 0 95 0 - 8.4-9.4 HB3 GLN 83 - HB2 LYS 106 far 0 65 0 - 8.5-9.0 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 4 assignments used, quality = 1.00: * HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.2-4.0 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 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 4 assignments used, quality = 1.00: HD2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 * HD3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.2-4.0 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.3-3.9 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 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 2.2-3.8 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.1-4.6 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.0-3.4 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 3.4-4.3 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: HE2 LYS 106 + HB3 LYS 106 OK 100 100 100 100 2.2-3.8 5.1=100 * HE3 LYS 106 + HB3 LYS 106 OK 100 100 100 100 3.1-4.6 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 100 100 3.4-4.3 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 100 100 2.0-3.4 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 3.6-4.2 1704=100, 1705/1.8=94...(10) 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 2.3-2.9 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): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-2.6 2.9=100 HB3 LYS 94 - HG2 LYS 106 far 0 61 0 - 3.3-5.2 HB3 LEU 90 - HG2 LYS 106 far 0 98 0 - 4.7-5.1 Violated in 0 structures by 0.00 A. Peak 6478 from cnoeabs.peaks (1.71, 1.46, 24.00 ppm; 3.02 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-2.6 2.9=100 HB2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LEU 90 - HG2 LYS 106 far 0 96 0 - 4.7-5.1 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 - 7.5-8.7 QB ALA 113 - HG2 LYS 106 far 0 96 0 - 8.6-9.9 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 2 assignments used, quality = 1.00: * HD2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 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 2 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 2.4-3.0 3.0=100 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 2.3-3.8 3.6=100 HE3 LYS 106 + HG2 LYS 106 OK 75 100 75 100 2.5-4.2 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: HE2 LYS 106 + HG2 LYS 106 OK 100 100 100 100 2.3-3.8 3.6=100 * HE3 LYS 106 + HG2 LYS 106 OK 75 100 75 100 2.5-4.2 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 2.5-3.3 1705=100, 1704/1.8=87...(10) 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 2.6-3.2 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): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-2.7 2.9=100 HB3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 94 - HG3 LYS 106 far 0 61 0 - 3.7-5.4 HB3 LEU 90 - HG3 LYS 106 far 0 98 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 6488 from cnoeabs.peaks (1.71, 1.40, 24.00 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-2.7 2.9=100 HB3 LEU 90 - HG3 LYS 106 far 0 96 0 - 6.3-6.7 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 - 7.2-8.0 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 2.4-3.0 3.0=100 HD3 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.3-2.7 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 2.3-2.7 3.0=100 HD2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.4-3.0 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 2.2-3.7 3.6=100 HE3 LYS 106 + HG3 LYS 106 OK 70 100 70 100 2.6-4.2 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: HE2 LYS 106 + HG3 LYS 106 OK 100 100 100 100 2.2-3.7 3.6=100 * HE3 LYS 106 + HG3 LYS 106 OK 70 100 70 100 2.6-4.2 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 3.6-5.2 6.1=100 H LYS 106 + HD3 LYS 106 OK 100 100 100 100 3.6-5.6 6.1=100 Violated in 0 structures by 0.00 A. Peak 6497 from cnoeabs.peaks (1.72, 1.56, 29.23 ppm; 3.61 A increased from 3.04 A): 4 out of 8 assignments used, quality = 1.00: * HB2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 HB3 LYS 106 + HD3 LYS 106 OK 80 100 80 100 3.2-4.0 3.6=100 HB3 LYS 106 + HD2 LYS 106 OK 70 100 70 100 2.3-3.9 3.6=100 HB2 LYS 106 + HD3 LYS 106 OK 55 100 55 100 2.3-3.9 3.6=100 HB3 LYS 94 - HD3 LYS 106 poor 12 61 20 - 3.2-6.2 HB3 LYS 94 - HD2 LYS 106 far 0 61 0 - 4.1-6.8 HB3 LEU 90 - HD2 LYS 106 far 0 98 0 - 4.4-7.5 HB3 LEU 90 - HD3 LYS 106 far 0 98 0 - 4.9-7.6 Violated in 0 structures by 0.00 A. Peak 6498 from cnoeabs.peaks (1.71, 1.56, 29.23 ppm; 3.61 A increased from 3.04 A): 4 out of 6 assignments used, quality = 1.00: HB2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 HB3 LYS 106 + HD3 LYS 106 OK 80 100 80 100 3.2-4.0 3.6=100 * HB3 LYS 106 + HD2 LYS 106 OK 70 100 70 100 2.3-3.9 3.6=100 HB2 LYS 106 + HD3 LYS 106 OK 55 100 55 100 2.3-3.9 3.6=100 HB3 LEU 90 - HD2 LYS 106 far 0 96 0 - 4.4-7.5 HB3 LEU 90 - HD3 LYS 106 far 0 95 0 - 4.9-7.6 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 2.4-3.0 3.0=100 HG2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 80 - HD3 LYS 106 far 0 61 0 - 8.8-10.2 HG LEU 80 - HD2 LYS 106 far 0 61 0 - 9.0-10.7 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 5 assignments used, quality = 1.00: * HG3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 GLN 83 - HD2 LYS 106 far 0 65 0 - 8.9-10.8 HB3 GLN 83 - HD3 LYS 106 far 0 65 0 - 9.8-11.1 QB ALA 113 - HD2 LYS 106 far 0 96 0 - 9.8-11.7 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 2.5-3.0 3.0=100 HE3 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 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 2.3-3.0 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6507 from cnoeabs.peaks (1.72, 1.56, 29.23 ppm; 3.61 A increased from 3.04 A): 4 out of 8 assignments used, quality = 1.00: HB2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 HB3 LYS 106 + HD3 LYS 106 OK 80 100 80 100 3.2-4.0 3.6=100 HB3 LYS 106 + HD2 LYS 106 OK 70 100 70 100 2.3-3.9 3.6=100 * HB2 LYS 106 + HD3 LYS 106 OK 55 100 55 100 2.3-3.9 3.6=100 HB3 LYS 94 - HD3 LYS 106 poor 12 61 20 - 3.2-6.2 HB3 LYS 94 - HD2 LYS 106 far 0 61 0 - 4.1-6.8 HB3 LEU 90 - HD2 LYS 106 far 0 98 0 - 4.4-7.5 HB3 LEU 90 - HD3 LYS 106 far 0 98 0 - 4.9-7.6 Violated in 0 structures by 0.00 A. Peak 6508 from cnoeabs.peaks (1.71, 1.56, 29.23 ppm; 3.61 A increased from 3.04 A): 4 out of 6 assignments used, quality = 1.00: HB2 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.1-3.7 3.6=100 * HB3 LYS 106 + HD3 LYS 106 OK 80 100 80 100 3.2-4.0 3.6=100 HB3 LYS 106 + HD2 LYS 106 OK 70 100 70 100 2.3-3.9 3.6=100 HB2 LYS 106 + HD3 LYS 106 OK 55 100 55 100 2.3-3.9 3.6=100 HB3 LEU 90 - HD2 LYS 106 far 0 95 0 - 4.4-7.5 HB3 LEU 90 - HD3 LYS 106 far 0 96 0 - 4.9-7.6 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 2.4-3.0 3.0=100 HG LEU 80 - HD3 LYS 106 far 0 61 0 - 8.8-10.2 HG LEU 80 - HD2 LYS 106 far 0 61 0 - 9.0-10.7 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 5 assignments used, quality = 1.00: * HG3 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 LYS 106 + HD2 LYS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 83 - HD2 LYS 106 far 0 65 0 - 8.9-10.8 HB3 GLN 83 - HD3 LYS 106 far 0 65 0 - 9.8-11.1 QB ALA 113 - HD2 LYS 106 far 0 95 0 - 9.8-11.7 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 2.5-3.0 3.0=100 HE3 LYS 106 + HD3 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 + 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 2.3-3.0 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 100 100 2.5-3.0 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; 3.14 A increased from 2.64 A): 2 out of 16 assignments used, quality = 0.77: HB3 LYS 106 + HE2 LYS 106 OK 56 100 90 62 2.2-3.8 5.1=23, 2.9/6519=18...(9) * HB2 LYS 106 + HE2 LYS 106 OK 48 100 80 60 2.0-3.4 5.1=23, 2.9/6519=18...(9) HB3 LYS 106 - HE3 LYS 106 far 5 100 5 - 3.1-4.6 HB2 LYS 106 - HE3 LYS 106 far 0 100 0 - 3.4-4.3 HB3 LEU 90 - HE3 LYS 106 far 0 98 0 - 4.4-7.3 HD3 LYS 44 - HE3 LYS 40 far 0 44 0 - 4.6-12.8 HB3 LYS 94 - HE3 LYS 106 far 0 61 0 - 4.7-6.4 HB3 LEU 90 - HE2 LYS 106 far 0 98 0 - 4.9-7.7 HB3 LYS 94 - HE2 LYS 106 far 0 61 0 - 5.5-6.7 HD3 LYS 39 - HE3 LYS 40 far 0 48 0 - 5.6-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 34 0 - 6.0-9.7 HD2 LYS 44 - HE3 LYS 40 far 0 39 0 - 6.3-12.3 HD2 LYS 39 - HE3 LYS 40 far 0 50 0 - 7.1-11.7 HB2 LEU 114 - HE3 LYS 20 far 0 38 0 - 9.3-13.6 HG12 ILE 15 - HE3 LYS 20 far 0 62 0 - 9.7-13.9 HG12 ILE 15 - HE2 LYS 20 far 0 62 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 6518 from cnoeabs.peaks (1.71, 2.95, 41.78 ppm; 3.14 A increased from 2.64 A): 2 out of 13 assignments used, quality = 0.77: * HB3 LYS 106 + HE2 LYS 106 OK 56 100 90 62 2.2-3.8 5.1=23, 2.9/6519=18...(9) HB2 LYS 106 + HE2 LYS 106 OK 48 100 80 60 2.0-3.4 5.1=23, 2.9/6519=18...(9) HB3 LYS 106 - HE3 LYS 106 far 5 100 5 - 3.1-4.6 HB2 LYS 106 - HE3 LYS 106 far 0 100 0 - 3.4-4.3 HB3 LEU 90 - HE3 LYS 106 far 0 95 0 - 4.4-7.3 HD3 LYS 44 - HE3 LYS 40 far 0 48 0 - 4.6-12.8 HB3 LEU 90 - HE2 LYS 106 far 0 96 0 - 4.9-7.7 HD3 LYS 39 - HE3 LYS 40 far 0 52 0 - 5.6-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 39 0 - 6.0-9.7 HD2 LYS 44 - HE3 LYS 40 far 0 44 0 - 6.3-12.3 HD2 LYS 39 - HE3 LYS 40 far 0 54 0 - 7.1-11.7 HG12 ILE 15 - HE3 LYS 20 far 0 57 0 - 9.7-13.9 HG12 ILE 15 - HE2 LYS 20 far 0 57 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 6519 from cnoeabs.peaks (1.46, 2.95, 41.78 ppm; 3.26 A): 3 out of 8 assignments used, quality = 0.76: * HG2 LYS 106 + HE2 LYS 106 OK 43 100 45 95 2.3-3.8 3.6=74, 2.9/6517=29...(12) HG3 LYS 20 + HE2 LYS 20 OK 37 46 80 98 2.4-3.7 3.9=59, ~3069=19...(71) HG3 LYS 20 + HE3 LYS 20 OK 34 46 75 98 2.1-3.7 3.9=59, 3080/1.8=22...(71) HG2 LYS 106 - HE3 LYS 106 far 15 100 15 - 2.5-4.2 HG2 LYS 39 - HE3 LYS 40 far 0 62 0 - 6.0-10.9 HG LEU 80 - HE2 LYS 106 far 0 61 0 - 9.2-11.0 HG LEU 80 - HE3 LYS 106 far 0 61 0 - 9.7-11.9 HB3 LEU 38 - HE3 LYS 40 far 0 63 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 6520 from cnoeabs.peaks (1.40, 2.95, 41.78 ppm; 3.63 A increased from 3.06 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 106 + HE2 LYS 106 OK 100 100 100 100 2.2-3.7 3.6=100 HG3 LYS 106 + HE3 LYS 106 OK 65 100 65 100 2.6-4.2 3.6=100 HG3 LYS 16 - HE2 LYS 20 far 0 69 0 - 5.4-10.3 HG3 LYS 16 - HE3 LYS 20 far 0 69 0 - 5.5-10.2 HB3 LEU 114 - HE3 LYS 20 far 0 70 0 - 8.2-12.0 HB3 LEU 114 - HE2 LYS 20 far 0 70 0 - 9.3-11.9 HB3 GLN 83 - HE2 LYS 106 far 0 65 0 - 9.4-11.0 QB ALA 113 - HE2 LYS 106 far 0 96 0 - 9.9-11.0 HB3 GLN 83 - HE3 LYS 106 far 0 65 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 6521 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 5 assignments used, quality = 1.00: * HD2 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.4-3.0 3.0=94, 3.6/6517=19...(6) HD3 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.5-3.0 3.0=94, 3.6/6517=19...(6) HD2 LYS 106 + HE3 LYS 106 OK 95 100 100 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) HD3 LYS 106 + HE3 LYS 106 OK 91 100 95 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) QB ALA 46 - HE3 LYS 40 far 0 50 0 - 8.4-12.8 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 5 assignments used, quality = 1.00: * HD3 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.5-3.0 3.0=94, 3.6/6517=19...(6) HD2 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.4-3.0 3.0=94, 3.6/6517=19...(6) HD2 LYS 106 + HE3 LYS 106 OK 95 100 100 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) HD3 LYS 106 + HE3 LYS 106 OK 91 100 95 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) QB ALA 46 - HE3 LYS 40 far 0 48 0 - 8.4-12.8 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; 3.14 A increased from 2.64 A): 2 out of 16 assignments used, quality = 0.77: HB3 LYS 106 + HE2 LYS 106 OK 56 100 90 62 2.2-3.8 5.1=23, 2.9/6519=18...(9) HB2 LYS 106 + HE2 LYS 106 OK 48 100 80 60 2.0-3.4 5.1=23, 2.9/6519=18...(9) HB3 LYS 106 - HE3 LYS 106 far 5 100 5 - 3.1-4.6 ! HB2 LYS 106 - HE3 LYS 106 far 0 100 0 - 3.4-4.3 HB3 LEU 90 - HE3 LYS 106 far 0 98 0 - 4.4-7.3 HD3 LYS 44 - HE3 LYS 40 far 0 48 0 - 4.6-12.8 HB3 LYS 94 - HE3 LYS 106 far 0 61 0 - 4.7-6.4 HB3 LEU 90 - HE2 LYS 106 far 0 98 0 - 4.9-7.7 HB3 LYS 94 - HE2 LYS 106 far 0 61 0 - 5.5-6.7 HD3 LYS 39 - HE3 LYS 40 far 0 53 0 - 5.6-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 37 0 - 6.0-9.7 HD2 LYS 44 - HE3 LYS 40 far 0 43 0 - 6.3-12.3 HD2 LYS 39 - HE3 LYS 40 far 0 55 0 - 7.1-11.7 HB2 LEU 114 - HE3 LYS 20 far 0 41 0 - 9.3-13.6 HG12 ILE 15 - HE3 LYS 20 far 0 66 0 - 9.7-13.9 HG12 ILE 15 - HE2 LYS 20 far 0 66 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 6528 from cnoeabs.peaks (1.71, 2.95, 41.78 ppm; 3.14 A increased from 2.64 A): 2 out of 13 assignments used, quality = 0.77: HB3 LYS 106 + HE2 LYS 106 OK 56 100 90 62 2.2-3.8 5.1=23, 2.9/6519=18...(9) HB2 LYS 106 + HE2 LYS 106 OK 48 100 80 60 2.0-3.4 5.1=23, 2.9/6519=18...(9) ! HB3 LYS 106 - HE3 LYS 106 far 5 100 5 - 3.1-4.6 HB2 LYS 106 - HE3 LYS 106 far 0 100 0 - 3.4-4.3 HB3 LEU 90 - HE3 LYS 106 far 0 96 0 - 4.4-7.3 HD3 LYS 44 - HE3 LYS 40 far 0 53 0 - 4.6-12.8 HB3 LEU 90 - HE2 LYS 106 far 0 95 0 - 4.9-7.7 HD3 LYS 39 - HE3 LYS 40 far 0 57 0 - 5.6-11.2 HG3 LYS 39 - HE3 LYS 40 far 0 43 0 - 6.0-9.7 HD2 LYS 44 - HE3 LYS 40 far 0 48 0 - 6.3-12.3 HD2 LYS 39 - HE3 LYS 40 far 0 59 0 - 7.1-11.7 HG12 ILE 15 - HE3 LYS 20 far 0 62 0 - 9.7-13.9 HG12 ILE 15 - HE2 LYS 20 far 0 62 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 6529 from cnoeabs.peaks (1.46, 2.95, 41.78 ppm; 3.26 A): 3 out of 8 assignments used, quality = 0.78: HG2 LYS 106 + HE2 LYS 106 OK 43 100 45 95 2.3-3.8 3.6=74, 2.9/6527=29...(12) HG3 LYS 20 + HE2 LYS 20 OK 39 50 80 98 2.4-3.7 3.9=59, ~3069=19...(71) HG3 LYS 20 + HE3 LYS 20 OK 37 50 75 98 2.1-3.7 3.9=59, 3080/1.8=22...(71) ! HG2 LYS 106 - HE3 LYS 106 far 15 100 15 - 2.5-4.2 HG2 LYS 39 - HE3 LYS 40 far 0 67 0 - 6.0-10.9 HG LEU 80 - HE2 LYS 106 far 0 61 0 - 9.2-11.0 HG LEU 80 - HE3 LYS 106 far 0 61 0 - 9.7-11.9 HB3 LEU 38 - HE3 LYS 40 far 0 68 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 6530 from cnoeabs.peaks (1.40, 2.95, 41.78 ppm; 3.63 A increased from 3.06 A): 2 out of 9 assignments used, quality = 1.00: HG3 LYS 106 + HE2 LYS 106 OK 100 100 100 100 2.2-3.7 3.6=100 * HG3 LYS 106 + HE3 LYS 106 OK 65 100 65 100 2.6-4.2 3.6=100 HG3 LYS 16 - HE2 LYS 20 far 0 74 0 - 5.4-10.3 HG3 LYS 16 - HE3 LYS 20 far 0 74 0 - 5.5-10.2 HB3 LEU 114 - HE3 LYS 20 far 0 75 0 - 8.2-12.0 HB3 LEU 114 - HE2 LYS 20 far 0 75 0 - 9.3-11.9 HB3 GLN 83 - HE2 LYS 106 far 0 65 0 - 9.4-11.0 QB ALA 113 - HE2 LYS 106 far 0 95 0 - 9.9-11.0 HB3 GLN 83 - HE3 LYS 106 far 0 65 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 6531 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 5 assignments used, quality = 1.00: HD2 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.4-3.0 3.0=94, 3.6/6527=19...(6) HD3 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.5-3.0 3.0=94, 3.6/6527=19...(6) * HD2 LYS 106 + HE3 LYS 106 OK 95 100 100 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) HD3 LYS 106 + HE3 LYS 106 OK 91 100 95 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) QB ALA 46 - HE3 LYS 40 far 0 55 0 - 8.4-12.8 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 5 assignments used, quality = 1.00: HD3 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.5-3.0 3.0=94, 3.6/6527=19...(6) HD2 LYS 106 + HE2 LYS 106 OK 97 100 100 97 2.4-3.0 3.0=94, 3.6/6527=19...(6) HD2 LYS 106 + HE3 LYS 106 OK 95 100 100 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) * HD3 LYS 106 + HE3 LYS 106 OK 91 100 95 95 2.3-3.0 3.0=94, ~6519=8, ~6529=8...(7) QB ALA 46 - HE3 LYS 40 far 0 53 0 - 8.4-12.8 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 2.9-2.9 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 2.4-2.5 3.0=100 HG3 GLN 83 - HA VAL 107 far 0 100 0 - 4.9-5.9 HB2 GLU 111 - HA VAL 107 far 0 70 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 6538 from cnoeabs.peaks (0.87, 4.62, 60.22 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 107 + HA VAL 107 OK 100 100 100 100 2.2-2.5 3.2=100 QD2 LEU 90 - HA VAL 107 far 0 81 0 - 4.8-5.2 QD1 LEU 14 - HA VAL 107 far 0 94 0 - 7.3-8.0 QG2 VAL 117 - HA VAL 107 far 0 100 0 - 8.1-9.0 QG2 THR 9 - HA VAL 107 far 0 99 0 - 9.2-9.6 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 6 assignments used, quality = 1.00: * QG1 VAL 107 + HA VAL 107 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 ILE 7 - HA VAL 107 far 0 61 0 - 7.8-8.5 QD2 LEU 14 - HA VAL 107 far 0 100 0 - 7.9-8.3 QD1 LEU 82 - HA VAL 107 far 0 77 0 - 8.3-8.7 QD1 LEU 80 - HA VAL 107 far 0 87 0 - 9.7-10.5 QD1 ILE 7 - HA VAL 107 far 0 99 0 - 9.8-10.4 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 3.3-3.6 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 2.4-2.5 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 18 assignments used, quality = 1.00: * QG2 VAL 107 + HB VAL 107 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 22 - HG3 GLU 21 far 2 49 5 - 3.4-6.4 QG2 VAL 22 - HG2 GLU 21 far 0 57 0 - 4.7-6.1 QG2 VAL 117 - HG3 GLU 21 far 0 69 0 - 5.0-7.1 QG2 VAL 117 - HG2 GLU 21 far 0 78 0 - 5.4-7.3 QD2 LEU 90 - HB VAL 107 far 0 81 0 - 5.6-6.0 QD1 LEU 14 - HG3 GLU 21 far 0 61 0 - 5.7-7.6 QD1 LEU 14 - HG2 GLU 21 far 0 70 0 - 5.9-7.1 QG2 VAL 117 - HB VAL 107 far 0 100 0 - 6.0-7.0 QD1 LEU 14 - HB VAL 107 far 0 94 0 - 6.3-6.9 QG2 THR 9 - HB VAL 107 far 0 99 0 - 8.0-8.5 QG2 THR 9 - HG2 GLU 21 far 0 76 0 - 8.4-10.4 HG13 ILE 57 - HG3 GLU 21 far 0 61 0 - 8.5-12.1 QG2 THR 9 - HG3 GLU 21 far 0 67 0 - 8.6-10.9 QG2 VAL 107 - HG3 GLU 21 far 0 70 0 - 8.8-11.0 HG13 ILE 57 - HG2 GLU 21 far 0 70 0 - 9.2-12.0 QG2 VAL 107 - HG2 GLU 21 far 0 79 0 - 9.2-10.9 QG2 VAL 104 - HB VAL 107 far 0 73 0 - 9.3-9.8 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 ILE 7 - HG3 GLU 21 far 0 68 0 - 5.9-8.6 QG2 ILE 7 - HB VAL 107 far 0 61 0 - 6.1-6.9 QD1 ILE 7 - HG2 GLU 21 far 0 77 0 - 6.5-8.6 QD2 LEU 14 - HB VAL 107 far 0 100 0 - 7.4-7.8 QG2 ILE 7 - HG3 GLU 21 far 0 36 0 - 7.5-10.0 QG2 ILE 7 - HG2 GLU 21 far 0 42 0 - 7.7-9.7 QD1 ILE 7 - HB VAL 107 far 0 99 0 - 7.8-8.5 QD1 LEU 82 - HB VAL 107 far 0 77 0 - 7.8-8.3 QD2 LEU 14 - HG3 GLU 21 far 0 70 0 - 8.0-9.9 QD2 LEU 14 - HG2 GLU 21 far 0 79 0 - 8.3-9.3 QD1 LEU 80 - HB VAL 107 far 0 87 0 - 8.5-9.2 QG1 VAL 107 - HG3 GLU 21 far 0 70 0 - 9.4-11.6 QD1 ILE 15 - HG2 GLU 21 far 0 79 0 - 9.6-12.0 QG1 VAL 107 - HG2 GLU 21 far 0 79 0 - 9.7-11.4 QD1 ILE 15 - HG3 GLU 21 far 0 70 0 - 9.7-11.8 QD2 LEU 80 - HB VAL 107 far 0 84 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 6545 from cnoeabs.peaks (8.55, 0.87, 20.76 ppm; 4.10 A increased from 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + QG2 VAL 107 OK 100 100 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 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 2.2-2.5 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 68 100 75 91 2.3-3.4 10012=30, 6552/2.1=29...(14) HB2 GLU 111 - QG2 VAL 107 far 0 70 0 - 5.5-7.0 HB2 GLU 119 - QG2 VAL 107 far 0 100 0 - 8.3-9.2 HG3 GLU 21 - QG2 VAL 107 far 0 87 0 - 8.8-11.0 HG2 GLU 21 - QG2 VAL 107 far 0 92 0 - 9.2-10.9 HB3 GLU 119 - QG2 VAL 107 far 0 100 0 - 9.5-10.3 HB2 GLU 21 - QG2 VAL 107 far 0 100 0 - 9.8-10.6 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 - 4.8-5.1 QG2 ILE 7 - QG2 VAL 107 far 0 61 0 - 5.4-5.9 QD1 ILE 7 - QG2 VAL 107 far 0 99 0 - 6.8-7.4 QD1 LEU 82 - QG2 VAL 107 far 0 77 0 - 7.9-8.1 QD1 ILE 15 - QG2 VAL 107 far 0 100 0 - 8.1-10.0 QD1 LEU 80 - QG2 VAL 107 far 0 87 0 - 8.4-8.8 QD2 LEU 80 - QG2 VAL 107 far 0 84 0 - 9.7-9.9 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 2.1-2.5 1714=100, 1712/2.1=70...(7) 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 3.2-3.2 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 7 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 95 100 100 95 1.9-2.7 1.8/11020=42...(15) HB2 GLU 111 - QG1 VAL 107 far 0 70 0 - 7.8-8.9 HB2 GLU 119 - QG1 VAL 107 far 0 100 0 - 8.6-9.7 HG3 GLU 21 - QG1 VAL 107 far 0 87 0 - 9.4-11.6 HG2 GLU 21 - QG1 VAL 107 far 0 92 0 - 9.7-11.4 HB3 GLU 119 - QG1 VAL 107 far 0 100 0 - 9.9-10.6 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 8 assignments used, quality = 1.00: * QG2 VAL 107 + QG1 VAL 107 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 90 - QG1 VAL 107 far 0 81 0 - 4.0-4.4 QD1 LEU 14 - QG1 VAL 107 far 0 94 0 - 4.1-5.0 QG2 VAL 117 - QG1 VAL 107 far 0 100 0 - 4.9-5.4 QG2 THR 9 - QG1 VAL 107 far 0 99 0 - 5.2-5.5 QG2 VAL 104 - QG1 VAL 107 far 0 73 0 - 7.4-8.0 HG13 ILE 57 - QG1 VAL 107 far 0 94 0 - 9.1-9.8 QG2 VAL 22 - QG1 VAL 107 far 0 81 0 - 9.5-10.5 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 2.4-2.5 3.0=100 HA LEU 90 - HA THR 108 far 0 84 0 - 9.2-9.8 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 2.2-2.5 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 3.7-3.8 1717=99, 1718/2.1=74...(4) H GLN 85 - HB THR 108 far 0 84 0 - 5.1-5.7 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 2.4-2.5 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): 1 out of 3 assignments used, quality = 1.00: * H THR 108 + QG2 THR 108 OK 100 100 100 100 2.4-3.0 1718=100, 6559/2.1=70...(5) H GLN 85 - QG2 THR 108 far 0 84 0 - 4.1-5.0 H LYS 94 - QG2 THR 108 far 0 100 0 - 9.5-10.1 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 2.2-2.5 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 - 7.0-7.6 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 2.6-3.0 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 2.4-3.0 3.0=100 HB3 ASN 11 - HA ASP 109 far 0 77 0 - 8.1-9.5 HG3 GLU 37 - HA ARG 30 far 0 99 0 - 8.9-10.4 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 2.2-2.7 1721=100, 1722/1.8=76...(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 2.6-3.0 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 2.8-3.6 1722=100, 1721/1.8=85...(9) 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 2.4-3.0 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 2.8-2.8 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 2.3-2.6 3.0=100 HG3 GLN 85 - HA ASP 110 far 0 90 0 - 8.2-12.4 HG2 GLN 85 - HA ASP 110 far 0 94 0 - 8.3-11.8 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 1 assignment used, quality = 1.00: * HB3 ASP 110 + HA ASP 110 OK 100 100 100 100 2.4-3.0 3.0=100 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 2.4-3.6 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 2.3-2.6 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 2.2-2.8 1726=100, 1725/1.8=78...(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 2.4-3.0 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 - 8.1-13.7 HG2 GLN 85 - HB3 ASP 110 far 0 94 0 - 8.4-13.4 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 - 5.6-6.1 HB2 GLU 112 - HA GLU 111 far 0 77 0 - 5.7-6.6 HG3 GLU 21 - HA GLU 111 far 0 99 0 - 6.3-9.1 HG2 GLU 21 - HA GLU 111 far 0 97 0 - 7.3-8.1 HG3 GLN 83 - HA GLU 111 far 0 65 0 - 8.3-8.8 HB2 GLU 21 - HA GLU 111 far 0 70 0 - 8.4-9.1 HB VAL 107 - HA GLU 111 far 0 70 0 - 9.0-9.3 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 2.5-3.7 3.9=85, 6609/2.9=52...(17) HG3 GLU 111 + HA GLU 111 OK 46 65 70 99 2.2-3.9 3.9=85, ~6609=33...(17) 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 = 0.95: * HG3 GLU 111 + HA GLU 111 OK 85 100 85 100 2.2-3.9 3.9=90, 6618/3.0=35...(18) HG2 GLU 111 + HA GLU 111 OK 65 65 100 100 2.5-3.7 3.9=90, 5018/3.0=52...(17) 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 = 1.00: * H GLU 111 + HB2 GLU 111 OK 100 100 100 100 2.2-2.7 1729=100, 1730/1.8=66...(9) Violated in 0 structures by 0.00 A. Peak 6598 from cnoeabs.peaks (3.99, 2.10, 28.50 ppm; 3.56 A): 1 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 far 0 94 0 - 4.2-5.6 HA LEU 14 - HB2 GLU 111 far 0 100 0 - 8.4-9.7 HA LYS 17 - HB2 GLU 111 far 0 99 0 - 9.7-11.7 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 2.3-2.6 3.0=100 HG3 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 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 2.3-3.0 3.0=100 HG2 GLU 111 + HB2 GLU 111 OK 65 65 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 6603 from cnoeabs.peaks (8.21, 2.02, 28.50 ppm; 3.65 A increased from 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 111 + HB3 GLU 111 OK 100 100 100 100 3.5-3.6 1730=100, 1729/1.8=83...(7) Violated in 0 structures by 0.00 A. Peak 6604 from cnoeabs.peaks (3.99, 2.02, 28.50 ppm; 3.55 A): 1 out of 3 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 far 0 94 0 - 4.1-4.6 HA LEU 14 - HB3 GLU 111 far 0 100 0 - 8.9-9.9 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 - 5.0-6.5 HB3 GLU 112 - HB3 GLU 111 far 0 73 0 - 5.5-6.2 HG3 GLU 21 - HB3 GLU 111 far 0 99 0 - 7.5-10.8 HG2 GLU 21 - HB3 GLU 111 far 0 97 0 - 8.4-9.9 HB VAL 107 - HB3 GLU 111 far 0 70 0 - 9.3-10.1 HB2 GLU 21 - HB3 GLU 111 far 0 70 0 - 9.7-10.6 HG3 GLN 83 - HB3 GLU 111 far 0 65 0 - 9.7-10.4 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 3.0-3.0 3.0=100 HG3 GLU 111 + HB3 GLU 111 OK 65 65 100 100 2.3-2.6 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 2.3-2.6 3.0=100 HG2 GLU 111 + HB3 GLU 111 OK 65 65 100 100 3.0-3.0 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): 1 out of 5 assignments used, quality = 0.99: * H GLU 111 + HG2 GLU 111 OK 99 100 100 99 1.9-3.1 1731=74, 1729/3.0=68...(8) H ASP 84 - HG2 GLU 87 far 0 83 0 - 6.1-6.8 H GLU 89 - HG3 GLU 87 far 0 83 0 - 6.3-6.5 H GLU 89 - HG2 GLU 87 far 0 83 0 - 6.6-6.8 H ASP 84 - HG3 GLU 87 far 0 83 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 6610 from cnoeabs.peaks (3.99, 2.29, 36.01 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HG2 GLU 111 OK 100 100 100 100 2.5-3.7 3.9=100 HA GLU 112 - HG2 GLU 111 far 0 94 0 - 4.2-6.7 HA LEU 14 - HG2 GLU 111 far 0 100 0 - 7.9-9.7 HA LYS 17 - HG2 GLU 111 far 0 99 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 6611 from cnoeabs.peaks (2.10, 2.29, 36.01 ppm; 2.40 A): 2 out of 14 assignments used, quality = 0.87: HB2 GLU 87 + HG3 GLU 87 OK 81 87 100 93 2.3-2.4 5707=66, ~5714=26...(12) * HB2 GLU 111 + HG2 GLU 111 OK 29 100 40 73 2.3-2.6 3.0=51, 1729/6609=19...(6) HB3 GLU 69 - HG2 GLU 69 far 3 52 5 - 2.5-3.0 HB3 GLU 47 - HG2 GLU 47 far 0 44 0 - 2.6-2.7 HB2 GLU 87 - HG2 GLU 87 far 0 87 0 - 3.0-3.0 HB2 GLU 112 - HG2 GLU 111 far 0 77 0 - 3.7-8.2 HB3 GLU 112 - HG2 GLU 111 far 0 73 0 - 4.4-7.5 HB3 GLU 66 - HG2 GLU 69 far 0 59 0 - 5.7-6.7 HG3 GLU 21 - HG2 GLU 111 far 0 99 0 - 8.1-11.9 HG3 GLN 83 - HG2 GLU 111 far 0 65 0 - 8.4-10.4 HB VAL 107 - HG2 GLU 111 far 0 70 0 - 8.5-11.3 HG2 GLU 21 - HG2 GLU 111 far 0 97 0 - 8.8-11.7 HB VAL 107 - HG2 GLU 87 far 0 57 0 - 9.0-10.0 HG3 GLN 83 - HG2 GLU 87 far 0 53 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 6612 from cnoeabs.peaks (2.02, 2.29, 36.01 ppm; 2.63 A): 1 out of 12 assignments used, quality = 0.53: HB3 GLU 87 + HG2 GLU 87 OK 53 57 100 94 2.5-2.6 3.0=67, ~5708=32...(11) ! HB3 GLU 111 - HG2 GLU 111 far 0 100 0 - 3.0-3.0 HB3 GLU 87 - HG3 GLU 87 far 0 57 0 - 3.0-3.0 HB2 GLU 66 - HG2 GLU 69 far 0 36 0 - 5.3-5.9 HB2 GLU 48 - HG2 GLU 47 far 0 32 0 - 5.9-8.1 HB3 GLU 48 - HG2 GLU 47 far 0 32 0 - 6.3-8.2 HB3 GLN 85 - HG2 GLU 87 far 0 57 0 - 7.0-7.7 HB3 GLN 85 - HG3 GLU 87 far 0 57 0 - 7.1-8.1 HB2 GLU 89 - HG2 GLU 87 far 0 57 0 - 7.9-9.8 HB2 GLU 89 - HG3 GLU 87 far 0 57 0 - 8.0-9.8 HB3 GLU 89 - HG3 GLU 87 far 0 57 0 - 8.6-9.7 HB3 GLU 89 - HG2 GLU 87 far 0 57 0 - 8.8-9.6 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): 2 out of 4 assignments used, quality = 0.95: H GLU 89 + HG2 GLU 89 OK 88 89 100 99 2.2-3.5 1588=70, 5769/1.8=69...(12) * H GLU 111 + HG3 GLU 111 OK 59 100 60 99 3.1-4.1 1729/3.0=64, 1730/3.0=58...(8) H GLU 89 - HG3 GLU 92 far 0 93 0 - 5.0-5.9 H ASP 84 - HG2 GLU 89 far 0 89 0 - 7.4-11.2 Violated in 0 structures by 0.00 A. Peak 6616 from cnoeabs.peaks (3.99, 2.27, 36.01 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 111 + HG3 GLU 111 OK 100 100 100 100 2.2-3.9 3.9=100 HA GLU 112 + HG3 GLU 111 OK 25 94 30 88 3.3-6.7 ~7872=33, ~7871=28...(8) HA LEU 14 - HG3 GLU 111 far 0 100 0 - 7.8-10.6 HA LYS 17 - HG3 GLU 111 far 0 99 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. Peak 6617 from cnoeabs.peaks (2.10, 2.27, 36.01 ppm; 2.78 A increased from 2.47 A): 2 out of 17 assignments used, quality = 0.41: HB2 GLU 103 + HG2 GLU 103 OK 25 32 90 85 2.3-3.0 3.0=81, 1683/4.8=14, 4.7/661=10 * HB2 GLU 111 + HG3 GLU 111 OK 22 100 25 89 2.3-3.0 3.0=79, 3.0/6596=17...(6) HB3 GLU 69 - HG2 GLU 69 far 4 89 5 - 2.5-3.0 HB3 GLU 92 - HG3 GLU 92 far 0 93 0 - 3.0-3.0 HB2 GLU 112 - HG3 GLU 111 far 0 77 0 - 3.4-8.4 HB3 GLU 112 - HG3 GLU 111 far 0 73 0 - 4.4-7.8 HB3 GLU 66 - HG2 GLU 69 far 0 96 0 - 5.7-6.7 HB3 GLU 92 - HG2 GLU 89 far 0 89 0 - 6.1-8.4 HB2 GLU 119 - HG2 GLU 103 far 0 22 0 - 6.5-11.1 HB2 GLU 87 - HG2 GLU 89 far 0 93 0 - 6.6-8.8 HB3 GLU 119 - HG2 GLU 103 far 0 27 0 - 6.8-10.7 HG3 GLU 21 - HG3 GLU 111 far 0 99 0 - 6.9-10.5 HG2 GLU 21 - HG3 GLU 111 far 0 97 0 - 7.7-11.4 HB2 GLU 87 - HG3 GLU 92 far 0 97 0 - 7.9-9.5 HB VAL 107 - HG3 GLU 111 far 0 70 0 - 8.6-11.9 HB2 GLU 21 - HG3 GLU 111 far 0 70 0 - 9.2-12.2 HG3 GLN 83 - HG3 GLU 111 far 0 65 0 - 9.3-11.2 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 = 0.95: * HB3 GLU 111 + HG3 GLU 111 OK 81 100 100 81 2.3-2.6 3.0=68, 3.0/6596=15...(6) HB3 GLU 89 + HG2 GLU 89 OK 59 62 100 95 2.3-2.6 3.0=68, ~5762=32...(16) HB2 GLU 89 + HG2 GLU 89 OK 35 62 60 95 2.3-3.0 3.0=68, 5762/1.8=38...(16) HB3 GLU 89 - HG3 GLU 92 far 0 66 0 - 4.5-6.6 HB2 GLU 66 - HG2 GLU 69 far 0 66 0 - 5.3-5.9 HB2 GLU 89 - HG3 GLU 92 far 0 66 0 - 5.4-7.1 HB3 GLN 85 - HG2 GLU 89 far 0 62 0 - 6.7-9.8 HB3 GLU 87 - HG2 GLU 89 far 0 62 0 - 6.9-9.6 HB3 GLU 87 - HG3 GLU 92 far 0 66 0 - 8.2-9.3 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 2.8-2.9 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): 1 out of 4 assignments used, quality = 0.98: * HB2 GLU 112 + HA GLU 112 OK 98 100 100 98 2.3-2.7 3.0=91, 3.0/6646=32...(15) HB3 GLU 112 - HA GLU 112 far 10 100 10 - 3.0-3.0 HB2 GLU 111 - HA GLU 112 far 0 77 0 - 4.2-5.6 HG2 GLU 119 - HA GLU 112 far 0 96 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 6624 from cnoeabs.peaks (2.08, 4.00, 58.75 ppm; 2.88 A): 1 out of 4 assignments used, quality = 0.98: HB2 GLU 112 + HA GLU 112 OK 98 100 100 98 2.3-2.7 3.0=91, 3.0/6646=32...(15) ! HB3 GLU 112 - HA GLU 112 far 10 100 10 - 3.0-3.0 HB2 GLU 111 - HA GLU 112 far 0 73 0 - 4.2-5.6 HG2 GLU 119 - HA GLU 112 far 0 97 0 - 7.2-8.9 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 = 0.97: HG3 GLU 112 + HA GLU 112 OK 94 100 95 99 2.4-3.9 6640=78, 3.0/6623=65...(21) * HG2 GLU 112 + HA GLU 112 OK 45 100 45 99 2.8-3.8 3.0/6624=65, 1.8/6646=63...(19) HG2 GLN 83 - HA GLU 112 far 0 100 0 - 9.1-9.7 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 = 0.97: * HG3 GLU 112 + HA GLU 112 OK 94 100 95 99 2.4-3.9 6646=78, 3.0/6623=65...(21) HG2 GLU 112 + HA GLU 112 OK 45 100 45 99 2.8-3.8 3.0/6624=65, 1.8/6646=63...(19) HG2 GLN 83 - HA GLU 112 far 0 100 0 - 9.1-9.7 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 + HB3 GLU 112 OK 100 100 100 100 2.2-2.9 4.0=72, 709/711=62...(17) * H GLU 112 + HB2 GLU 112 OK 99 100 100 99 2.4-3.6 4.0=72, 3.0/6623=69...(13) 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 6 assignments used, quality = 1.00: * HA GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-2.7 3.0=100 HA GLU 112 + HB3 GLU 112 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 111 - HB3 GLU 112 far 0 94 0 - 5.6-6.1 HA GLU 111 - HB2 GLU 112 far 0 94 0 - 5.7-6.6 HA LEU 14 - HB3 GLU 112 far 0 87 0 - 9.1-9.6 HA LEU 14 - HB2 GLU 112 far 0 87 0 - 9.8-10.9 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 2.5-3.0 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 2.3-2.6 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 6.3-7.1 HG3 GLN 100 - HB3 GLU 69 far 0 74 0 - 7.1-9.0 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 7.1-8.7 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 2.5-3.0 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.3-2.6 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 6.3-7.1 HG3 GLN 100 - HB3 GLU 69 far 0 77 0 - 7.1-9.0 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 7.1-8.7 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 + HB3 GLU 112 OK 100 100 100 100 2.2-2.9 4.0=72, 709/712=62...(17) H GLU 112 + HB2 GLU 112 OK 99 100 100 99 2.4-3.6 4.0=72, 3.0/6624=69...(13) H GLU 89 - HB3 GLU 91 far 0 30 0 - 5.5-5.9 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 6 assignments used, quality = 1.00: * HA GLU 112 + HB3 GLU 112 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.3-2.7 3.0=100 HA GLU 111 - HB3 GLU 112 far 0 94 0 - 5.6-6.1 HA GLU 111 - HB2 GLU 112 far 0 94 0 - 5.7-6.6 HA LEU 14 - HB3 GLU 112 far 0 87 0 - 9.1-9.6 HA LEU 14 - HB2 GLU 112 far 0 87 0 - 9.8-10.9 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 2.3-2.6 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 100 100 2.5-3.0 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 - 6.3-7.1 HG3 GLN 100 - HB3 GLU 69 far 0 71 0 - 7.1-9.0 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 7.1-8.7 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 2.5-3.0 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 100 100 2.3-2.6 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 2.5-3.0 3.0=100 HG2 GLN 83 - HB3 GLU 112 far 0 100 0 - 6.3-7.1 HG3 GLN 100 - HB3 GLU 69 far 0 75 0 - 7.1-9.0 HG2 GLN 83 - HB2 GLU 112 far 0 100 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 6639 from cnoeabs.peaks (8.23, 2.34, 36.01 ppm; 3.45 A): 0 out of 2 assignments used, quality = 0.00: ! H GLU 112 - HG2 GLU 112 far 10 100 10 - 1.9-4.6 H GLU 112 - HG3 GLU 112 far 5 100 5 - 3.4-4.5 Violated in 18 structures by 0.47 A. Peak 6640 from cnoeabs.peaks (4.00, 2.34, 36.01 ppm; 3.19 A): 2 out of 6 assignments used, quality = 0.91: HA GLU 112 + HG3 GLU 112 OK 87 100 90 97 2.4-3.9 6623/3.0=55, 6625=51...(21) * HA GLU 112 + HG2 GLU 112 OK 24 100 25 97 2.8-3.8 6623/3.0=55, 4.1=47...(19) HA GLU 111 - HG2 GLU 112 far 0 94 0 - 5.3-7.8 HA GLU 111 - HG3 GLU 112 far 0 94 0 - 6.9-7.4 HA3 GLY 101 - HG3 GLU 103 far 0 29 0 - 7.2-10.7 HA LEU 14 - HG2 GLU 112 far 0 87 0 - 9.8-11.6 Violated in 1 structures by 0.00 A. Peak 6641 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 12 assignments used, quality = 0.97: HB3 GLU 112 + HG2 GLU 112 OK 84 100 100 84 2.3-2.6 3.0=60, ~6646=11...(13) * HB2 GLU 112 + HG2 GLU 112 OK 47 100 55 85 2.5-3.0 3.0=60, 6623/4.1=21...(12) HB3 GLU 112 + HG3 GLU 112 OK 44 100 55 81 2.5-3.0 3.0=60, 3.0/6640=24...(10) HB2 GLU 112 + HG3 GLU 112 OK 36 100 45 80 2.3-3.0 3.0=60, 6623/6640=24...(10) HB2 GLU 103 - HG3 GLU 103 poor 19 38 50 - 2.3-3.0 HB2 GLU 111 - HG2 GLU 112 far 0 77 0 - 3.6-8.5 HB2 GLU 111 - HG3 GLU 112 far 0 77 0 - 5.0-8.1 HB3 PHE 79 - HG3 GLU 103 far 0 33 0 - 5.5-8.5 HG2 GLU 119 - HG3 GLU 112 far 0 95 0 - 7.1-10.2 HG2 GLU 119 - HG2 GLU 112 far 0 96 0 - 7.3-10.7 HG2 GLU 119 - HG3 GLU 103 far 0 34 0 - 9.2-12.6 HB2 LYS 94 - HG3 GLU 103 far 0 26 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 6642 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 12 assignments used, quality = 0.97: * HB3 GLU 112 + HG2 GLU 112 OK 84 100 100 84 2.3-2.6 3.0=60, ~6646=11...(13) HB2 GLU 112 + HG2 GLU 112 OK 47 100 55 85 2.5-3.0 3.0=60, 6624/4.1=21...(12) HB3 GLU 112 + HG3 GLU 112 OK 44 100 55 81 2.5-3.0 3.0=60, 3.0/6640=24...(10) HB2 GLU 112 + HG3 GLU 112 OK 36 100 45 80 2.3-3.0 3.0=60, 6624/6640=24...(10) HB2 GLU 103 - HG3 GLU 103 poor 19 38 50 - 2.3-3.0 HB2 GLU 111 - HG2 GLU 112 far 0 73 0 - 3.6-8.5 HB2 GLU 111 - HG3 GLU 112 far 0 73 0 - 5.0-8.1 HB3 PHE 79 - HG3 GLU 103 far 0 34 0 - 5.5-8.5 HG2 GLU 119 - HG3 GLU 112 far 0 97 0 - 7.1-10.2 HG2 GLU 119 - HG2 GLU 112 far 0 97 0 - 7.3-10.7 HG2 GLU 119 - HG3 GLU 103 far 0 35 0 - 9.2-12.6 HB2 LYS 94 - HG3 GLU 103 far 0 28 0 - 9.4-12.4 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): 0 out of 2 assignments used, quality = 0.00: H GLU 112 - HG2 GLU 112 far 10 100 10 - 1.9-4.6 ! H GLU 112 - HG3 GLU 112 far 5 100 5 - 3.4-4.5 Violated in 18 structures by 0.47 A. Peak 6646 from cnoeabs.peaks (4.00, 2.34, 36.01 ppm; 3.19 A): 2 out of 5 assignments used, quality = 0.91: * HA GLU 112 + HG3 GLU 112 OK 88 100 90 97 2.4-3.9 6623/3.0=55, 6626=51...(21) HA GLU 112 + HG2 GLU 112 OK 24 100 25 97 2.8-3.8 6623/3.0=55, 4.1=47...(19) HA GLU 111 - HG2 GLU 112 far 0 94 0 - 5.3-7.8 HA GLU 111 - HG3 GLU 112 far 0 94 0 - 6.9-7.4 HA LEU 14 - HG2 GLU 112 far 0 87 0 - 9.8-11.6 Violated in 1 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 = 0.97: HB3 GLU 112 + HG2 GLU 112 OK 84 100 100 84 2.3-2.6 3.0=60, ~6646=11...(12) HB2 GLU 112 + HG2 GLU 112 OK 47 100 55 85 2.5-3.0 3.0=60, 6623/4.1=21...(12) HB3 GLU 112 + HG3 GLU 112 OK 44 100 55 81 2.5-3.0 3.0=60, 3.0/6646=24...(10) * HB2 GLU 112 + HG3 GLU 112 OK 36 100 45 80 2.3-3.0 3.0=60, 6623/6646=24...(10) HB2 GLU 111 - HG2 GLU 112 far 0 77 0 - 3.6-8.5 HB2 GLU 111 - HG3 GLU 112 far 0 77 0 - 5.0-8.1 HG2 GLU 119 - HG3 GLU 112 far 0 96 0 - 7.1-10.2 HG2 GLU 119 - HG2 GLU 112 far 0 95 0 - 7.3-10.7 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 = 0.97: HB3 GLU 112 + HG2 GLU 112 OK 84 100 100 84 2.3-2.6 3.0=60, ~6646=11...(12) HB2 GLU 112 + HG2 GLU 112 OK 47 100 55 85 2.5-3.0 3.0=60, 6624/4.1=21...(12) * HB3 GLU 112 + HG3 GLU 112 OK 44 100 55 81 2.5-3.0 3.0=60, 3.0/6646=24...(10) HB2 GLU 112 + HG3 GLU 112 OK 36 100 45 80 2.3-3.0 3.0=60, 6624/6646=24...(10) HB2 GLU 111 - HG2 GLU 112 far 0 73 0 - 3.6-8.5 HB2 GLU 111 - HG3 GLU 112 far 0 73 0 - 5.0-8.1 HG2 GLU 119 - HG3 GLU 112 far 0 97 0 - 7.1-10.2 HG2 GLU 119 - HG2 GLU 112 far 0 97 0 - 7.3-10.7 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): 1 out of 2 assignments used, quality = 1.00: * H ALA 113 + HA ALA 113 OK 100 100 100 100 2.7-2.8 3.0=100 H VAL 117 - HA ALA 113 far 0 100 0 - 4.2-4.7 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): 1 out of 4 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 far 0 92 0 - 4.8-5.4 HB3 LEU 114 - HA ALA 113 far 0 84 0 - 6.5-6.6 HG3 LYS 106 - HA ALA 113 far 0 96 0 - 9.9-10.9 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 2.0-2.0 2.9=100 H VAL 117 - QB ALA 113 far 0 100 0 - 4.9-5.3 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 - 6.5-6.8 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 4 assignments used, quality = 1.00: * HB2 LEU 114 + HA LEU 114 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 118 - HA LEU 114 far 0 98 0 - 4.5-7.3 HG2 LYS 17 - HA LEU 114 far 0 57 0 - 8.3-8.8 HG3 ARG 105 - HA LEU 114 far 0 70 0 - 10.0-13.2 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 4 assignments used, quality = 1.00: * HB3 LEU 114 + HA LEU 114 OK 100 100 100 100 2.3-2.4 3.0=100 QB ALA 113 + HA LEU 114 OK 83 84 100 99 3.7-3.8 1745/3.0=77...(10) HG LEU 14 - HA LEU 114 far 0 61 0 - 6.5-7.2 HG3 LYS 16 - HA LEU 114 far 0 100 0 - 9.9-11.2 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 3.4-3.5 3.7=100 HD3 LYS 115 - HA LEU 114 far 0 96 0 - 4.8-8.9 HD2 LYS 115 - HA LEU 114 far 0 99 0 - 5.6-8.4 HB ILE 5 - HA LEU 114 far 0 99 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6662 from cnoeabs.peaks (0.81, 3.71, 57.67 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 114 + HA LEU 114 OK 100 100 100 100 3.8-4.0 3.9=100 QD1 LEU 81 - HA LEU 114 far 0 73 0 - 6.5-7.0 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 2.2-2.5 6693=100, 1748/3.0=51...(14) QD1 ILE 116 - HA LEU 114 far 0 92 0 - 6.3-7.1 QD1 LEU 55 - HA LEU 114 far 0 81 0 - 6.6-7.4 Violated in 0 structures by 0.00 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 2.7-2.8 1744=100, 6671/1.8=69...(10) 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 3.0-3.0 3.0=100 HA LYS 61 - HB2 LEU 68 far 0 62 0 - 8.4-9.8 HA2 GLY 101 - HB2 LEU 68 far 0 62 0 - 9.6-11.3 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 4 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 far 0 84 0 - 4.9-5.1 HG LEU 14 - HB2 LEU 114 far 0 61 0 - 7.6-8.3 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 2.4-2.5 3.0=100 HD2 LYS 115 - HB2 LEU 114 far 5 99 5 - 3.0-7.3 HD3 LYS 115 - HB2 LEU 114 far 5 96 5 - 2.8-7.7 HG LEU 64 - HB2 LEU 68 far 0 62 0 - 4.6-5.2 HD2 LYS 65 - HB2 LEU 68 far 0 70 0 - 6.1-8.0 HD3 LYS 65 - HB2 LEU 68 far 0 71 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 6669 from cnoeabs.peaks (0.81, 1.74, 40.94 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 114 + HB2 LEU 114 OK 100 100 100 100 2.2-2.4 3.1=100 QD1 LEU 64 - HB2 LEU 68 far 0 62 0 - 5.6-6.2 QG2 ILE 71 - HB2 LEU 68 far 0 56 0 - 6.2-6.6 QD2 LEU 82 - HB2 LEU 68 far 0 34 0 - 7.7-8.3 QD1 LEU 81 - HB2 LEU 114 far 0 73 0 - 8.0-8.5 QD1 LEU 74 - HB2 LEU 68 far 0 56 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 6670 from cnoeabs.peaks (0.67, 1.74, 40.94 ppm; 3.78 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 114 + HB2 LEU 114 OK 100 100 100 100 3.2-3.2 3.1=100 QG2 ILE 97 - HB2 LEU 68 far 0 56 0 - 4.1-4.4 QD1 ILE 71 - HB2 LEU 68 far 0 45 0 - 4.4-4.7 QD1 ILE 116 - HB2 LEU 114 far 0 92 0 - 6.5-7.6 QD1 LEU 55 - HB2 LEU 114 far 0 81 0 - 8.9-9.6 QD1 ILE 56 - HB2 LEU 68 far 0 62 0 - 10.0-10.6 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 3.6-3.6 3.9=98, 1744/1.8=89...(10) 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 2.3-2.4 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 3 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 - 4.2-7.8 HG2 LYS 17 - HB3 LEU 114 far 0 57 0 - 7.3-7.9 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 3.0-3.0 3.0=100 HD3 LYS 115 - HB3 LEU 114 far 0 96 0 - 4.0-9.0 HD2 LYS 115 - HB3 LEU 114 far 0 99 0 - 4.6-8.7 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 2 assignments used, quality = 1.00: * QD1 LEU 114 + HB3 LEU 114 OK 100 100 100 100 2.3-2.5 3.1=100 QD1 LEU 81 - HB3 LEU 114 far 0 73 0 - 8.3-8.8 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 2.2-2.5 3.1=100 QD1 ILE 116 - HB3 LEU 114 far 0 92 0 - 7.4-8.4 QD1 LEU 55 - HB3 LEU 114 far 0 81 0 - 7.7-8.4 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 1.9-2.1 1746=100, 1748/2.1=71...(13) Violated in 0 structures by 0.00 A. Peak 6679 from cnoeabs.peaks (3.71, 1.65, 26.77 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 114 + HG LEU 114 OK 100 100 100 100 3.4-3.5 3.7=100 HA LYS 61 - HG LEU 64 far 0 77 0 - 4.9-5.7 Violated in 0 structures by 0.00 A. Peak 6680 from cnoeabs.peaks (1.74, 1.65, 26.77 ppm; 3.20 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 114 + HG LEU 114 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 LEU 90 + HG LEU 90 OK 55 55 100 100 3.0-3.0 3.0=100 HB3 LYS 94 - HG LEU 90 far 11 73 15 - 3.2-4.3 HB2 LEU 68 - HG LEU 64 far 0 70 0 - 4.6-5.2 HB2 LYS 106 - HG LEU 90 far 0 38 0 - 4.6-5.5 HB3 LEU 82 - HG LEU 90 far 0 73 0 - 4.9-5.7 HB2 LEU 80 - HG LEU 64 far 0 50 0 - 5.6-5.9 HG2 LYS 17 - HG LEU 114 far 0 57 0 - 6.6-7.3 HG2 ARG 118 - HG LEU 114 far 0 98 0 - 6.9-9.5 HB3 LEU 82 - HG LEU 64 far 0 87 0 - 8.1-8.7 HG3 ARG 105 - HG LEU 90 far 0 44 0 - 8.1-10.2 HG12 ILE 15 - HG LEU 114 far 0 94 0 - 9.9-10.7 HB3 LYS 94 - HG LEU 64 far 0 87 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6681 from cnoeabs.peaks (1.40, 1.65, 26.77 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 114 + HG LEU 114 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 113 + HG LEU 114 OK 44 84 55 95 3.3-3.7 1745/1746=61...(9) HG3 LYS 106 - HG LEU 90 far 4 70 5 - 3.5-4.2 HB3 LEU 68 - HG LEU 64 far 0 57 0 - 5.3-5.8 HG LEU 14 - HG LEU 114 far 0 61 0 - 5.4-6.1 HG3 LYS 16 - HG LEU 114 far 0 100 0 - 8.9-10.3 QB ALA 113 - HG LEU 90 far 0 55 0 - 9.8-11.2 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 9 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 far 0 44 0 - 4.3-4.9 QD2 LEU 82 - HG LEU 90 far 0 35 0 - 5.7-6.8 QD1 LEU 81 - HG LEU 90 far 0 46 0 - 7.3-7.8 QD1 LEU 81 - HG LEU 114 far 0 73 0 - 7.7-8.1 QG2 ILE 71 - HG LEU 64 far 0 70 0 - 8.0-8.6 QD1 LEU 64 - HG LEU 90 far 0 64 0 - 8.5-9.1 QD1 LEU 81 - HG LEU 64 far 0 57 0 - 9.0-9.6 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 8 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 0 70 0 - 4.8-5.3 QD1 ILE 71 - HG LEU 64 far 0 57 0 - 5.3-5.9 QD1 ILE 116 - HG LEU 114 far 0 92 0 - 7.0-8.0 QD1 ILE 56 - HG LEU 64 far 0 77 0 - 8.8-9.2 QD1 LEU 55 - HG LEU 114 far 0 81 0 - 9.1-10.0 QG2 ILE 97 - HG LEU 90 far 0 57 0 - 9.3-9.9 QD1 ILE 116 - HG LEU 90 far 0 62 0 - 9.7-10.4 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 3.5-3.7 4.5=100 Violated in 0 structures by 0.00 A. Peak 6686 from cnoeabs.peaks (3.71, 0.81, 24.73 ppm; 3.81 A increased from 3.59 A): 2 out of 2 assignments used, quality = 0.65: HA LYS 61 + QD1 LEU 64 OK 53 56 100 95 3.2-3.8 8099/3.1=51, 8097/3.1=45...(7) * HA LEU 114 + QD1 LEU 114 OK 25 100 25 100 3.8-4.0 3.9=90, 6693/2.1=85...(13) Violated in 0 structures by 0.00 A. Peak 6687 from cnoeabs.peaks (1.74, 0.81, 24.73 ppm; 3.03 A): 1 out of 11 assignments used, quality = 0.99: * HB2 LEU 114 + QD1 LEU 114 OK 99 100 100 99 2.2-2.4 3.1=90, 1.8/6688=69...(9) HG2 LYS 17 - QD1 LEU 114 far 0 57 0 - 4.3-5.1 HB2 LEU 80 - QD1 LEU 64 far 0 35 0 - 4.5-5.0 HB3 LEU 82 - QD1 LEU 64 far 0 65 0 - 4.8-5.4 HB2 LEU 68 - QD1 LEU 64 far 0 50 0 - 5.6-6.2 HG2 ARG 118 - QD1 LEU 114 far 0 98 0 - 5.8-8.6 HB3 LYS 94 - QD1 LEU 64 far 0 65 0 - 6.9-8.6 HB3 LEU 90 - QD1 LEU 64 far 0 48 0 - 8.4-8.9 HG12 ILE 15 - QD1 LEU 114 far 0 94 0 - 8.6-9.3 HG3 ARG 105 - QD1 LEU 64 far 0 38 0 - 9.6-10.2 HG12 ILE 15 - QD1 LEU 64 far 0 56 0 - 9.7-11.0 Violated in 0 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 2.3-2.5 3.1=88, 1.8/6687=67...(11) QB ALA 113 - QD1 LEU 114 far 0 84 0 - 4.4-4.7 HG LEU 14 - QD1 LEU 114 far 0 61 0 - 5.9-6.6 HB3 LEU 68 - QD1 LEU 64 far 0 40 0 - 6.0-6.4 HG3 LYS 16 - QD1 LEU 114 far 0 100 0 - 6.6-8.0 QB ALA 113 - QD1 LEU 64 far 0 48 0 - 8.3-8.7 HG3 LYS 106 - QD1 LEU 64 far 0 62 0 - 8.8-9.6 HG LEU 14 - QD1 LEU 64 far 0 33 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 6689 from cnoeabs.peaks (1.65, 0.81, 24.73 ppm; 2.72 A): 2 out of 8 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 far 0 99 0 - 4.0-8.1 HD3 LYS 115 - QD1 LEU 114 far 0 96 0 - 4.4-8.5 HD2 LYS 65 - QD1 LEU 64 far 0 64 0 - 5.8-7.8 HD3 LYS 65 - QD1 LEU 64 far 0 65 0 - 6.0-6.9 HG LEU 90 - QD1 LEU 64 far 0 50 0 - 8.5-9.1 HB ILE 5 - QD1 LEU 64 far 0 62 0 - 8.9-9.3 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 8 assignments used, quality = 1.00: * QD2 LEU 114 + QD1 LEU 114 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 ILE 97 - QD1 LEU 64 far 0 50 0 - 4.3-4.8 QD1 ILE 71 - QD1 LEU 64 far 0 40 0 - 5.7-6.3 QD1 ILE 116 - QD1 LEU 114 far 0 92 0 - 7.2-8.1 QD1 ILE 56 - QD1 LEU 64 far 0 56 0 - 7.9-8.4 QD1 LEU 55 - QD1 LEU 114 far 0 81 0 - 8.0-8.5 QD1 LEU 55 - QD1 LEU 64 far 0 45 0 - 8.8-9.6 QD2 LEU 4 - QD1 LEU 64 far 0 58 0 - 9.9-10.4 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 2.5-2.9 1748=100, 1746/2.1=91...(11) Violated in 0 structures by 0.00 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 2.2-2.5 6663=74, 3.0/1748=41...(14) Violated in 0 structures by 0.00 A. Peak 6694 from cnoeabs.peaks (1.74, 0.67, 23.24 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 114 + QD2 LEU 114 OK 100 100 100 100 3.2-3.2 3.1=100 HG2 LYS 17 - QD2 LEU 114 far 0 57 0 - 4.3-4.6 HG2 ARG 118 - QD2 LEU 114 far 0 98 0 - 5.5-8.4 HG12 ILE 15 - QD2 LEU 114 far 0 94 0 - 6.7-7.3 HG3 ARG 105 - QD2 LEU 114 far 0 70 0 - 9.6-12.6 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 2.2-2.5 3.1=100 QB ALA 113 + QD2 LEU 114 OK 79 84 100 94 2.3-2.9 10420=63, 1745/1748=45...(11) HG LEU 14 - QD2 LEU 114 far 0 61 0 - 4.0-4.6 HG3 LYS 16 - QD2 LEU 114 far 0 100 0 - 5.8-7.0 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 0 96 0 - 5.4-9.2 HD2 LYS 115 - QD2 LEU 114 far 0 99 0 - 5.6-8.5 HB ILE 5 - QD2 LEU 114 far 0 99 0 - 9.3-9.9 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 4 assignments used, quality = 1.00: * QD1 LEU 114 + QD2 LEU 114 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 81 - QD2 LEU 114 far 0 73 0 - 6.4-6.8 QG1 VAL 29 - QD2 LEU 114 far 0 99 0 - 8.2-8.6 QD2 LEU 82 - QD2 LEU 114 far 0 57 0 - 9.8-10.4 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 2.8-2.9 3.0=100 HE ARG 105 - HA LYS 115 far 0 65 0 - 9.8-12.8 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; 3.11 A increased from 2.93 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 115 + HA LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 115 + HA LYS 115 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 MET 121 - HA LYS 115 far 0 90 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 6702 from cnoeabs.peaks (1.93, 3.80, 59.88 ppm; 3.11 A increased from 2.93 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 115 + HA LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 115 + HA LYS 115 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 MET 121 - HA LYS 115 far 0 70 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 6703 from cnoeabs.peaks (1.56, 3.80, 59.88 ppm; 3.73 A increased from 3.51 A): 1 out of 1 assignment used, quality = 0.95: * HG2 LYS 115 + HA LYS 115 OK 95 100 95 100 3.5-4.0 3.9=86, 2.9/6705=52...(34) Violated in 1 structures by 0.01 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 2.5-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 6705 from cnoeabs.peaks (1.66, 3.80, 59.88 ppm; 4.04 A increased from 3.59 A): 1 out of 3 assignments used, quality = 0.90: HD3 LYS 115 + HA LYS 115 OK 90 100 90 100 2.2-4.4 6760=74, 2.9/6703=66...(45) ! HD2 LYS 115 - HA LYS 115 far 5 100 5 - 3.9-5.3 HG LEU 114 - HA LYS 115 far 0 99 0 - 6.0-6.2 Violated in 3 structures by 0.03 A. Peak 6706 from cnoeabs.peaks (1.66, 3.80, 59.88 ppm; 4.04 A increased from 3.59 A): 1 out of 3 assignments used, quality = 0.90: * HD3 LYS 115 + HA LYS 115 OK 90 100 90 100 2.2-4.4 6760=74, 2.9/6703=66...(45) HD2 LYS 115 - HA LYS 115 far 5 100 5 - 3.9-5.3 HG LEU 114 - HA LYS 115 far 0 96 0 - 6.0-6.2 Violated in 3 structures by 0.03 A. Peak 6709 from cnoeabs.peaks (7.62, 1.93, 32.18 ppm; 3.07 A): 2 out of 12 assignments used, quality = 0.98: * H LYS 115 + HB2 LYS 115 OK 97 100 100 97 2.2-3.1 1751=70, 1753/3.0=31...(14) H LYS 115 + HB3 LYS 115 OK 41 96 45 95 2.2-3.6 1751/1.8=51, 4.0=44...(14) H LEU 64 - HB3 LYS 65 far 0 85 0 - 4.5-6.3 H LEU 64 - HB2 LYS 65 far 0 83 0 - 4.8-5.5 H GLU 69 - HB3 LYS 65 far 0 83 0 - 4.8-6.4 H GLU 69 - HB2 LYS 65 far 0 80 0 - 5.3-5.8 HE ARG 105 - HB2 LYS 115 far 0 65 0 - 7.4-12.4 HE ARG 105 - HB3 LYS 115 far 0 58 0 - 8.8-12.8 HE ARG 105 - HB3 LYS 123 far 0 29 0 - 9.0-14.1 H ALA 46 - HB2 LYS 39 far 0 44 0 - 9.0-10.1 H GLN 100 - HB3 LYS 65 far 0 90 0 - 9.3-11.1 HE ARG 105 - HB2 LYS 123 far 0 51 0 - 9.7-14.7 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 2.3-3.0 3.0=100 HA LYS 115 + HB3 LYS 115 OK 96 96 100 100 2.3-3.0 3.0=100 HA LYS 65 + HB3 LYS 65 OK 90 90 100 100 2.4-2.7 3.0=100 HA LYS 65 + HB2 LYS 65 OK 88 88 100 100 3.0-3.0 3.0=100 HA ALA 113 - HB3 LYS 115 far 0 96 0 - 5.1-7.2 HA ALA 113 - HB2 LYS 115 far 0 100 0 - 5.2-6.9 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): 4 out of 12 assignments used, quality = 0.97: HG2 LYS 65 + HB2 LYS 65 OK 75 75 100 99 2.3-2.7 2.9=93, 4797/3.0=26...(40) * HG2 LYS 115 + HB2 LYS 115 OK 70 100 70 100 2.3-3.0 3.0=88, 6703/3.0=32...(42) HG2 LYS 123 + HB3 LYS 123 OK 34 38 90 100 2.3-3.0 2.9=89, 2.9/7120=31...(26) HG2 LYS 115 + HB3 LYS 115 OK 33 96 35 100 2.2-3.0 3.0=88, 6703/3.0=32...(42) HG2 LYS 123 - HB2 LYS 123 far 6 64 10 - 2.3-3.0 HG2 LYS 65 - HB3 LYS 65 far 0 77 0 - 3.0-3.0 HB3 LEU 70 - HB2 LYS 39 far 0 78 0 - 6.6-7.7 QB ALA 46 - HB2 LYS 39 far 0 73 0 - 7.5-8.9 HG3 LYS 96 - HB3 LYS 65 far 0 85 0 - 7.9-9.5 HG12 ILE 3 - HB3 LYS 123 far 0 55 0 - 8.1-9.9 HG12 ILE 3 - HB2 LYS 123 far 0 88 0 - 8.1-9.9 HG3 LYS 96 - HB2 LYS 65 far 0 83 0 - 9.0-10.3 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 2 assignments used, quality = 1.00: * HG3 LYS 115 + HB2 LYS 115 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 115 + HB3 LYS 115 OK 96 96 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6715 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 3.12 A increased from 2.63 A): 8 out of 13 assignments used, quality = 1.00: * HD2 LYS 115 + HB2 LYS 115 OK 79 100 80 99 2.6-4.2 3.7=60, 6736/3.0=31...(47) HD2 LYS 115 + HB3 LYS 115 OK 76 96 80 99 2.6-3.8 3.7=60, 6736/3.0=31...(48) HD3 LYS 65 + HB2 LYS 65 OK 76 89 85 100 2.1-3.8 3.4=77, 3.0/4817=25...(74) HD3 LYS 115 + HB2 LYS 115 OK 64 100 65 99 2.4-3.6 3.7=60, 6705/3.0=35...(49) HD3 LYS 115 + HB3 LYS 115 OK 61 95 65 99 2.1-4.0 3.7=60, 6705/3.0=35...(50) HD3 LYS 65 + HB3 LYS 65 OK 59 91 65 100 2.2-3.7 3.4=77, 4839/2.9=23...(76) HD2 LYS 65 + HB3 LYS 65 OK 42 94 45 100 2.4-4.0 3.4=77, 4848/2.9=36...(79) HD2 LYS 65 + HB2 LYS 65 OK 23 92 25 100 2.9-3.9 3.4=77, 4848/2.9=36...(79) HG LEU 64 - HB3 LYS 65 far 0 71 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 93 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 99 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 69 0 - 6.0-6.1 HB ILE 5 - HB3 LYS 123 far 0 46 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6716 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 3.12 A increased from 2.63 A): 8 out of 14 assignments used, quality = 1.00: HD2 LYS 115 + HB2 LYS 115 OK 79 100 80 99 2.6-4.2 3.7=60, 6736/3.0=31...(47) HD2 LYS 115 + HB3 LYS 115 OK 75 95 80 99 2.6-3.8 3.7=60, 6736/3.0=31...(48) HD3 LYS 65 + HB2 LYS 65 OK 72 85 85 100 2.1-3.8 3.4=77, 3.0/4817=25...(74) * HD3 LYS 115 + HB2 LYS 115 OK 65 100 65 99 2.4-3.6 3.7=60, 6706/3.0=35...(49) HD3 LYS 115 + HB3 LYS 115 OK 62 96 65 99 2.1-4.0 3.7=60, 6706/3.0=35...(50) HD3 LYS 65 + HB3 LYS 65 OK 56 87 65 100 2.2-3.7 3.4=77, 4839/2.9=22...(76) HD2 LYS 65 + HB3 LYS 65 OK 41 91 45 100 2.4-4.0 3.4=77, 4848/2.9=35...(79) HD2 LYS 65 + HB2 LYS 65 OK 22 89 25 100 2.9-3.9 3.4=77, 4848/2.9=35...(79) HD2 LYS 43 - HB2 LYS 39 far 0 48 0 - 4.6-6.8 HG LEU 64 - HB3 LYS 65 far 0 61 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 89 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 96 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 59 0 - 6.0-6.1 HB ILE 5 - HB3 LYS 123 far 0 40 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6717 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 4.27 A increased from 3.79 A): 8 out of 13 assignments used, quality = 1.00: HE2 LYS 65 + HB3 LYS 65 OK 75 89 85 100 2.0-4.6 4.8=72, 1.8/4876=29...(68) HE3 LYS 65 + HB3 LYS 65 OK 71 89 80 100 2.4-4.6 4.8=72, ~4848=24...(68) HE2 LYS 65 + HB2 LYS 65 OK 69 86 80 100 2.4-4.7 4.8=72, 3.7/4817=34...(68) HE3 LYS 65 + HB2 LYS 65 OK 65 86 75 100 2.0-5.0 4.8=72, 3.7/4817=34...(68) HE2 LYS 115 + HB3 LYS 115 OK 53 96 55 100 3.1-5.0 4.8=69, 6774/3.0=40...(51) * HE2 LYS 115 + HB2 LYS 115 OK 45 100 45 100 2.3-5.0 4.8=69, 6784/3.0=40...(52) HE3 LYS 115 + HB3 LYS 115 OK 38 96 40 100 2.3-5.0 4.8=69, 6784/3.0=33...(50) HE3 LYS 115 + HB2 LYS 115 OK 30 100 30 100 2.0-5.1 4.8=69, 6784/3.0=33...(51) HB2 ASN 8 - HB3 LYS 65 far 0 57 0 - 8.9-10.5 HE3 LYS 17 - HB2 LYS 115 far 0 94 0 - 9.3-11.2 HE3 LYS 17 - HB3 LYS 115 far 0 87 0 - 9.6-11.6 HB2 ASN 8 - HB2 LYS 65 far 0 55 0 - 9.8-10.6 HB2 ASP 34 - HB2 LYS 39 far 0 87 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6718 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 4.27 A increased from 3.79 A): 8 out of 13 assignments used, quality = 1.00: HE2 LYS 65 + HB3 LYS 65 OK 75 89 85 100 2.0-4.6 4.8=72, 1.8/4876=29...(68) HE3 LYS 65 + HB3 LYS 65 OK 71 89 80 100 2.4-4.6 4.8=72, ~4848=24...(68) HE2 LYS 65 + HB2 LYS 65 OK 69 86 80 100 2.4-4.7 4.8=72, 3.7/4817=34...(68) HE3 LYS 65 + HB2 LYS 65 OK 65 86 75 100 2.0-5.0 4.8=72, 3.7/4817=34...(68) HE2 LYS 115 + HB3 LYS 115 OK 53 96 55 100 3.1-5.0 4.8=69, 6774/3.0=40...(51) HE2 LYS 115 + HB2 LYS 115 OK 45 100 45 100 2.3-5.0 4.8=69, 6784/3.0=40...(52) HE3 LYS 115 + HB3 LYS 115 OK 38 96 40 100 2.3-5.0 4.8=69, 6784/3.0=33...(50) * HE3 LYS 115 + HB2 LYS 115 OK 30 100 30 100 2.0-5.1 4.8=69, 6784/3.0=33...(51) HB2 ASN 8 - HB3 LYS 65 far 0 57 0 - 8.9-10.5 HE3 LYS 17 - HB2 LYS 115 far 0 94 0 - 9.3-11.2 HE3 LYS 17 - HB3 LYS 115 far 0 87 0 - 9.6-11.6 HB2 ASN 8 - HB2 LYS 65 far 0 55 0 - 9.8-10.6 HB2 ASP 34 - HB2 LYS 39 far 0 87 0 - 9.9-11.6 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 14 assignments used, quality = 0.96: H LYS 115 + HB2 LYS 115 OK 93 96 100 97 2.2-3.1 1752=69, 1753/3.0=33...(14) * H LYS 115 + HB3 LYS 115 OK 43 100 45 96 2.2-3.6 1751/1.8=53, 4.0=47...(14) H LEU 64 - HB3 LYS 65 far 0 90 0 - 4.5-6.3 H LEU 64 - HB2 LYS 65 far 0 90 0 - 4.8-5.5 H GLU 69 - HB3 LYS 65 far 0 88 0 - 4.8-6.4 H GLU 69 - HB2 LYS 65 far 0 88 0 - 5.3-5.8 HE ARG 105 - HB2 LYS 115 far 0 58 0 - 7.4-12.4 H ASP 34 - HB3 LYS 39 far 0 55 0 - 8.6-9.4 HE ARG 105 - HB3 LYS 115 far 0 65 0 - 8.8-12.8 H ALA 46 - HB2 LYS 39 far 0 50 0 - 9.0-10.1 H ASP 34 - HB3 LYS 40 far 0 54 0 - 9.1-9.3 H GLN 100 - HB3 LYS 65 far 0 95 0 - 9.3-11.1 HE ARG 105 - HB2 LYS 123 far 0 58 0 - 9.7-14.7 H ALA 46 - HB3 LYS 40 far 0 24 0 - 9.7-10.6 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 2.3-3.0 3.0=100 HA LYS 115 + HB2 LYS 115 OK 96 96 100 100 2.3-3.0 3.0=100 HA LYS 65 + HB2 LYS 65 OK 95 95 100 100 3.0-3.0 3.0=100 HA LYS 65 + HB3 LYS 65 OK 95 95 100 100 2.4-2.7 3.0=100 HA ALA 113 - HB3 LYS 115 far 0 100 0 - 5.1-7.2 HA ALA 113 - HB2 LYS 115 far 0 96 0 - 5.2-6.9 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): 3 out of 13 assignments used, quality = 0.96: HG2 LYS 65 + HB2 LYS 65 OK 82 83 100 100 2.3-2.7 2.9=93, 4797/3.0=26...(40) HG2 LYS 115 + HB2 LYS 115 OK 67 96 70 100 2.3-3.0 3.0=89, 6703/3.0=32...(42) * HG2 LYS 115 + HB3 LYS 115 OK 35 100 35 100 2.2-3.0 3.0=89, 6703/3.0=32...(42) HG2 LYS 123 - HB2 LYS 123 far 7 72 10 - 2.3-3.0 HG2 LYS 65 - HB3 LYS 65 far 0 83 0 - 3.0-3.0 HB3 LEU 70 - HB2 LYS 39 far 0 85 0 - 6.6-7.7 QB ALA 46 - HB2 LYS 39 far 0 81 0 - 7.5-8.9 HB3 LEU 70 - HB3 LYS 39 far 0 47 0 - 7.7-9.2 HG3 LYS 96 - HB3 LYS 65 far 0 90 0 - 7.9-9.5 HG12 ILE 3 - HB2 LYS 123 far 0 95 0 - 8.1-9.9 QB ALA 46 - HB3 LYS 39 far 0 44 0 - 8.6-10.1 HG3 LYS 96 - HB2 LYS 65 far 0 90 0 - 9.0-10.3 QB ALA 46 - HB3 LYS 40 far 0 43 0 - 9.5-10.0 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 2 assignments used, quality = 1.00: * HG3 LYS 115 + HB3 LYS 115 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 115 + HB2 LYS 115 OK 96 96 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 6725 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.97 A increased from 2.64 A): 7 out of 14 assignments used, quality = 1.00: HD3 LYS 65 + HB2 LYS 65 OK 81 96 85 100 2.1-3.8 3.4=67, 3.0/4807=25...(74) HD2 LYS 115 + HB2 LYS 115 OK 75 96 80 99 2.6-4.2 3.7=52, 6736/3.0=29...(46) * HD2 LYS 115 + HB3 LYS 115 OK 74 100 75 99 2.6-3.8 3.7=52, 6736/3.0=29...(48) HD3 LYS 115 + HB3 LYS 115 OK 64 100 65 99 2.1-4.0 3.7=52, 6705/3.0=31...(49) HD3 LYS 65 + HB3 LYS 65 OK 48 96 50 100 2.2-3.7 3.4=67, 4839/2.9=21...(76) HD3 LYS 115 + HB2 LYS 115 OK 33 95 35 99 2.4-3.6 3.7=52, 6705/3.0=31...(48) HD2 LYS 65 + HB3 LYS 65 OK 29 98 30 100 2.4-4.0 3.4=67, 4848/2.9=33...(78) HD2 LYS 65 - HB2 LYS 65 far 15 98 15 - 2.9-3.9 HG LEU 64 - HB3 LYS 65 far 0 76 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 99 0 - 5.7-7.3 HG LEU 114 - HB2 LYS 115 far 0 93 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 76 0 - 6.0-6.1 HB2 ARG 30 - HB3 LYS 40 far 0 53 0 - 8.1-10.5 HD2 LYS 49 - HB3 LYS 40 far 0 53 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 6726 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.97 A increased from 2.64 A): 7 out of 17 assignments used, quality = 1.00: HD3 LYS 65 + HB2 LYS 65 OK 78 92 85 100 2.1-3.8 3.4=67, 3.0/4807=25...(74) HD2 LYS 115 + HB2 LYS 115 OK 75 95 80 99 2.6-4.2 3.7=52, 6736/3.0=29...(46) HD2 LYS 115 + HB3 LYS 115 OK 74 100 75 99 2.6-3.8 3.7=52, 6736/3.0=29...(48) * HD3 LYS 115 + HB3 LYS 115 OK 64 100 65 99 2.1-4.0 3.7=52, 6706/3.0=31...(49) HD3 LYS 65 + HB3 LYS 65 OK 46 92 50 100 2.2-3.7 3.4=67, 4839/2.9=20...(76) HD3 LYS 115 + HB2 LYS 115 OK 33 96 35 99 2.4-3.6 3.7=52, 6706/3.0=31...(48) HD2 LYS 65 + HB3 LYS 65 OK 29 96 30 100 2.4-4.0 3.4=67, 4848/2.9=32...(78) HD2 LYS 65 - HB2 LYS 65 far 14 96 15 - 2.9-3.9 HD2 LYS 43 - HB2 LYS 39 far 0 54 0 - 4.6-6.8 HD2 LYS 43 - HB3 LYS 39 far 0 27 0 - 4.7-8.2 HG LEU 64 - HB3 LYS 65 far 0 65 0 - 5.1-6.1 HG LEU 114 - HB3 LYS 115 far 0 96 0 - 5.7-7.3 HD2 LYS 43 - HB3 LYS 40 far 0 26 0 - 5.8-8.5 HG LEU 114 - HB2 LYS 115 far 0 89 0 - 5.8-6.7 HG LEU 64 - HB2 LYS 65 far 0 66 0 - 6.0-6.1 HB2 ARG 30 - HB3 LYS 40 far 0 51 0 - 8.1-10.5 HD2 LYS 49 - HB3 LYS 40 far 0 50 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 6727 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.96 A): 4 out of 15 assignments used, quality = 0.99: HE2 LYS 65 + HB2 LYS 65 OK 75 94 80 100 2.4-4.7 4.8=58, 3.7/4807=34...(68) HE2 LYS 65 + HB3 LYS 65 OK 70 93 75 100 2.0-4.6 4.8=58, 1.8/4875=27...(68) HE3 LYS 65 + HB2 LYS 65 OK 61 94 65 100 2.0-5.0 4.8=58, 3.7/4807=34...(68) HE3 LYS 65 + HB3 LYS 65 OK 56 93 60 100 2.4-4.6 4.8=58, 1.8/4875=22...(68) HE3 LYS 115 - HB3 LYS 115 poor 20 100 20 100 2.3-5.0 4.8=55, 6784/3.0=30...(49) ! HE2 LYS 115 - HB3 LYS 115 poor 20 100 20 100 3.1-5.0 4.8=55, 6774/3.0=36...(51) HE3 LYS 115 - HB2 LYS 115 poor 19 96 20 - 2.0-5.1 HE2 LYS 115 - HB2 LYS 115 poor 19 96 20 - 2.3-5.0 HB2 ASP 34 - HB3 LYS 39 far 0 55 0 - 8.3-10.1 HB2 ASP 34 - HB3 LYS 40 far 0 54 0 - 8.4-10.5 HB2 ASN 8 - HB3 LYS 65 far 0 61 0 - 8.9-10.5 HE3 LYS 17 - HB2 LYS 115 far 0 87 0 - 9.3-11.2 HE3 LYS 17 - HB3 LYS 115 far 0 94 0 - 9.6-11.6 HB2 ASN 8 - HB2 LYS 65 far 0 62 0 - 9.8-10.6 HB2 ASP 34 - HB2 LYS 39 far 0 95 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6728 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.96 A): 4 out of 15 assignments used, quality = 0.99: HE2 LYS 65 + HB2 LYS 65 OK 75 94 80 100 2.4-4.7 4.8=58, 3.7/4807=34...(68) HE2 LYS 65 + HB3 LYS 65 OK 70 93 75 100 2.0-4.6 4.8=58, 1.8/4875=27...(68) HE3 LYS 65 + HB2 LYS 65 OK 61 94 65 100 2.0-5.0 4.8=58, 3.7/4807=34...(68) HE3 LYS 65 + HB3 LYS 65 OK 56 93 60 100 2.4-4.6 4.8=58, 1.8/4875=22...(68) ! HE3 LYS 115 - HB3 LYS 115 poor 20 100 20 100 2.3-5.0 4.8=55, 6784/3.0=30...(49) HE2 LYS 115 - HB3 LYS 115 poor 20 100 20 100 3.1-5.0 4.8=55, 6774/3.0=36...(51) HE3 LYS 115 - HB2 LYS 115 poor 19 96 20 - 2.0-5.1 HE2 LYS 115 - HB2 LYS 115 poor 19 96 20 - 2.3-5.0 HB2 ASP 34 - HB3 LYS 39 far 0 55 0 - 8.3-10.1 HB2 ASP 34 - HB3 LYS 40 far 0 54 0 - 8.4-10.5 HB2 ASN 8 - HB3 LYS 65 far 0 61 0 - 8.9-10.5 HE3 LYS 17 - HB2 LYS 115 far 0 87 0 - 9.3-11.2 HE3 LYS 17 - HB3 LYS 115 far 0 94 0 - 9.6-11.6 HB2 ASN 8 - HB2 LYS 65 far 0 62 0 - 9.8-10.6 HB2 ASP 34 - HB2 LYS 39 far 0 95 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6729 from cnoeabs.peaks (7.62, 1.56, 24.91 ppm; 4.34 A increased from 3.86 A): 2 out of 6 assignments used, quality = 0.96: * H LYS 115 + HG2 LYS 115 OK 95 100 95 100 1.9-4.5 1753=100, 3.0/6703=74...(18) H LEU 64 + HG2 LYS 65 OK 23 64 55 67 3.9-7.4 391/1426=48, 2084/402=32 H GLU 69 - HG2 LYS 65 far 0 62 0 - 4.5-7.2 H GLN 100 - HG3 LYS 96 far 0 83 0 - 7.0-8.9 HE ARG 105 - HG2 LYS 115 far 0 65 0 - 7.3-12.7 H GLN 100 - HG2 LYS 65 far 0 69 0 - 9.3-11.4 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 = 0.92: * HA LYS 115 + HG2 LYS 115 OK 75 100 75 100 3.5-4.0 6703=87, 6706/2.9=47...(33) HA LYS 65 + HG2 LYS 65 OK 69 69 100 100 2.8-3.4 4797=80, 4798/1.8=65...(37) HA ALA 113 - HG2 LYS 115 far 0 100 0 - 5.1-6.9 HA LYS 65 - HG3 LYS 96 far 0 83 0 - 8.8-10.0 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 8 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=33...(44) HB3 LYS 115 + HG2 LYS 115 OK 83 98 85 100 2.2-3.0 3.0=94, 3.0/6703=33...(44) HB2 LYS 65 + HG2 LYS 65 OK 69 69 100 100 2.3-2.7 2.9=99, 3.0/4797=30...(41) HB3 LYS 65 + HG2 LYS 65 OK 35 70 50 100 3.0-3.0 2.9=99, 1.8/6723=30...(42) HB3 LYS 65 - HG3 LYS 96 far 0 84 0 - 7.9-9.5 HB2 LEU 70 - HG2 LYS 65 far 0 52 0 - 8.9-11.0 HB2 LYS 65 - HG3 LYS 96 far 0 83 0 - 9.0-10.3 HB3 LYS 17 - HG2 LYS 115 far 0 98 0 - 9.7-13.2 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 8 assignments used, quality = 1.00: HB2 LYS 115 + HG2 LYS 115 OK 98 98 100 100 2.3-3.0 3.0=94, 3.0/6703=33...(44) * HB3 LYS 115 + HG2 LYS 115 OK 85 100 85 100 2.2-3.0 3.0=94, 3.0/6703=33...(44) HB2 LYS 65 + HG2 LYS 65 OK 73 73 100 100 2.3-2.7 2.9=99, 3.0/4797=30...(41) HB3 LYS 65 + HG2 LYS 65 OK 37 73 50 100 3.0-3.0 2.9=99, 1.8/6723=30...(42) HB3 LYS 65 - HG3 LYS 96 far 0 87 0 - 7.9-9.5 HB2 LEU 70 - HG2 LYS 65 far 0 66 0 - 8.9-11.0 HB2 LYS 65 - HG3 LYS 96 far 0 87 0 - 9.0-10.3 HB3 LYS 17 - HG2 LYS 115 far 0 87 0 - 9.7-13.2 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 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 6735 from cnoeabs.peaks (1.66, 1.56, 24.91 ppm; 2.55 A increased from 2.40 A): 3 out of 9 assignments used, quality = 0.98: * HD2 LYS 115 + HG2 LYS 115 OK 94 100 100 94 2.3-2.6 2.9=67, 11463/10462=15...(43) HD2 LYS 65 + HG2 LYS 65 OK 50 73 70 97 2.3-3.0 3.0=64, 4848/1.8=35...(54) HD3 LYS 65 + HG2 LYS 65 OK 38 70 55 97 2.4-3.0 3.0=64, 4839/1.8=22...(53) HD3 LYS 115 - HG2 LYS 115 far 10 100 10 - 2.5-3.0 HG LEU 64 - HG2 LYS 65 far 0 52 0 - 4.5-6.9 HG3 ARG 95 - HG3 LYS 96 far 0 47 0 - 4.6-8.7 HG LEU 114 - HG2 LYS 115 far 0 99 0 - 4.6-8.3 HD2 LYS 65 - HG3 LYS 96 far 0 86 0 - 5.4-8.6 HD3 LYS 65 - HG3 LYS 96 far 0 84 0 - 6.1-9.6 Violated in 0 structures by 0.00 A. Peak 6736 from cnoeabs.peaks (1.66, 1.56, 24.91 ppm; 2.55 A increased from 2.40 A): 3 out of 9 assignments used, quality = 0.98: HD2 LYS 115 + HG2 LYS 115 OK 94 100 100 94 2.3-2.6 2.9=67, 11463/10462=13...(43) HD2 LYS 65 + HG2 LYS 65 OK 48 70 70 97 2.3-3.0 3.0=64, 4848/1.8=34...(54) HD3 LYS 65 + HG2 LYS 65 OK 35 66 55 97 2.4-3.0 3.0=64, 4839/1.8=22...(53) ! HD3 LYS 115 - HG2 LYS 115 far 10 100 10 - 2.5-3.0 HG LEU 64 - HG2 LYS 65 far 0 44 0 - 4.5-6.9 HG3 ARG 95 - HG3 LYS 96 far 0 57 0 - 4.6-8.7 HG LEU 114 - HG2 LYS 115 far 0 96 0 - 4.6-8.3 HD2 LYS 65 - HG3 LYS 96 far 0 84 0 - 5.4-8.6 HD3 LYS 65 - HG3 LYS 96 far 0 79 0 - 6.1-9.6 Violated in 0 structures by 0.00 A. Peak 6737 from cnoeabs.peaks (2.91, 1.56, 24.91 ppm; 3.63 A increased from 3.42 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 115 + HG2 LYS 115 OK 95 100 95 100 2.2-3.8 3.7=96, 6774/1.8=40...(42) HE3 LYS 115 + HG2 LYS 115 OK 85 100 85 100 2.2-3.8 3.7=96, 3.0/6736=40...(40) HE3 LYS 65 + HG2 LYS 65 OK 54 68 80 100 2.2-4.2 3.7=94, ~4848=25...(52) HE2 LYS 65 + HG2 LYS 65 OK 47 68 70 100 2.2-4.2 3.7=94, ~4848=25...(52) HE3 LYS 65 - HG3 LYS 96 far 0 81 0 - 4.7-9.1 HE2 LYS 65 - HG3 LYS 96 far 0 81 0 - 5.1-9.8 HB2 ASN 8 - HG2 LYS 65 far 0 41 0 - 7.5-11.7 HE3 LYS 17 - HG2 LYS 115 far 0 94 0 - 8.5-12.6 HE3 LYS 94 - HG3 LYS 96 far 0 79 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 6738 from cnoeabs.peaks (2.91, 1.56, 24.91 ppm; 3.63 A increased from 3.42 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 115 + HG2 LYS 115 OK 95 100 95 100 2.2-3.8 3.7=96, 6774/1.8=40...(42) * HE3 LYS 115 + HG2 LYS 115 OK 85 100 85 100 2.2-3.8 3.7=96, 3.0/6736=40...(40) HE3 LYS 65 + HG2 LYS 65 OK 54 68 80 100 2.2-4.2 3.7=94, ~4848=25...(52) HE2 LYS 65 + HG2 LYS 65 OK 47 68 70 100 2.2-4.2 3.7=94, ~4848=25...(52) HE3 LYS 65 - HG3 LYS 96 far 0 81 0 - 4.7-9.1 HE2 LYS 65 - HG3 LYS 96 far 0 81 0 - 5.1-9.8 HB2 ASN 8 - HG2 LYS 65 far 0 41 0 - 7.5-11.7 HE3 LYS 17 - HG2 LYS 115 far 0 94 0 - 8.5-12.6 HE3 LYS 94 - HG3 LYS 96 far 0 79 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 6739 from cnoeabs.peaks (7.62, 1.30, 24.91 ppm; 4.66 A increased from 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.7-4.5 1754=100, 1753/1.8=88...(20) HE ARG 105 - HG3 LYS 115 far 0 65 0 - 8.1-13.8 Violated in 0 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 2.5-3.9 3.9=100 HA ALA 113 - HG3 LYS 115 far 0 100 0 - 4.9-7.7 Violated in 0 structures by 0.00 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 2.4-3.0 3.0=100 HB3 LYS 115 + HG3 LYS 115 OK 98 98 100 100 2.4-3.0 3.0=100 HB2 LEU 81 - HG3 LYS 115 far 0 94 0 - 9.6-12.3 HB3 LYS 17 - HG3 LYS 115 far 0 98 0 - 9.8-13.1 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 2.4-3.0 3.0=100 HB2 LYS 115 + HG3 LYS 115 OK 98 98 100 100 2.4-3.0 3.0=100 HB2 LEU 81 - HG3 LYS 115 far 0 77 0 - 9.6-12.3 HB3 LYS 17 - HG3 LYS 115 far 0 87 0 - 9.8-13.1 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 2 assignments used, quality = 1.00: * HG2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 123 - HG3 LYS 115 far 0 81 0 - 9.9-15.5 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 2.3-3.0 2.9=100 HD3 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 114 - HG3 LYS 115 far 0 99 0 - 5.1-8.3 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 2.4-3.0 2.9=100 HD2 LYS 115 + HG3 LYS 115 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 114 - HG3 LYS 115 far 0 96 0 - 5.1-8.3 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: * HE2 LYS 115 + HG3 LYS 115 OK 95 100 95 100 2.3-4.2 3.7=100 HE3 LYS 115 + HG3 LYS 115 OK 95 100 95 100 2.4-4.1 3.7=100 HE3 LYS 17 - HG3 LYS 115 far 0 94 0 - 8.5-12.4 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: HE2 LYS 115 + HG3 LYS 115 OK 95 100 95 100 2.3-4.2 3.7=100 * HE3 LYS 115 + HG3 LYS 115 OK 95 100 95 100 2.4-4.1 3.7=100 HE3 LYS 17 - HG3 LYS 115 far 0 94 0 - 8.5-12.4 Violated in 0 structures by 0.00 A. Peak 6749 from cnoeabs.peaks (7.62, 1.66, 29.55 ppm; 5.03 A increased from 4.03 A): 2 out of 9 assignments used, quality = 0.98: * H LYS 115 + HD2 LYS 115 OK 95 100 95 100 3.4-5.2 1753/2.9=81, 1754/2.9=75...(20) H LYS 115 + HD3 LYS 115 OK 55 99 55 100 2.8-6.0 3.0/6705=84, 1753/2.9=81...(14) H LEU 64 - HD3 LYS 65 poor 11 88 25 52 4.8-6.9 391/6.1=43, 6729/3.0=16 H LEU 64 - HD2 LYS 65 far 0 92 0 - 5.4-8.4 H GLU 69 - HD2 LYS 65 far 0 90 0 - 6.9-8.8 H GLU 69 - HD3 LYS 65 far 0 85 0 - 7.2-8.7 HE ARG 105 - HD2 LYS 115 far 0 65 0 - 8.8-14.0 H GLN 100 - HD2 LYS 65 far 0 96 0 - 8.9-12.1 HE ARG 105 - HD3 LYS 115 far 0 64 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6750 from cnoeabs.peaks (3.80, 1.66, 29.55 ppm; 4.11 A increased from 3.86 A): 2 out of 6 assignments used, quality = 0.92: HA LYS 115 + HD3 LYS 115 OK 89 99 90 100 2.2-4.4 6705=100, 6703/2.9=68...(45) HA LYS 65 + HD3 LYS 65 OK 28 93 30 100 4.1-4.9 4797/3.0=70, 4798/3.0=65...(57) HA LYS 65 - HD2 LYS 65 poor 19 96 20 - 3.9-5.0 ! HA LYS 115 - HD2 LYS 115 far 5 100 5 - 3.9-5.3 HA ALA 113 - HD2 LYS 115 far 0 100 0 - 6.4-8.1 HA ALA 113 - HD3 LYS 115 far 0 99 0 - 6.8-9.1 Violated in 1 structures by 0.00 A. Peak 6751 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: * HB2 LYS 115 + HD2 LYS 115 OK 79 100 80 99 2.6-4.2 3.7=52, 3.0/6736=29...(47) HB2 LYS 65 + HD3 LYS 65 OK 79 93 85 100 2.1-3.8 3.4=67, 4817/3.0=26...(75) HB3 LYS 115 + HD2 LYS 115 OK 72 98 75 99 2.6-3.8 3.7=52, 3.0/6736=29...(48) HB3 LYS 115 + HD3 LYS 115 OK 62 97 65 99 2.1-4.0 3.7=52, 3.0/6705=31...(50) HB3 LYS 65 + HD3 LYS 65 OK 47 94 50 100 2.2-3.7 3.4=67, 2.9/4839=21...(76) HB2 LYS 115 + HD3 LYS 115 OK 34 99 35 99 2.4-3.6 3.7=52, 3.0/6705=31...(48) HB3 LYS 65 + HD2 LYS 65 OK 29 97 30 100 2.4-4.0 3.4=67, 2.9/4848=32...(79) HB2 LYS 65 - HD2 LYS 65 far 14 96 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 98 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 97 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 6752 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 82 96 85 100 2.1-3.8 3.4=67, 4807/3.0=26...(75) HB2 LYS 115 + HD2 LYS 115 OK 77 98 80 99 2.6-4.2 3.7=52, 3.0/6736=29...(46) * HB3 LYS 115 + HD2 LYS 115 OK 74 100 75 98 2.6-3.8 3.7=52, 3.0/6736=29...(47) HB3 LYS 115 + HD3 LYS 115 OK 64 99 65 99 2.1-4.0 3.7=52, 3.0/6705=31...(49) HB3 LYS 65 + HD3 LYS 65 OK 48 96 50 100 2.2-3.7 3.4=67, 2.9/4839=21...(76) HB2 LYS 115 + HD3 LYS 115 OK 33 97 35 99 2.4-3.6 3.7=52, 3.0/6705=31...(48) HB3 LYS 65 + HD2 LYS 65 OK 30 99 30 100 2.4-4.0 3.4=67, 2.9/4848=32...(79) HB2 LYS 65 - HD2 LYS 65 far 15 99 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 87 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 85 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 6753 from cnoeabs.peaks (1.56, 1.66, 29.55 ppm; 2.55 A increased from 2.40 A): 3 out of 6 assignments used, quality = 0.99: * HG2 LYS 115 + HD2 LYS 115 OK 94 100 100 94 2.3-2.6 2.9=67, 10462/11463=15...(43) HG2 LYS 65 + HD2 LYS 65 OK 58 85 70 97 2.3-3.0 3.0=64, 1.8/4848=34...(53) HG2 LYS 65 + HD3 LYS 65 OK 43 80 55 97 2.4-3.0 3.0=64, 1.8/4839=22...(52) HG2 LYS 115 - HD3 LYS 115 far 10 99 10 - 2.5-3.0 HG3 LYS 96 - HD2 LYS 65 far 0 92 0 - 5.4-8.6 HG3 LYS 96 - HD3 LYS 65 far 0 88 0 - 6.1-9.6 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 2 assignments used, quality = 1.00: * HG3 LYS 115 + HD2 LYS 115 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 115 + HD3 LYS 115 OK 99 99 100 100 2.4-3.0 2.9=100 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 65 + HD3 LYS 65 OK 70 91 80 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE3 LYS 115 + HD2 LYS 115 OK 65 100 70 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE3 LYS 65 + HD2 LYS 65 OK 64 95 70 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) * HE2 LYS 115 + HD2 LYS 115 OK 60 100 65 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE3 LYS 115 + HD3 LYS 115 OK 60 99 65 93 2.3-3.0 3.0=75, 6774/2.9=14...(24) HE2 LYS 115 + HD3 LYS 115 OK 51 99 55 93 2.3-3.0 3.0=75, 6774/2.9=17...(24) HE3 LYS 65 + HD3 LYS 65 OK 39 91 45 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE2 LYS 65 + HD2 LYS 65 OK 37 95 40 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE3 LYS 17 - HD2 LYS 115 far 0 94 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 92 0 - 8.7-12.7 HB2 ASN 8 - HD2 LYS 65 far 0 63 0 - 8.7-12.1 HB2 ASN 8 - HD3 LYS 65 far 0 59 0 - 9.0-10.8 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 65 + HD3 LYS 65 OK 70 91 80 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) * HE3 LYS 115 + HD2 LYS 115 OK 65 100 70 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE3 LYS 65 + HD2 LYS 65 OK 64 95 70 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE2 LYS 115 + HD2 LYS 115 OK 60 100 65 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE3 LYS 115 + HD3 LYS 115 OK 60 99 65 93 2.3-3.0 3.0=75, 6774/2.9=14...(24) HE2 LYS 115 + HD3 LYS 115 OK 51 99 55 93 2.3-3.0 3.0=75, 6774/2.9=17...(24) HE3 LYS 65 + HD3 LYS 65 OK 39 91 45 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE2 LYS 65 + HD2 LYS 65 OK 37 95 40 96 2.3-3.0 3.0=74, 3.7/4848=19...(58) HE3 LYS 17 - HD2 LYS 115 far 0 94 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 92 0 - 8.7-12.7 HB2 ASN 8 - HD2 LYS 65 far 0 63 0 - 8.7-12.1 HB2 ASN 8 - HD3 LYS 65 far 0 59 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 6759 from cnoeabs.peaks (7.62, 1.66, 29.55 ppm; 5.03 A increased from 4.03 A): 2 out of 9 assignments used, quality = 0.97: H LYS 115 + HD2 LYS 115 OK 94 99 95 100 3.4-5.2 1753/2.9=81, 1754/2.9=75...(20) * H LYS 115 + HD3 LYS 115 OK 55 100 55 100 2.8-6.0 3.0/6706=84, 1753/2.9=81...(14) H LEU 64 - HD3 LYS 65 poor 20 79 25 - 4.8-6.9 H LEU 64 - HD2 LYS 65 far 0 88 0 - 5.4-8.4 H GLU 69 - HD2 LYS 65 far 0 85 0 - 6.9-8.8 H GLU 69 - HD3 LYS 65 far 0 77 0 - 7.2-8.7 HE ARG 105 - HD2 LYS 115 far 0 64 0 - 8.8-14.0 H GLN 100 - HD2 LYS 65 far 0 93 0 - 8.9-12.1 HE ARG 105 - HD3 LYS 115 far 0 65 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6760 from cnoeabs.peaks (3.80, 1.66, 29.55 ppm; 4.11 A increased from 3.86 A): 2 out of 6 assignments used, quality = 0.93: * HA LYS 115 + HD3 LYS 115 OK 90 100 90 100 2.2-4.4 6706=100, 6703/2.9=68...(45) HA LYS 65 + HD3 LYS 65 OK 25 85 30 100 4.1-4.9 4797/3.0=70, 4798/3.0=65...(57) HA LYS 65 - HD2 LYS 65 poor 19 93 20 - 3.9-5.0 HA LYS 115 - HD2 LYS 115 far 5 99 5 - 3.9-5.3 HA ALA 113 - HD2 LYS 115 far 0 99 0 - 6.4-8.1 HA ALA 113 - HD3 LYS 115 far 0 100 0 - 6.8-9.1 Violated in 1 structures by 0.00 A. Peak 6761 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: HB2 LYS 115 + HD2 LYS 115 OK 78 99 80 99 2.6-4.2 3.7=52, 3.0/6736=29...(47) HB2 LYS 65 + HD3 LYS 65 OK 72 85 85 100 2.1-3.8 3.4=67, 4817/3.0=26...(75) HB3 LYS 115 + HD2 LYS 115 OK 71 97 75 99 2.6-3.8 3.7=52, 3.0/6736=29...(48) HB3 LYS 115 + HD3 LYS 115 OK 63 98 65 99 2.1-4.0 3.7=52, 3.0/6706=31...(50) HB3 LYS 65 + HD3 LYS 65 OK 43 86 50 100 2.2-3.7 3.4=67, 2.9/4839=21...(76) * HB2 LYS 115 + HD3 LYS 115 OK 35 100 35 99 2.4-3.6 3.7=52, 3.0/6706=31...(48) HB3 LYS 65 + HD2 LYS 65 OK 28 94 30 100 2.4-4.0 3.4=67, 2.9/4848=30...(79) HB2 LYS 65 - HD2 LYS 65 far 14 93 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 97 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 98 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 6762 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.97 A increased from 2.80 A): 7 out of 10 assignments used, quality = 1.00: HB2 LYS 115 + HD2 LYS 115 OK 76 97 80 99 2.6-4.2 3.7=52, 3.0/6736=29...(46) HB2 LYS 65 + HD3 LYS 65 OK 75 89 85 100 2.1-3.8 3.4=67, 4807/3.0=26...(75) HB3 LYS 115 + HD2 LYS 115 OK 73 99 75 98 2.6-3.8 3.7=52, 3.0/6736=29...(47) * HB3 LYS 115 + HD3 LYS 115 OK 64 100 65 99 2.1-4.0 3.7=52, 3.0/6706=31...(49) HB3 LYS 65 + HD3 LYS 65 OK 44 89 50 100 2.2-3.7 3.4=67, 2.9/4839=21...(76) HB2 LYS 115 + HD3 LYS 115 OK 34 98 35 99 2.4-3.6 3.7=52, 3.0/6706=31...(48) HB3 LYS 65 + HD2 LYS 65 OK 29 96 30 100 2.4-4.0 3.4=67, 2.9/4848=30...(79) HB2 LYS 65 - HD2 LYS 65 far 14 96 15 - 2.9-3.9 HB3 LYS 17 - HD2 LYS 115 far 0 85 0 - 9.5-13.5 HB3 LYS 17 - HD3 LYS 115 far 0 87 0 - 9.6-14.3 Violated in 0 structures by 0.00 A. Peak 6763 from cnoeabs.peaks (1.56, 1.66, 29.55 ppm; 2.55 A increased from 2.40 A): 3 out of 6 assignments used, quality = 0.98: HG2 LYS 115 + HD2 LYS 115 OK 93 99 100 94 2.3-2.6 2.9=67, 10462/11463=14...(43) HG2 LYS 65 + HD2 LYS 65 OK 54 80 70 97 2.3-3.0 3.0=64, 1.8/4848=32...(53) HG2 LYS 65 + HD3 LYS 65 OK 38 72 55 97 2.4-3.0 3.0=64, 1.8/4839=22...(52) ! HG2 LYS 115 - HD3 LYS 115 far 10 100 10 - 2.5-3.0 HG3 LYS 96 - HD2 LYS 65 far 0 88 0 - 5.4-8.6 HG3 LYS 96 - HD3 LYS 65 far 0 79 0 - 6.1-9.6 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 2 assignments used, quality = 1.00: * HG3 LYS 115 + HD3 LYS 115 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 115 + HD2 LYS 115 OK 99 99 100 100 2.3-3.0 2.9=100 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: HE3 LYS 115 + HD2 LYS 115 OK 65 99 70 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE2 LYS 65 + HD3 LYS 65 OK 64 83 80 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE3 LYS 65 + HD2 LYS 65 OK 62 91 70 96 2.3-3.0 3.0=74, 3.7/4848=18...(58) HE3 LYS 115 + HD3 LYS 115 OK 60 100 65 93 2.3-3.0 3.0=75, 6774/2.9=14...(24) HE2 LYS 115 + HD2 LYS 115 OK 60 99 65 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) * HE2 LYS 115 + HD3 LYS 115 OK 51 100 55 93 2.3-3.0 3.0=75, 6774/2.9=17...(24) HE3 LYS 65 + HD3 LYS 65 OK 36 83 45 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE2 LYS 65 + HD2 LYS 65 OK 35 91 40 96 2.3-3.0 3.0=74, 3.7/4848=18...(58) HE3 LYS 17 - HD2 LYS 115 far 0 92 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 94 0 - 8.7-12.7 HB2 ASN 8 - HD2 LYS 65 far 0 59 0 - 8.7-12.1 HB2 ASN 8 - HD3 LYS 65 far 0 52 0 - 9.0-10.8 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: HE3 LYS 115 + HD2 LYS 115 OK 65 99 70 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE2 LYS 65 + HD3 LYS 65 OK 64 83 80 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE3 LYS 65 + HD2 LYS 65 OK 62 91 70 96 2.3-3.0 3.0=74, 3.7/4848=18...(58) * HE3 LYS 115 + HD3 LYS 115 OK 60 100 65 93 2.3-3.0 3.0=75, 6774/2.9=14...(24) HE2 LYS 115 + HD2 LYS 115 OK 60 99 65 93 2.3-3.0 3.0=75, 3.7/6736=17...(24) HE2 LYS 115 + HD3 LYS 115 OK 51 100 55 93 2.3-3.0 3.0=75, 6774/2.9=17...(24) HE3 LYS 65 + HD3 LYS 65 OK 36 83 45 96 2.3-3.0 3.0=74, 3.7/4839=12...(58) HE2 LYS 65 + HD2 LYS 65 OK 35 91 40 96 2.3-3.0 3.0=74, 3.7/4848=18...(58) HE3 LYS 17 - HD2 LYS 115 far 0 92 0 - 8.1-12.4 HE3 LYS 17 - HD3 LYS 115 far 0 94 0 - 8.7-12.7 HB2 ASN 8 - HD2 LYS 65 far 0 59 0 - 8.7-12.1 HB2 ASN 8 - HD3 LYS 65 far 0 52 0 - 9.0-10.8 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 2.8-6.2 6.2=99, 6705/3.0=98...(34) HA LYS 115 + HE3 LYS 115 OK 95 100 95 100 3.1-6.4 6.2=99, 6705/3.0=98...(32) HA LYS 65 + HE3 LYS 65 OK 89 89 100 100 4.1-6.1 4797/3.7=95, 4798/3.7=93...(43) HA LYS 65 + HE2 LYS 65 OK 89 89 100 100 4.2-6.0 4797/3.7=95, 4798/3.7=93...(43) HA ALA 113 - HE3 LYS 115 far 0 100 0 - 6.5-10.2 HA ALA 113 - HE2 LYS 115 far 0 100 0 - 6.9-9.7 HA ALA 113 - HE3 LYS 17 far 0 87 0 - 8.8-9.8 HA LYS 115 - HE3 LYS 17 far 0 87 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 6771 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.54 A increased from 3.34 A): 5 out of 17 assignments used, quality = 0.98: HB3 LYS 17 + HE3 LYS 17 OK 82 83 100 99 3.2-3.6 2863/2.9=60, 1.8/2892=48...(14) HB3 LYS 65 + HE3 LYS 65 OK 45 91 50 100 2.4-4.6 4.8=41, 4821/1.8=16...(67) HB2 LYS 65 + HE3 LYS 65 OK 40 89 45 100 2.0-5.0 4.8=41, 4817/3.7=28...(67) HB2 LYS 65 + HE2 LYS 65 OK 40 89 45 99 2.4-4.7 4.8=41, 4817/3.7=28...(67) HB3 LYS 65 + HE2 LYS 65 OK 36 91 40 100 2.0-4.6 4.8=41, 1.8/4812=17...(67) HB3 LYS 115 - HE3 LYS 115 poor 20 98 20 - 2.3-5.0 HB2 LYS 115 - HE3 LYS 115 far 15 100 15 - 2.0-5.1 ! HB2 LYS 115 - HE2 LYS 115 far 15 100 15 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 98 5 - 3.1-5.0 HB VAL 104 - HE3 LYS 94 far 0 53 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 98 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 98 0 - 4.9-7.9 HB ILE 15 - HE3 LYS 16 far 0 84 0 - 5.0-7.5 HB ILE 15 - HE2 LYS 16 far 0 84 0 - 5.4-8.3 HB2 LYS 115 - HE3 LYS 17 far 0 87 0 - 9.3-11.2 HB ILE 15 - HE3 LYS 17 far 0 67 0 - 9.4-9.9 HB3 LYS 115 - HE3 LYS 17 far 0 83 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6772 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.54 A increased from 3.34 A): 5 out of 17 assignments used, quality = 0.96: HB3 LYS 17 + HE3 LYS 17 OK 69 70 100 99 3.2-3.6 1.8/2892=48, 2863/2.9=46...(14) HB3 LYS 65 + HE3 LYS 65 OK 46 93 50 100 2.4-4.6 4.8=41, 4821/1.8=16...(67) HB2 LYS 65 + HE3 LYS 65 OK 42 93 45 100 2.0-5.0 4.8=41, 4807/3.7=29...(67) HB2 LYS 65 + HE2 LYS 65 OK 42 93 45 100 2.4-4.7 4.8=41, 4807/3.7=29...(67) HB3 LYS 65 + HE2 LYS 65 OK 37 93 40 100 2.0-4.6 4.8=41, 1.8/4812=17...(67) HB3 LYS 115 - HE3 LYS 115 poor 20 100 20 100 2.3-5.0 4.8=40, 3.0/6784=24...(53) HB2 LYS 115 - HE3 LYS 115 far 15 98 15 - 2.0-5.1 HB2 LYS 115 - HE2 LYS 115 far 15 98 15 - 2.3-5.0 ! HB3 LYS 115 - HE2 LYS 115 far 5 100 5 - 3.1-5.0 HB VAL 104 - HE3 LYS 94 far 0 73 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 87 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 87 0 - 4.9-7.9 HB ILE 15 - HE3 LYS 16 far 0 61 0 - 5.0-7.5 HB ILE 15 - HE2 LYS 16 far 0 61 0 - 5.4-8.3 HB2 LYS 115 - HE3 LYS 17 far 0 83 0 - 9.3-11.2 HB ILE 15 - HE3 LYS 17 far 0 47 0 - 9.4-9.9 HB3 LYS 115 - HE3 LYS 17 far 0 87 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6773 from cnoeabs.peaks (1.56, 2.91, 41.78 ppm; 3.66 A increased from 3.09 A): 4 out of 11 assignments used, quality = 1.00: * HG2 LYS 115 + HE2 LYS 115 OK 95 100 95 100 2.2-3.8 3.7=98, 1.8/6774=41...(42) HG2 LYS 115 + HE3 LYS 115 OK 85 100 85 100 2.2-3.8 3.7=98, 6736/3.0=40...(40) HG2 LYS 65 + HE3 LYS 65 OK 65 76 85 100 2.2-4.2 3.7=96, ~4848=26...(52) HG2 LYS 65 + HE2 LYS 65 OK 53 76 70 100 2.2-4.2 3.7=96, ~4848=26...(52) HD3 LYS 106 - HE3 LYS 94 lone 0 90 70 1 2.2-4.7 HD2 LYS 106 - HE3 LYS 94 lone 0 90 30 1 2.1-5.7 HG3 LYS 96 - HE3 LYS 65 far 0 84 0 - 4.7-9.1 HG3 LYS 96 - HE2 LYS 65 far 0 84 0 - 5.1-9.8 HG2 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.5-12.6 HG3 LYS 96 - HE3 LYS 94 far 0 81 0 - 9.2-11.4 HG2 LYS 123 - HE2 LYS 115 far 0 81 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 6774 from cnoeabs.peaks (1.30, 2.91, 41.78 ppm; 3.61 A): 2 out of 4 assignments used, quality = 0.95: * HG3 LYS 115 + HE2 LYS 115 OK 85 100 85 100 2.3-4.2 3.7=94, 1.8/6737=24...(54) HG3 LYS 115 + HE3 LYS 115 OK 70 100 70 100 2.4-4.1 3.7=94, 1.8/6737=22...(52) HG3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.5-12.4 HB3 LEU 80 - HE3 LYS 94 far 0 73 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 6775 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 3.12 A increased from 2.49 A): 8 out of 20 assignments used, quality = 1.00: HD2 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE3 LYS 65 OK 93 93 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 ARG 95 - HE3 LYS 94 far 2 50 5 - 2.3-8.0 HG LEU 90 - HE3 LYS 94 far 0 57 0 - 3.9-5.1 HG LEU 114 - HE3 LYS 17 far 0 84 0 - 4.1-4.9 HG LEU 114 - HE3 LYS 115 far 0 99 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 99 0 - 5.7-10.6 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 7.3-9.0 HD2 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.1-12.4 HD3 LYS 115 - HE3 LYS 17 far 0 86 0 - 8.7-12.7 HG LEU 114 - HE3 LYS 16 far 0 99 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 99 0 - 9.2-13.1 HG3 ARG 95 - HE3 LYS 65 far 0 52 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 6776 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 3.12 A increased from 2.49 A): 8 out of 19 assignments used, quality = 1.00: HD3 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE3 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 86 86 100 100 2.3-3.0 3.0=100 HG3 ARG 95 - HE3 LYS 94 far 3 60 5 - 2.3-8.0 HG LEU 114 - HE3 LYS 17 far 0 79 0 - 4.1-4.9 HG LEU 114 - HE3 LYS 115 far 0 96 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 96 0 - 5.7-10.6 HG LEU 64 - HE3 LYS 65 far 0 60 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 60 0 - 7.3-9.0 HD2 LYS 115 - HE3 LYS 17 far 0 86 0 - 8.1-12.4 HD3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.7-12.7 HG LEU 114 - HE3 LYS 16 far 0 95 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 95 0 - 9.2-13.1 HG3 ARG 95 - HE3 LYS 65 far 0 63 0 - 10.0-15.8 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 2.8-6.2 6.2=99, 6705/3.0=98...(34) * HA LYS 115 + HE3 LYS 115 OK 95 100 95 100 3.1-6.4 6.2=99, 6705/3.0=98...(32) HA LYS 65 + HE3 LYS 65 OK 89 89 100 100 4.1-6.1 4797/3.7=95, 4798/3.7=93...(43) HA LYS 65 + HE2 LYS 65 OK 89 89 100 100 4.2-6.0 4797/3.7=95, 4798/3.7=93...(43) HA ALA 113 - HE3 LYS 115 far 0 100 0 - 6.5-10.2 HA ALA 113 - HE2 LYS 115 far 0 100 0 - 6.9-9.7 HA ALA 113 - HE3 LYS 17 far 0 87 0 - 8.8-9.8 HA LYS 115 - HE3 LYS 17 far 0 87 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 6781 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.54 A increased from 3.34 A): 5 out of 17 assignments used, quality = 0.98: HB3 LYS 17 + HE3 LYS 17 OK 82 83 100 99 3.2-3.6 2863/2.9=60, 1.8/2892=48...(14) HB3 LYS 65 + HE3 LYS 65 OK 45 91 50 100 2.4-4.6 4.8=41, 4821/1.8=16...(67) HB2 LYS 65 + HE3 LYS 65 OK 40 89 45 100 2.0-5.0 4.8=41, 4817/3.7=28...(67) HB2 LYS 65 + HE2 LYS 65 OK 40 89 45 99 2.4-4.7 4.8=41, 4817/3.7=28...(67) HB3 LYS 65 + HE2 LYS 65 OK 36 91 40 100 2.0-4.6 4.8=41, 1.8/4812=17...(67) HB3 LYS 115 - HE3 LYS 115 poor 20 98 20 - 2.3-5.0 ! HB2 LYS 115 - HE3 LYS 115 far 15 100 15 - 2.0-5.1 HB2 LYS 115 - HE2 LYS 115 far 15 100 15 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 98 5 - 3.1-5.0 HB VAL 104 - HE3 LYS 94 far 0 53 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 98 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 98 0 - 4.9-7.9 HB ILE 15 - HE3 LYS 16 far 0 84 0 - 5.0-7.5 HB ILE 15 - HE2 LYS 16 far 0 84 0 - 5.4-8.3 HB2 LYS 115 - HE3 LYS 17 far 0 87 0 - 9.3-11.2 HB ILE 15 - HE3 LYS 17 far 0 67 0 - 9.4-9.9 HB3 LYS 115 - HE3 LYS 17 far 0 83 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6782 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.54 A increased from 3.34 A): 5 out of 17 assignments used, quality = 0.96: HB3 LYS 17 + HE3 LYS 17 OK 69 70 100 99 3.2-3.6 1.8/2892=48, 2863/2.9=46...(14) HB3 LYS 65 + HE3 LYS 65 OK 46 93 50 100 2.4-4.6 4.8=41, 4821/1.8=16...(67) HB2 LYS 65 + HE3 LYS 65 OK 42 93 45 100 2.0-5.0 4.8=41, 4807/3.7=29...(67) HB2 LYS 65 + HE2 LYS 65 OK 42 93 45 100 2.4-4.7 4.8=41, 4807/3.7=29...(67) HB3 LYS 65 + HE2 LYS 65 OK 37 93 40 100 2.0-4.6 4.8=41, 1.8/4812=17...(67) ! HB3 LYS 115 - HE3 LYS 115 poor 20 100 20 100 2.3-5.0 4.8=40, 3.0/6784=24...(53) HB2 LYS 115 - HE3 LYS 115 far 15 98 15 - 2.0-5.1 HB2 LYS 115 - HE2 LYS 115 far 15 98 15 - 2.3-5.0 HB3 LYS 115 - HE2 LYS 115 far 5 100 5 - 3.1-5.0 HB VAL 104 - HE3 LYS 94 far 0 73 0 - 4.6-6.5 HB3 LYS 17 - HE3 LYS 16 far 0 87 0 - 4.7-7.6 HB3 LYS 17 - HE2 LYS 16 far 0 87 0 - 4.9-7.9 HB ILE 15 - HE3 LYS 16 far 0 61 0 - 5.0-7.5 HB ILE 15 - HE2 LYS 16 far 0 61 0 - 5.4-8.3 HB2 LYS 115 - HE3 LYS 17 far 0 83 0 - 9.3-11.2 HB ILE 15 - HE3 LYS 17 far 0 47 0 - 9.4-9.9 HB3 LYS 115 - HE3 LYS 17 far 0 87 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6783 from cnoeabs.peaks (1.56, 2.91, 41.78 ppm; 3.66 A increased from 3.09 A): 4 out of 11 assignments used, quality = 1.00: HG2 LYS 115 + HE2 LYS 115 OK 95 100 95 100 2.2-3.8 3.7=98, 1.8/6774=41...(42) * HG2 LYS 115 + HE3 LYS 115 OK 85 100 85 100 2.2-3.8 3.7=98, 6736/3.0=40...(40) HG2 LYS 65 + HE3 LYS 65 OK 65 76 85 100 2.2-4.2 3.7=96, ~4848=26...(52) HG2 LYS 65 + HE2 LYS 65 OK 53 76 70 100 2.2-4.2 3.7=96, ~4848=26...(52) HD3 LYS 106 - HE3 LYS 94 lone 0 90 70 1 2.2-4.7 HD2 LYS 106 - HE3 LYS 94 lone 0 90 30 1 2.1-5.7 HG3 LYS 96 - HE3 LYS 65 far 0 84 0 - 4.7-9.1 HG3 LYS 96 - HE2 LYS 65 far 0 84 0 - 5.1-9.8 HG2 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.5-12.6 HG3 LYS 96 - HE3 LYS 94 far 0 81 0 - 9.2-11.4 HG2 LYS 123 - HE2 LYS 115 far 0 81 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 6784 from cnoeabs.peaks (1.30, 2.91, 41.78 ppm; 3.61 A): 2 out of 4 assignments used, quality = 0.95: HG3 LYS 115 + HE2 LYS 115 OK 85 100 85 100 2.3-4.2 3.7=94, 1.8/6737=24...(54) * HG3 LYS 115 + HE3 LYS 115 OK 70 100 70 100 2.4-4.1 3.7=94, 1.8/6737=22...(52) HG3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.5-12.4 HB3 LEU 80 - HE3 LYS 94 far 0 73 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 6785 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 3.12 A increased from 2.49 A): 8 out of 20 assignments used, quality = 1.00: * HD2 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE3 LYS 65 OK 93 93 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 ARG 95 - HE3 LYS 94 far 2 50 5 - 2.3-8.0 HG LEU 90 - HE3 LYS 94 far 0 57 0 - 3.9-5.1 HG LEU 114 - HE3 LYS 17 far 0 84 0 - 4.1-4.9 HG LEU 114 - HE3 LYS 115 far 0 99 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 99 0 - 5.7-10.6 HG LEU 64 - HE3 LYS 65 far 0 70 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 70 0 - 7.3-9.0 HD2 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.1-12.4 HD3 LYS 115 - HE3 LYS 17 far 0 86 0 - 8.7-12.7 HG LEU 114 - HE3 LYS 16 far 0 99 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 99 0 - 9.2-13.1 HG3 ARG 95 - HE3 LYS 65 far 0 52 0 - 10.0-15.8 Violated in 0 structures by 0.00 A. Peak 6786 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 3.12 A increased from 2.49 A): 8 out of 19 assignments used, quality = 1.00: * HD3 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE3 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 115 + HE2 LYS 115 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE3 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HD2 LYS 65 + HE2 LYS 65 OK 91 91 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE2 LYS 65 OK 86 86 100 100 2.3-3.0 3.0=100 HD3 LYS 65 + HE3 LYS 65 OK 86 86 100 100 2.3-3.0 3.0=100 HG3 ARG 95 - HE3 LYS 94 far 3 60 5 - 2.3-8.0 HG LEU 114 - HE3 LYS 17 far 0 79 0 - 4.1-4.9 HG LEU 114 - HE3 LYS 115 far 0 96 0 - 5.7-10.6 HG LEU 114 - HE2 LYS 115 far 0 96 0 - 5.7-10.6 HG LEU 64 - HE3 LYS 65 far 0 60 0 - 7.0-9.1 HG LEU 64 - HE2 LYS 65 far 0 60 0 - 7.3-9.0 HD2 LYS 115 - HE3 LYS 17 far 0 86 0 - 8.1-12.4 HD3 LYS 115 - HE3 LYS 17 far 0 87 0 - 8.7-12.7 HG LEU 114 - HE3 LYS 16 far 0 95 0 - 8.9-12.8 HG LEU 114 - HE2 LYS 16 far 0 95 0 - 9.2-13.1 HG3 ARG 95 - HE3 LYS 65 far 0 63 0 - 10.0-15.8 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 2.7-2.9 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 1 assignment used, quality = 1.00: * HB ILE 116 + HA ILE 116 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.2-2.3 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 3.0-3.8 4.0=100 HG2 LYS 123 - HA ILE 116 far 0 94 0 - 8.9-10.5 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 3.1-3.8 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 2.0-2.2 4.1=100 QD2 LEU 114 - HA ILE 116 far 0 92 0 - 7.6-8.1 QD1 LEU 55 - HA ILE 116 far 0 99 0 - 9.2-9.9 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 2.5-2.8 1761=100, 1763/6812=66...(12) 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 2 assignments used, quality = 1.00: * HG12 ILE 116 + HB ILE 116 OK 100 100 100 100 2.4-2.6 2.9=100 HG LEU 82 - HB ILE 116 far 0 81 0 - 9.6-10.0 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 2.3-2.6 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 3 assignments used, quality = 1.00: * QD1 ILE 116 + HB ILE 116 OK 100 100 100 100 3.2-3.2 3.2=100 QD2 LEU 114 - HB ILE 116 far 0 92 0 - 6.0-6.6 QD1 LEU 55 - HB ILE 116 far 0 99 0 - 8.1-8.9 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 3.7-3.8 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 2.2-2.3 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 4 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 - 6.6-7.2 HB ILE 5 - QG2 ILE 116 far 0 73 0 - 7.9-8.4 HG LEU 90 - QG2 ILE 116 far 0 94 0 - 9.2-9.9 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 2.1-3.2 3.2=100 HG LEU 82 - QG2 ILE 116 far 0 81 0 - 7.3-7.8 HG2 LYS 123 - QG2 ILE 116 far 0 94 0 - 8.0-9.1 HG LEU 55 - QG2 ILE 116 far 0 65 0 - 9.0-9.5 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 - 9.8-10.5 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 4 assignments used, quality = 1.00: * QD1 ILE 116 + QG2 ILE 116 OK 100 100 100 100 1.9-2.3 3.0=100 QD2 LEU 114 - QG2 ILE 116 far 0 92 0 - 6.7-7.2 QD1 LEU 55 - QG2 ILE 116 far 0 99 0 - 7.3-7.9 QG2 ILE 97 - QG2 ILE 116 far 0 100 0 - 8.8-9.1 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...(8) 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 3.0-3.8 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 2 assignments used, quality = 0.81: * HB ILE 116 + HG12 ILE 116 OK 81 100 100 81 2.4-2.6 2.9=65, 1761/1763=23...(5) HB2 LEU 82 - HG12 ILE 116 far 0 94 0 - 8.1-10.3 Violated in 1 structures by 0.00 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 2.1-3.2 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 - 6.1-7.5 QD1 LEU 55 - HG12 ILE 116 far 0 99 0 - 9.8-10.9 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 1.9-3.6 1764=100, 1763/1.8=85...(10) H SER 72 - HD3 LYS 2 far 0 41 0 - 9.7-12.5 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 3.1-3.8 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 3 assignments used, quality = 1.00: * HB ILE 116 + HG13 ILE 116 OK 100 100 100 100 2.3-2.6 2.9=100 HB2 LEU 82 - HG13 ILE 116 far 0 94 0 - 8.2-10.1 HD3 LYS 77 - HD3 LYS 2 far 0 73 0 - 9.8-13.7 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 4 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 - 7.8-12.3 HB3 LEU 70 - HD3 LYS 2 far 0 56 0 - 8.5-12.0 HG LEU 82 - HG13 ILE 116 far 0 81 0 - 9.4-11.3 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 6 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 22 78 40 69 2.5-5.3 ~11235=30, ~9469=29...(5) QD2 LEU 114 - HG13 ILE 116 far 0 92 0 - 6.2-7.8 QD1 ILE 56 - HD3 LYS 2 far 0 41 0 - 6.9-9.7 QG2 ILE 56 - HD3 LYS 2 far 0 56 0 - 9.0-11.8 QD1 LEU 55 - HG13 ILE 116 far 0 99 0 - 10.0-10.7 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 2.2-3.5 1765=100, 1764/2.1=85...(16) 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 2.0-2.2 4.1=95, 3.0/1765=67...(14) 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 3.2-3.2 3.2=100 HB2 LEU 82 - QD1 ILE 116 far 0 94 0 - 8.1-8.7 HG LEU 90 - QD1 ILE 116 far 0 94 0 - 9.7-10.4 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 1.9-2.3 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 HG2 LYS 123 - QD1 ILE 116 far 0 94 0 - 9.0-10.1 HG LEU 82 - QD1 ILE 116 far 0 81 0 - 9.3-9.9 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 - 8.7-9.1 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 3.0-3.0 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 8 assignments used, quality = 1.00: * QG2 VAL 117 + HA VAL 117 OK 100 100 100 100 2.3-2.5 3.2=100 HG13 ILE 5 - HA VAL 117 far 0 61 0 - 6.6-7.3 QG2 VAL 22 - HA VAL 117 far 0 90 0 - 7.1-8.0 QG2 VAL 107 - HA VAL 117 far 0 100 0 - 7.6-8.4 QD1 LEU 14 - HA VAL 117 far 0 98 0 - 7.7-8.5 QG2 THR 9 - HA VAL 117 far 0 100 0 - 8.5-9.1 HG13 ILE 57 - HA VAL 117 far 0 98 0 - 9.1-9.9 QG2 VAL 104 - HA VAL 117 far 0 61 0 - 9.9-10.5 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 2.3-2.4 3.2=100 QD2 LEU 81 + HA VAL 117 OK 63 77 95 86 3.3-3.6 1770/3.0=50, ~11639=20...(9) QG2 ILE 18 - HA VAL 117 far 0 100 0 - 4.9-5.7 HG13 ILE 18 - HA VAL 117 far 0 96 0 - 6.2-6.8 QD2 LEU 55 - HA VAL 117 far 0 77 0 - 6.7-7.4 QD1 ILE 57 - HA VAL 117 far 0 81 0 - 8.4-9.2 QD1 LEU 6 - HA VAL 117 far 0 98 0 - 8.8-9.2 QD2 LEU 6 - HA VAL 117 far 0 81 0 - 9.5-9.8 QG2 VAL 78 - HA VAL 117 far 0 99 0 - 9.8-10.4 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 2.5-2.6 1768=100, 6841/2.1=76...(5) H ALA 113 - HB VAL 117 far 0 100 0 - 7.6-8.0 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 3.0-3.0 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 - 5.7-6.5 QD1 LEU 14 - HB VAL 117 far 0 98 0 - 6.1-7.0 QG2 VAL 22 - HB2 GLN 28 far 0 21 0 - 6.5-7.3 QG2 VAL 107 - HB VAL 117 far 0 100 0 - 7.3-8.2 QG2 THR 9 - HB VAL 117 far 0 100 0 - 7.9-8.4 HG13 ILE 5 - HB VAL 117 far 0 61 0 - 7.9-8.8 HG13 ILE 57 - HB VAL 117 far 0 98 0 - 8.6-9.2 QG2 ILE 15 - HB VAL 117 far 0 65 0 - 9.4-10.2 HG13 ILE 57 - HB2 GLN 28 far 0 25 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6840 from cnoeabs.peaks (0.72, 2.05, 30.75 ppm; 3.21 A): 1 out of 10 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 far 10 100 10 - 3.2-4.1 HG13 ILE 18 - HB VAL 117 far 0 96 0 - 3.7-4.5 QD2 LEU 81 - HB VAL 117 far 0 77 0 - 4.1-4.4 QD2 LEU 45 - HB2 GLN 28 far 0 26 0 - 5.9-7.4 QD2 LEU 55 - HB VAL 117 far 0 77 0 - 6.4-7.0 QD1 ILE 57 - HB VAL 117 far 0 81 0 - 7.5-8.1 QG2 VAL 78 - HB2 GLN 28 far 0 26 0 - 9.2-10.9 QG2 ILE 18 - HB2 GLN 28 far 0 26 0 - 9.4-10.6 QG1 VAL 117 - HB2 GLN 28 far 0 26 0 - 9.5-11.1 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 2.0-2.4 1768/2.1=68, 1769=52...(9) H ALA 113 - QG2 VAL 117 far 0 100 0 - 5.7-6.1 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 2.3-2.5 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 - 9.9-10.8 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): 3 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 QD2 LEU 81 + QG2 VAL 117 OK 49 77 100 63 2.0-2.2 1770/6841=23...(7) QG2 ILE 18 + QG2 VAL 117 OK 42 100 70 60 2.2-2.8 2920/10524=31...(6) HG13 ILE 18 - QG2 VAL 117 far 5 96 5 - 2.6-3.1 QD2 LEU 55 - QG2 VAL 117 far 0 77 0 - 4.4-5.1 QD1 ILE 57 - QG2 VAL 117 far 0 81 0 - 5.3-6.0 QD1 LEU 6 - QG2 VAL 117 far 0 98 0 - 6.7-7.0 QD2 LEU 6 - QG2 VAL 117 far 0 81 0 - 7.2-7.8 QG2 VAL 78 - QG2 VAL 117 far 0 99 0 - 8.7-9.4 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 3.8-3.8 1768/2.1=89, 4.0=86...(7) H ALA 113 - QG1 VAL 117 far 0 100 0 - 8.1-8.5 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 2.3-2.4 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 - 9.5-11.1 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 9 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 0 90 0 - 3.8-4.5 HG13 ILE 5 - QG1 VAL 117 far 0 61 0 - 4.6-5.3 HG13 ILE 57 - QG1 VAL 117 far 0 98 0 - 6.0-6.7 QD1 LEU 14 - QG1 VAL 117 far 0 98 0 - 6.1-6.9 QG2 THR 9 - QG1 VAL 117 far 0 100 0 - 6.4-7.2 QG2 ILE 15 - QG1 VAL 117 far 0 65 0 - 7.3-8.1 QG2 VAL 107 - QG1 VAL 117 far 0 100 0 - 7.4-8.2 QG2 VAL 104 - QG1 VAL 117 far 0 61 0 - 9.6-10.2 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 2.8-2.9 2.9=100 H VAL 22 - HA ARG 118 far 0 90 0 - 6.7-8.3 H GLY 26 - HA ARG 118 far 0 98 0 - 9.5-10.6 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 2 assignments used, quality = 1.00: * HB2 ARG 118 + HA ARG 118 OK 100 100 100 100 2.3-2.6 3.0=100 HG12 ILE 5 - HA ARG 118 far 0 96 0 - 6.8-7.4 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 1 assignment used, quality = 1.00: * HB3 ARG 118 + HA ARG 118 OK 100 100 100 100 2.6-3.0 3.0=100 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 2.8-3.8 3.9=89, 1.8/6856=71...(11) HB2 LEU 114 - HA ARG 118 far 0 98 0 - 7.5-8.1 HD3 LYS 123 - HA ARG 118 far 0 61 0 - 7.8-10.4 Violated in 0 structures by 0.00 A. Peak 6856 from cnoeabs.peaks (1.48, 3.89, 60.17 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 118 + HA ARG 118 OK 100 100 100 100 2.3-3.7 3.9=99, 1.8/6855=78...(12) HD2 LYS 53 - HA ARG 118 far 0 100 0 - 10.0-13.5 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 3.8-4.8 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 4.3-5.5 5.0=100 HB2 ASN 24 - HA ARG 118 far 0 99 0 - 7.3-10.8 HB3 ASN 24 - HA ARG 118 far 0 99 0 - 8.1-10.8 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 2 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 - 7.4-9.8 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 2.3-2.6 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 - 9.8-13.6 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 - 6.7-7.8 HD3 LYS 123 - HB2 ARG 118 far 0 61 0 - 8.4-11.8 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 1 assignment used, quality = 1.00: * HG3 ARG 118 + HB2 ARG 118 OK 100 100 100 100 2.3-2.6 3.0=100 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 2.1-3.8 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 3 assignments used, quality = 1.00: * HD3 ARG 118 + HB2 ARG 118 OK 100 100 100 100 2.3-3.9 3.7=100 HB2 ASN 24 - HB2 ARG 118 far 0 99 0 - 7.4-11.4 HB3 ASN 24 - HB2 ARG 118 far 0 99 0 - 8.3-11.4 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 2.2-2.6 4.1=100 H VAL 22 - HB3 ARG 118 far 0 90 0 - 7.1-10.2 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 3 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 - 9.0-9.6 HG2 ARG 105 - HB3 ARG 118 far 0 98 0 - 9.6-10.9 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 - 5.2-7.0 HD3 LYS 123 - HB3 ARG 118 far 0 61 0 - 8.4-11.9 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 1 assignment used, quality = 1.00: * HG3 ARG 118 + HB3 ARG 118 OK 100 100 100 100 3.0-3.0 3.0=100 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 2.1-3.6 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 3 assignments used, quality = 1.00: * HD3 ARG 118 + HB3 ARG 118 OK 100 100 100 100 2.3-4.0 3.7=100 HB2 ASN 24 - HB3 ARG 118 far 0 99 0 - 8.4-12.2 HB3 ASN 24 - HB3 ARG 118 far 0 99 0 - 9.5-12.7 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 2.3-3.0 1775=100, 1774/3.0=79...(11) H VAL 22 - HG2 ARG 118 far 0 90 0 - 6.9-10.8 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 2.8-3.8 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 HG2 ARG 105 - HG2 ARG 118 far 0 98 0 - 8.5-11.9 HG12 ILE 5 - HG2 ARG 118 far 0 96 0 - 8.6-10.2 HB3 ARG 105 - HG2 ARG 118 far 0 70 0 - 9.8-12.1 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 3 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 - 8.8-13.1 HB2 ARG 105 - HG2 ARG 118 far 0 81 0 - 10.0-12.2 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 1 assignment used, quality = 1.00: * HG3 ARG 118 + HG2 ARG 118 OK 100 100 100 100 1.8-1.8 1.8=100 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 3 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 - 7.9-13.4 HB3 ASN 24 - HG2 ARG 118 far 0 99 0 - 9.1-13.0 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 2.8-4.1 4.5=100 H VAL 22 - HG3 ARG 118 far 0 90 0 - 6.3-11.1 H GLY 26 - HG3 ARG 118 far 0 98 0 - 9.5-13.6 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 2.3-3.7 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 2 assignments used, quality = 1.00: * HB2 ARG 118 + HG3 ARG 118 OK 100 100 100 100 2.3-2.6 3.0=100 HG12 ILE 5 - HG3 ARG 118 far 0 96 0 - 8.5-10.6 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 3.0-3.0 3.0=100 HB2 LYS 20 - HG3 ARG 118 far 0 61 0 - 8.6-13.3 HB3 LYS 20 - HG3 ARG 118 far 0 61 0 - 9.6-14.5 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 - 5.9-8.4 HD3 LYS 123 - HG3 ARG 118 far 0 61 0 - 9.4-12.4 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 3 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 0 99 0 - 6.8-13.0 HB3 ASN 24 - HG3 ARG 118 far 0 99 0 - 7.7-12.0 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 2 assignments used, quality = 1.00: * H ARG 118 + HD2 ARG 118 OK 100 100 100 100 3.6-4.9 1775/3.0=94, 1774/3.7=85...(9) H VAL 22 - HD2 ARG 118 far 0 90 0 - 7.7-10.1 Violated in 0 structures by 0.00 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 3.8-4.8 5.0=100 Violated in 0 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 2.1-3.8 3.7=100 HG2 ARG 105 - HD2 ARG 118 far 0 98 0 - 9.9-13.8 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 2.1-3.6 3.7=100 HB2 LYS 20 - HD2 ARG 118 far 0 61 0 - 8.3-12.5 HB3 LYS 20 - HD2 ARG 118 far 0 61 0 - 9.6-12.8 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 0 98 0 - 4.2-7.1 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 1 assignment used, quality = 1.00: * HG3 ARG 118 + HD2 ARG 118 OK 100 100 100 100 2.4-3.0 3.0=100 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 3 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 - 7.4-12.2 HB3 ASN 24 - HD2 ARG 118 far 0 99 0 - 8.0-12.1 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 2 assignments used, quality = 1.00: * H ARG 118 + HD3 ARG 118 OK 100 100 100 100 3.8-4.9 1775/3.0=92, 1774/3.7=83...(9) H VAL 22 - HD3 ARG 118 far 0 90 0 - 7.2-11.7 Violated in 0 structures by 0.00 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 4.3-5.5 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 2.3-3.9 3.7=100 HG2 ARG 105 - HD3 ARG 118 far 0 98 0 - 9.3-13.7 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 2.3-4.0 3.7=100 HB2 LYS 20 - HD3 ARG 118 far 0 61 0 - 8.1-13.3 HB3 LYS 20 - HD3 ARG 118 far 0 61 0 - 9.3-14.6 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 - 4.8-7.0 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 - 9.6-15.6 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 2.8-2.9 3.0=100 H GLU 119 - HA LYS 123 far 0 60 0 - 8.5-9.3 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): 2 out of 10 assignments used, quality = 0.99: HB3 GLU 119 + HA GLU 119 OK 99 100 100 99 2.4-2.6 3.0=82, 3.0/6926=30...(22) HB3 GLU 92 + HA GLU 92 OK 48 49 100 99 2.3-2.7 3.0=82, 1.8/5854=41...(27) ! HB2 GLU 119 - HA GLU 119 far 5 100 5 - 2.5-3.0 HB2 GLU 91 - HA GLU 92 far 0 52 0 - 3.8-3.8 HG2 GLU 41 - HA LYS 40 far 0 66 0 - 5.5-7.0 HB3 GLU 119 - HA LYS 123 far 0 59 0 - 6.7-7.3 HB2 LEU 38 - HA LYS 40 far 0 95 0 - 7.6-7.8 HB2 GLU 119 - HA LYS 123 far 0 60 0 - 7.8-8.4 HB3 GLU 47 - HA LYS 40 far 0 91 0 - 8.2-10.1 HB2 GLU 21 - HA GLU 119 far 0 100 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 6910 from cnoeabs.peaks (2.11, 4.03, 59.53 ppm; 2.80 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLU 119 + HA GLU 119 OK 99 100 100 99 2.4-2.6 3.0=82, 3.0/6926=30...(22) HB3 GLU 92 + HA GLU 92 OK 53 53 100 100 2.3-2.7 3.0=82, 1.8/5854=41...(27) HB2 GLU 119 - HA GLU 119 far 5 100 5 - 2.5-3.0 HB2 GLU 91 - HA GLU 92 far 0 47 0 - 3.8-3.8 HG2 GLU 41 - HA LYS 40 far 0 55 0 - 5.5-7.0 HB3 GLU 119 - HA LYS 123 far 0 60 0 - 6.7-7.3 HB2 LEU 38 - HA LYS 40 far 0 96 0 - 7.6-7.8 HB2 GLU 119 - HA LYS 123 far 0 59 0 - 7.8-8.4 HB3 GLU 47 - HA LYS 40 far 0 94 0 - 8.2-10.1 HB2 GLU 21 - HA GLU 119 far 0 100 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 6911 from cnoeabs.peaks (2.08, 4.03, 59.53 ppm; 3.33 A increased from 2.81 A): 1 out of 9 assignments used, quality = 0.95: * HG2 GLU 119 + HA GLU 119 OK 95 100 95 100 3.0-3.7 6926=67, 6927/3.0=66...(14) HB3 MET 121 - HA GLU 119 far 0 100 0 - 4.8-5.6 HB2 LYS 94 - HA GLU 92 far 0 55 0 - 5.2-6.8 HB3 GLU 91 - HA GLU 92 far 0 53 0 - 5.4-5.4 HB3 MET 121 - HA LYS 123 far 0 60 0 - 7.5-8.0 HG2 GLU 119 - HA LYS 123 far 0 60 0 - 8.6-10.0 HB3 PHE 79 - HA GLU 119 far 0 100 0 - 9.2-10.1 HB2 GLU 87 - HA GLU 92 far 0 31 0 - 9.3-9.8 HB3 PHE 79 - HA LYS 123 far 0 60 0 - 9.9-10.6 Violated in 1 structures by 0.02 A. Peak 6912 from cnoeabs.peaks (2.46, 4.03, 59.53 ppm; 3.84 A increased from 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 119 + HA GLU 119 OK 100 100 100 100 2.2-3.8 6932=100, 1.8/6911=87...(17) HG3 GLU 41 - HA LYS 40 far 0 96 0 - 5.5-7.2 HG2 GLU 37 - HA LYS 40 far 0 63 0 - 7.0-7.7 HG3 GLU 119 - HA LYS 123 far 0 60 0 - 7.6-9.7 Violated in 1 structures by 0.00 A. Peak 6913 from cnoeabs.peaks (7.92, 2.12, 28.96 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 119 + HB2 GLU 119 OK 100 100 100 100 2.3-2.7 1781=100, 1783/6927=59...(16) H GLU 119 - HB3 GLU 119 far 0 99 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 6914 from cnoeabs.peaks (4.03, 2.12, 28.96 ppm; 2.89 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 119 + HB3 GLU 119 OK 99 99 100 100 2.4-2.6 3.0=89, 6911/3.0=39...(22) HA GLU 92 + HB3 GLU 92 OK 79 79 100 100 2.3-2.7 3.0=89, 5854/1.8=42...(29) ! HA GLU 119 - HB2 GLU 119 far 5 100 5 - 2.5-3.0 HA GLU 92 - HB2 GLU 91 far 0 87 0 - 3.8-3.8 HA PHE 120 - HB2 GLU 119 far 0 99 0 - 4.1-5.6 HA PHE 120 - HB3 GLU 119 far 0 98 0 - 4.1-4.5 HA GLU 87 - HB2 GLU 91 far 0 83 0 - 5.5-5.9 HA LYS 123 - HB3 GLU 119 far 0 99 0 - 6.7-7.3 HA LYS 123 - HB2 GLU 119 far 0 100 0 - 7.8-8.4 HA GLU 87 - HB3 GLU 92 far 0 75 0 - 9.2-9.5 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): 2 out of 15 assignments used, quality = 0.99: * HG2 GLU 119 + HB2 GLU 119 OK 93 100 95 98 2.3-2.6 6927=86, 1783/1781=28...(18) HB3 GLU 91 + HB2 GLU 91 OK 85 85 100 100 1.8-1.8 1.8=100 HG2 GLU 119 - HB3 GLU 119 far 0 99 0 - 3.0-3.0 HB2 LYS 94 - HB2 GLU 91 far 0 86 0 - 4.5-6.2 HB2 GLU 87 - HB2 GLU 91 far 0 53 0 - 5.8-6.3 HB3 MET 121 - HB2 GLU 119 far 0 100 0 - 6.3-7.2 HB3 MET 121 - HB3 GLU 119 far 0 99 0 - 6.7-7.3 HB2 LYS 94 - HB3 GLU 92 far 0 78 0 - 6.7-8.1 HB3 GLU 91 - HB3 GLU 92 far 0 76 0 - 6.8-7.0 HB3 PHE 79 - HB2 GLU 119 far 0 100 0 - 7.5-9.8 HB2 GLU 103 - HB2 GLU 119 far 0 90 0 - 8.3-10.7 HB3 PHE 79 - HB3 GLU 119 far 0 99 0 - 8.5-9.3 HB2 GLU 103 - HB3 GLU 119 far 0 88 0 - 8.6-10.5 HB2 GLU 112 - HB2 GLU 119 far 0 96 0 - 9.1-11.6 HB3 GLU 112 - HB2 GLU 119 far 0 97 0 - 9.9-11.2 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 2.4-3.0 3.0=100 HG3 GLU 119 + HB3 GLU 119 OK 99 99 100 100 2.3-2.6 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): 1 out of 2 assignments used, quality = 0.99: H GLU 119 + HB2 GLU 119 OK 99 99 100 100 2.3-2.7 1782=100, 1783/6928=59...(16) ! H GLU 119 - HB3 GLU 119 far 0 100 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 6920 from cnoeabs.peaks (4.03, 2.11, 28.96 ppm; 2.89 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 119 + HB3 GLU 119 OK 100 100 100 100 2.4-2.6 3.0=89, 6911/3.0=39...(22) HA GLU 92 + HB3 GLU 92 OK 90 90 100 100 2.3-2.7 3.0=89, 5854/1.8=42...(29) HA GLU 119 - HB2 GLU 119 far 5 99 5 - 2.5-3.0 HA GLU 92 - HB2 GLU 91 far 0 75 0 - 3.8-3.8 HA PHE 120 - HB2 GLU 119 far 0 98 0 - 4.1-5.6 HA PHE 120 - HB3 GLU 119 far 0 99 0 - 4.1-4.5 HA GLU 87 - HB2 GLU 91 far 0 71 0 - 5.5-5.9 HA LYS 123 - HB3 GLU 119 far 0 100 0 - 6.7-7.3 HA LYS 123 - HB2 GLU 119 far 0 99 0 - 7.8-8.4 HA GLU 87 - HB3 GLU 92 far 0 86 0 - 9.2-9.5 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): 2 out of 15 assignments used, quality = 0.98: HG2 GLU 119 + HB2 GLU 119 OK 93 99 95 98 2.3-2.6 6928=86, 1783/1782=28...(18) HB3 GLU 91 + HB2 GLU 91 OK 72 72 100 100 1.8-1.8 1.8=100 ! HG2 GLU 119 - HB3 GLU 119 far 0 100 0 - 3.0-3.0 HB2 LYS 94 - HB2 GLU 91 far 0 74 0 - 4.5-6.2 HB2 GLU 87 - HB2 GLU 91 far 0 44 0 - 5.8-6.3 HB3 MET 121 - HB2 GLU 119 far 0 99 0 - 6.3-7.2 HB3 MET 121 - HB3 GLU 119 far 0 100 0 - 6.7-7.3 HB2 LYS 94 - HB3 GLU 92 far 0 89 0 - 6.7-8.1 HB3 GLU 91 - HB3 GLU 92 far 0 87 0 - 6.8-7.0 HB3 PHE 79 - HB2 GLU 119 far 0 99 0 - 7.5-9.8 HB2 GLU 103 - HB2 GLU 119 far 0 88 0 - 8.3-10.7 HB3 PHE 79 - HB3 GLU 119 far 0 100 0 - 8.5-9.3 HB2 GLU 103 - HB3 GLU 119 far 0 90 0 - 8.6-10.5 HB2 GLU 112 - HB2 GLU 119 far 0 94 0 - 9.1-11.6 HB3 GLU 112 - HB2 GLU 119 far 0 96 0 - 9.9-11.2 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 2.3-2.6 3.0=100 HG3 GLU 119 + HB2 GLU 119 OK 99 99 100 100 2.4-3.0 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 2.0-3.0 1783=100, 1782/6928=92...(15) 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 3.0-3.7 6911=100, 3.0/6928=80...(14) HA PHE 120 - HG2 GLU 119 far 0 99 0 - 4.2-6.6 HA LYS 123 - HG2 GLU 119 far 0 100 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 6927 from cnoeabs.peaks (2.12, 2.08, 36.01 ppm; 2.52 A): 1 out of 5 assignments used, quality = 0.96: * HB2 GLU 119 + HG2 GLU 119 OK 96 100 100 96 2.3-2.6 3.0=59, 1781/1783=31...(19) HB3 GLU 119 - HG2 GLU 119 far 0 100 0 - 3.0-3.0 HB VAL 107 - HG2 GLU 119 far 0 100 0 - 8.8-9.5 HB2 GLU 21 - HG2 GLU 119 far 0 100 0 - 9.1-10.0 HG3 GLU 21 - HG2 GLU 119 far 0 84 0 - 9.8-11.3 Violated in 1 structures by 0.00 A. Peak 6928 from cnoeabs.peaks (2.11, 2.08, 36.01 ppm; 2.52 A): 1 out of 5 assignments used, quality = 0.96: HB2 GLU 119 + HG2 GLU 119 OK 96 100 100 96 2.3-2.6 3.0=59, 1782/1783=31...(19) ! HB3 GLU 119 - HG2 GLU 119 far 0 100 0 - 3.0-3.0 HB VAL 107 - HG2 GLU 119 far 0 100 0 - 8.8-9.5 HB2 GLU 21 - HG2 GLU 119 far 0 100 0 - 9.1-10.0 HG3 GLU 21 - HG2 GLU 119 far 0 92 0 - 9.8-11.3 Violated in 1 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 3.1-3.8 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; 3.83 A increased from 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 119 + HG3 GLU 119 OK 100 100 100 100 2.2-3.8 6912=99, 6911/1.8=86...(17) HA PHE 120 - HG3 GLU 119 far 5 99 5 - 3.3-6.5 HA LYS 123 - HG3 GLU 119 far 0 100 0 - 7.6-9.7 Violated in 1 structures by 0.00 A. Peak 6933 from cnoeabs.peaks (2.12, 2.46, 36.01 ppm; 2.73 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 119 + HG3 GLU 119 OK 98 100 100 99 2.3-2.6 3.0=75, ~6928=36...(17) * HB2 GLU 119 + HG3 GLU 119 OK 74 100 75 99 2.4-3.0 3.0=75, 6927/1.8=71...(19) HB VAL 107 - HG3 GLU 119 far 0 100 0 - 8.9-11.3 HB2 GLU 21 - HG3 GLU 119 far 0 100 0 - 9.9-11.8 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 4 assignments used, quality = 1.00: * HB3 GLU 119 + HG3 GLU 119 OK 99 100 100 99 2.3-2.6 3.0=75, ~6928=36...(18) HB2 GLU 119 + HG3 GLU 119 OK 74 100 75 99 2.4-3.0 3.0=75, 6928/1.8=71...(19) HB VAL 107 - HG3 GLU 119 far 0 100 0 - 8.9-11.3 HB2 GLU 21 - HG3 GLU 119 far 0 100 0 - 9.9-11.8 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 6 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 - 7.1-8.5 HB3 PHE 79 - HG3 GLU 119 far 0 100 0 - 7.2-11.0 HB2 GLU 103 - HG3 GLU 119 far 0 90 0 - 7.8-12.2 HB2 GLU 112 - HG3 GLU 119 far 0 96 0 - 7.9-11.9 HB3 GLU 112 - HG3 GLU 119 far 0 97 0 - 9.0-11.7 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 2.8-2.8 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 3.0-3.0 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 2.4-2.5 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 4.2-4.4 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 1.9-2.1 4558=100, 4700/3.0=41...(11) QD TYR 27 - HA PHE 120 far 0 100 0 - 8.9-9.6 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 2.4-2.7 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): 1 out of 3 assignments used, quality = 1.00: * HA PHE 120 + HB2 PHE 120 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 119 - HB2 PHE 120 far 0 99 0 - 5.7-5.9 HA LYS 123 - HB2 PHE 120 far 0 100 0 - 7.9-8.2 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 2.3-2.3 2.4=100 QD TYR 27 - HB2 PHE 120 far 0 100 0 - 7.1-7.8 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 3.6-3.6 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 2.4-2.5 3.0=100 HA GLU 119 - HB3 PHE 120 far 0 99 0 - 6.6-6.6 HA LYS 123 - HB3 PHE 120 far 0 100 0 - 7.0-7.7 HB2 SER 126 - HB3 PHE 120 far 0 100 0 - 9.7-10.9 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 2.7-2.8 2.4=100 QD TYR 27 - HB3 PHE 120 far 0 100 0 - 7.4-8.2 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 - 9.5-10.3 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 3.0-3.2 4.5=100 H LYS 106 - QD PHE 120 far 0 60 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 6978 from cnoeabs.peaks (4.02, 6.79, 129.60 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA PHE 120 + QD PHE 120 OK 100 100 100 100 1.9-2.1 3.7=100 HA GLU 119 - QD PHE 120 far 0 98 0 - 5.4-5.8 HA LYS 123 - QD PHE 120 far 0 99 0 - 6.4-7.1 HB2 SER 126 - QD PHE 120 far 0 100 0 - 9.2-10.5 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 2.3-2.3 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 2.7-2.8 2.4=100 HG3 GLU 112 - QD PHE 120 far 0 98 0 - 8.7-12.0 HG2 GLU 112 - QD PHE 120 far 0 97 0 - 8.8-12.2 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 2.8-2.9 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 2.5-2.7 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 4 assignments used, quality = 1.00: * HB3 MET 121 + HA MET 121 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PHE 79 - HA MET 121 far 0 100 0 - 6.4-7.7 HG2 GLU 119 - HA MET 121 far 0 100 0 - 7.3-9.2 HB2 GLU 103 - HA MET 121 far 0 92 0 - 9.8-11.9 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 5 assignments used, quality = 0.99: * HG2 MET 121 + HA MET 121 OK 99 100 100 99 2.3-3.5 4.1=74, 1797/2.9=53...(13) HB3 LYS 123 - HA MET 121 far 0 100 0 - 5.1-6.9 HB2 LYS 123 - HA MET 121 far 0 70 0 - 5.3-7.0 HB2 GLU 128 - HA MET 121 far 0 73 0 - 7.6-8.9 HB2 LEU 127 - HA MET 121 far 0 73 0 - 7.7-8.9 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 2.1-3.2 4.1=100 HE2 LYS 53 - HA MET 121 far 0 100 0 - 5.8-9.4 Violated in 0 structures by 0.00 A. Peak 6991 from cnoeabs.peaks (1.83, 3.93, 59.78 ppm; 4.62 A increased from 3.89 A): 1 out of 4 assignments used, quality = 1.00: * QE MET 121 + HA MET 121 OK 100 100 100 100 4.2-4.4 7021=100, 7023/3.0=84...(10) HD2 LYS 123 - HA MET 121 far 0 84 0 - 6.3-8.2 HB2 LYS 77 - HA MET 121 far 0 84 0 - 8.2-11.1 HB3 LYS 77 - HA MET 121 far 0 90 0 - 8.5-9.6 Violated in 0 structures by 0.00 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 3.5-3.6 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 2.5-2.7 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 - 7.9-9.2 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 2.3-2.6 3.0=100 HB3 LYS 123 - HB2 MET 121 far 0 100 0 - 7.0-8.7 HB2 LYS 123 - HB2 MET 121 far 0 70 0 - 7.2-8.7 HB2 GLU 128 - HB2 MET 121 far 0 73 0 - 8.7-9.9 HB2 LEU 127 - HB2 MET 121 far 0 73 0 - 9.7-10.7 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 2.6-3.0 3.0=100 HE2 LYS 53 - HB2 MET 121 far 0 100 0 - 6.3-10.3 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 2.2-3.4 7022=100, 7023/1.8=93...(7) HD2 LYS 123 - HB2 MET 121 far 0 84 0 - 7.9-9.9 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 2.2-2.4 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 3.0-3.0 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 5 assignments used, quality = 1.00: * HG2 MET 121 + HB3 MET 121 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 123 - HB3 MET 121 far 0 100 0 - 6.6-8.4 HB2 LYS 123 - HB3 MET 121 far 0 70 0 - 6.8-8.5 HB3 LYS 115 - HB3 MET 121 far 0 70 0 - 9.4-10.6 HB2 LYS 115 - HB3 MET 121 far 0 90 0 - 9.9-10.6 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 0 100 0 - 7.9-11.7 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 2.0-2.6 4.3=100 HD2 LYS 123 - HB3 MET 121 far 0 84 0 - 7.2-9.1 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 3.3-4.2 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 2.3-3.5 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 2.3-2.6 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 2.6-3.0 3.0=100 HB3 PHE 79 - HG2 MET 121 far 0 100 0 - 7.0-9.6 HG2 GLU 119 - HG2 MET 121 far 0 100 0 - 8.0-9.9 HB2 GLN 28 - HG2 MET 121 far 0 77 0 - 9.5-12.3 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 - 5.8-10.0 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 5 assignments used, quality = 1.00: * QE MET 121 + HG2 MET 121 OK 100 100 100 100 2.2-3.4 3.4=100 HD2 LYS 123 - HG2 MET 121 far 0 84 0 - 8.3-10.3 HB2 LYS 77 - HG2 MET 121 far 0 84 0 - 9.7-13.9 HB3 LYS 77 - HG2 MET 121 far 0 90 0 - 9.9-12.3 HB ILE 18 - HG2 MET 121 far 0 94 0 - 9.9-11.4 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 2.4-3.8 1798=100, 1797/1.8=90...(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 2.1-3.2 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 2.6-3.0 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 3 assignments used, quality = 1.00: * HB3 MET 121 + HG3 MET 121 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 79 - HG3 MET 121 far 0 100 0 - 6.4-8.2 HG2 GLU 119 - HG3 MET 121 far 0 100 0 - 6.4-9.8 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 8 assignments used, quality = 1.00: * HG2 MET 121 + HG3 MET 121 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 123 - HG3 MET 121 far 0 100 0 - 7.1-9.1 HB2 LYS 123 - HG3 MET 121 far 0 70 0 - 7.5-9.3 HB2 GLU 128 - HG3 MET 121 far 0 73 0 - 8.4-11.7 HB2 LEU 81 - HG3 MET 121 far 0 100 0 - 8.7-11.3 HB3 LYS 115 - HG3 MET 121 far 0 70 0 - 9.7-12.9 HB2 LEU 127 - HG3 MET 121 far 0 73 0 - 9.8-12.1 HB2 LYS 115 - HG3 MET 121 far 0 90 0 - 10.0-12.7 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 2.4-3.4 3.4=100 HD2 LYS 123 - HG3 MET 121 far 0 84 0 - 7.8-9.8 HB ILE 18 - HG3 MET 121 far 0 94 0 - 9.2-11.7 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 3.3-3.9 1799=100, 1798/3.4=72...(11) Violated in 0 structures by 0.00 A. Peak 7021 from cnoeabs.peaks (3.93, 1.83, 16.54 ppm; 4.40 A increased from 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + QE MET 121 OK 100 100 100 100 4.2-4.4 6991=86, 3.0/7023=79...(10) Violated in 1 structures by 0.00 A. Peak 7022 from cnoeabs.peaks (2.29, 1.83, 16.54 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.99: * HB2 MET 121 + QE MET 121 OK 99 100 100 99 2.2-3.4 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 4 assignments used, quality = 0.97: * HB3 MET 121 + QE MET 121 OK 97 100 100 97 2.0-2.6 1.8/7022=64, 4.3=53...(7) HG2 GLU 119 - QE MET 121 far 0 100 0 - 5.9-6.9 HB3 PHE 79 - QE MET 121 far 0 100 0 - 7.5-8.7 HB2 GLN 28 - QE MET 121 far 0 77 0 - 9.6-10.9 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 8 assignments used, quality = 1.00: * HG2 MET 121 + QE MET 121 OK 100 100 100 100 2.2-3.4 3.4=100 HB3 LYS 115 - QE MET 121 far 0 70 0 - 7.3-9.0 HB2 LYS 115 - QE MET 121 far 0 90 0 - 7.5-8.6 HB3 LYS 123 - QE MET 121 far 0 100 0 - 7.5-9.3 HB2 LYS 123 - QE MET 121 far 0 70 0 - 7.8-9.4 HB2 LEU 81 - QE MET 121 far 0 100 0 - 8.4-9.7 HB3 LYS 17 - QE MET 121 far 0 99 0 - 9.2-10.6 HB2 GLU 128 - QE MET 121 far 0 73 0 - 9.6-11.0 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 2.4-3.4 3.4=100 HE2 LYS 53 - QE MET 121 far 0 100 0 - 7.8-10.7 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 - 9.2-17.0 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 2.3-2.6 3.0=100 * HB2 GLN 122 + HA GLN 122 OK 100 100 100 100 2.7-3.0 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 2.3-2.6 3.0=100 HB2 GLN 122 + HA GLN 122 OK 100 100 100 100 2.7-3.0 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 2.3-3.7 3.9=87, 7053/3.0=73...(11) Violated in 0 structures by 0.00 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 2.5-3.9 3.9=100 HG3 GLN 25 - HA GLN 122 far 0 100 0 - 5.4-9.3 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 2 assignments used, quality = 1.00: * H GLN 122 + HB2 GLN 122 OK 98 100 100 98 2.2-2.7 4.0=64, 8289/8290=44...(9) H GLN 122 + HB3 GLN 122 OK 83 100 85 97 2.3-3.6 4.0=64, 1802/1.8=48...(9) 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 6 assignments used, quality = 1.00: HA GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.3-2.6 3.0=100 * HA GLN 122 + HB2 GLN 122 OK 100 100 100 100 2.7-3.0 3.0=100 HA ALA 124 - HB2 GLN 122 far 0 94 0 - 7.4-8.6 HA ALA 124 - HB3 GLN 122 far 0 94 0 - 7.7-8.7 HA VAL 22 - HB3 GLN 122 far 0 100 0 - 9.5-12.0 HA VAL 22 - HB2 GLN 122 far 0 100 0 - 9.7-11.3 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 2.3-3.0 3.0=100 HG2 GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.7-3.0 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 + HB3 GLN 122 OK 100 100 100 100 2.3-2.6 3.0=100 * HG3 GLN 122 + HB2 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 25 - HB3 GLN 122 far 0 100 0 - 6.3-10.0 HG3 GLN 25 - HB2 GLN 122 far 0 100 0 - 7.1-10.3 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 2 assignments used, quality = 1.00: H GLN 122 + HB2 GLN 122 OK 98 100 100 98 2.2-2.7 4.0=64, 8289/8290=44...(9) * H GLN 122 + HB3 GLN 122 OK 83 100 85 97 2.3-3.6 4.0=64, 1802/1.8=48...(9) 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 6 assignments used, quality = 1.00: * HA GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.3-2.6 3.0=100 HA GLN 122 + HB2 GLN 122 OK 100 100 100 100 2.7-3.0 3.0=100 HA ALA 124 - HB2 GLN 122 far 0 94 0 - 7.4-8.6 HA ALA 124 - HB3 GLN 122 far 0 94 0 - 7.7-8.7 HA VAL 22 - HB3 GLN 122 far 0 100 0 - 9.5-12.0 HA VAL 22 - HB2 GLN 122 far 0 100 0 - 9.7-11.3 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 2.3-3.0 3.0=100 * HG2 GLN 122 + HB3 GLN 122 OK 100 100 100 100 2.7-3.0 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 + HB3 GLN 122 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLN 122 + HB2 GLN 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 25 - HB3 GLN 122 far 0 100 0 - 6.3-10.0 HG3 GLN 25 - HB2 GLN 122 far 0 100 0 - 7.1-10.3 Violated in 0 structures by 0.00 A. Peak 7051 from cnoeabs.peaks (8.05, 2.41, 33.53 ppm; 4.40 A increased from 3.92 A): 1 out of 7 assignments used, quality = 1.00: * H GLN 122 + HG2 GLN 122 OK 100 100 100 100 2.3-4.3 1804=100, 3.0/7031=76...(8) H LYS 65 - HG3 GLN 62 far 0 49 0 - 5.1-6.2 H LYS 65 - HG2 GLN 62 far 0 47 0 - 5.5-7.3 H ASP 109 - HG2 GLN 85 far 0 48 0 - 6.3-10.2 H ASP 109 - HG3 GLN 85 far 0 48 0 - 6.8-10.4 H LEU 90 - HG2 GLN 85 far 0 78 0 - 7.4-10.3 H LEU 90 - HG3 GLN 85 far 0 78 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 7052 from cnoeabs.peaks (4.13, 2.41, 33.53 ppm; 3.65 A increased from 3.43 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 122 + HG2 GLN 122 OK 100 100 100 100 2.3-3.7 7031=96, 3.0/7054=71...(11) HA LEU 63 + HG3 GLN 62 OK 27 76 40 87 3.3-4.2 2.9/7609=26, 11046=25...(12) HA LEU 63 - HG2 GLN 62 far 0 73 0 - 4.6-5.4 HA ALA 124 - HG2 GLN 122 far 0 94 0 - 7.2-8.9 HA VAL 22 - HG2 GLN 122 far 0 100 0 - 8.3-13.3 HA GLU 89 - HG2 GLN 85 far 0 67 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 7053 from cnoeabs.peaks (2.24, 2.41, 33.53 ppm; 2.76 A): 1 out of 3 assignments used, quality = 0.87: * HB2 GLN 122 + HG2 GLN 122 OK 87 100 95 92 2.3-3.0 3.0=78, 3.0/7031=30...(6) HB3 GLN 122 - HG2 GLN 122 far 5 100 5 - 2.7-3.0 HG2 GLU 103 - HG2 GLN 122 far 0 77 0 - 9.9-14.8 Violated in 1 structures by 0.01 A. Peak 7054 from cnoeabs.peaks (2.24, 2.41, 33.53 ppm; 2.76 A): 1 out of 3 assignments used, quality = 0.87: HB2 GLN 122 + HG2 GLN 122 OK 87 100 95 92 2.3-3.0 3.0=78, 3.0/7031=30...(6) ! HB3 GLN 122 - HG2 GLN 122 far 5 100 5 - 2.7-3.0 HG2 GLU 103 - HG2 GLN 122 far 0 77 0 - 9.9-14.8 Violated in 1 structures by 0.01 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 - 6.0-12.3 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 2.1-3.5 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 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7059 from cnoeabs.peaks (8.05, 2.52, 33.53 ppm; 4.73 A increased from 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 122 + HG3 GLN 122 OK 100 100 100 100 3.4-4.6 1805=100, 1804/1.8=90...(9) H VAL 22 - HG3 GLN 25 poor 18 59 30 - 4.6-7.9 H GLN 122 - HG3 GLN 25 far 0 92 0 - 5.3-8.5 H HIS 131 - HG3 GLN 122 far 0 99 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 7060 from cnoeabs.peaks (4.13, 2.52, 33.53 ppm; 3.86 A increased from 3.63 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 122 + HG3 GLN 122 OK 99 100 100 99 2.5-3.9 3.9=99 HA VAL 22 + HG3 GLN 25 OK 57 91 65 95 2.3-5.4 11450/3.0=64...(6) HA GLN 122 - HG3 GLN 25 far 0 92 0 - 5.4-9.3 HA3 GLY 26 - HG3 GLN 25 far 0 83 0 - 6.3-7.6 HA ALA 124 - HG3 GLN 122 far 0 94 0 - 7.7-9.7 HA ALA 124 - HG3 GLN 25 far 0 83 0 - 9.1-12.5 HA VAL 22 - HG3 GLN 122 far 0 100 0 - 9.5-13.3 Violated in 0 structures by 0.00 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: HB3 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-2.6 3.0=100 * HB2 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 - 6.3-10.0 HB2 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.1-10.3 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: * HB3 GLN 122 + HG3 GLN 122 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 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 - 6.3-10.0 HB2 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.1-10.3 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 - 6.0-12.3 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 2.1-3.5 3.5=100 HE21 GLN 122 - HG3 GLN 25 far 0 92 0 - 7.1-12.8 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 3.4-4.1 3.5=100 HE22 GLN 122 - HG3 GLN 25 far 0 92 0 - 6.8-12.9 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 2.8-2.9 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 54 60 95 95 4.0-5.1 1965/2231=71...(9) 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): 1 out of 16 assignments used, quality = 0.89: * HB2 LYS 123 + HA LYS 123 OK 89 100 90 99 2.5-3.0 2.9=88, 1810/3.0=31...(22) HB2 LYS 65 - HA GLU 66 far 0 95 0 - 3.8-4.1 HB3 LYS 65 - HA GLU 66 far 0 95 0 - 4.4-5.4 HB3 LYS 17 - HA GLU 13 far 0 58 0 - 4.7-5.3 HB ILE 15 - HA GLU 13 far 0 38 0 - 4.8-5.1 HB2 LYS 123 - HA GLU 119 far 0 60 0 - 5.4-8.0 HB2 LEU 70 - HA GLU 66 far 0 88 0 - 5.5-6.1 HB3 LYS 115 - HA GLU 119 far 0 60 0 - 6.5-8.7 HB2 LEU 127 - HA LYS 123 far 0 100 0 - 6.8-7.9 HB2 LYS 115 - HA GLU 119 far 0 56 0 - 7.2-8.6 HG2 MET 121 - HA GLU 119 far 0 35 0 - 7.3-8.3 HB3 LYS 39 - HA GLU 66 far 0 72 0 - 8.2-10.4 HB2 LYS 39 - HA GLU 66 far 0 95 0 - 8.5-9.5 HB3 MET 42 - HA GLU 66 far 0 65 0 - 8.5-9.1 HG2 MET 121 - HA LYS 123 far 0 70 0 - 8.7-9.6 HB VAL 104 - HA GLU 92 far 0 76 0 - 9.7-10.8 Violated in 2 structures by 0.02 A. Peak 7070 from cnoeabs.peaks (1.91, 4.03, 59.24 ppm; 3.06 A increased from 2.88 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LYS 123 + HA LYS 123 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 ARG 95 - HA GLU 92 far 0 60 0 - 3.4-4.9 HB3 LYS 65 - HA GLU 66 far 0 54 0 - 4.4-5.4 HB2 LYS 96 - HA GLU 92 far 0 73 0 - 4.6-7.4 HB3 LYS 17 - HA GLU 13 far 0 66 0 - 4.7-5.3 HB ILE 15 - HA GLU 13 far 0 74 0 - 4.8-5.1 HB3 LYS 123 - HA GLU 119 far 0 60 0 - 5.4-7.1 HB2 LEU 127 - HA LYS 123 far 0 61 0 - 6.8-7.9 HB2 LYS 115 - HA GLU 119 far 0 42 0 - 7.2-8.6 HG2 MET 121 - HA GLU 119 far 0 59 0 - 7.3-8.3 HB ILE 71 - HA GLU 66 far 0 58 0 - 8.2-8.6 HB2 GLU 128 - HA LYS 123 far 0 84 0 - 8.4-9.8 HG2 MET 121 - HA LYS 123 far 0 100 0 - 8.7-9.6 HB2 LYS 73 - HA GLU 66 far 0 54 0 - 9.6-10.4 Violated in 0 structures by 0.00 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 2.5-2.8 3.9=100 HG2 LYS 123 - HA GLU 119 far 0 60 0 - 4.4-6.4 HG3 LYS 96 - HA GLU 92 far 0 90 0 - 5.3-7.1 HG LEU 68 - HA GLU 66 far 0 75 0 - 5.8-6.6 HB3 LEU 70 - HA GLU 66 far 0 92 0 - 6.7-7.3 HG2 LYS 115 - HA GLU 119 far 0 42 0 - 6.7-9.8 HD2 LYS 19 - HA GLU 13 far 0 38 0 - 7.0-9.9 HD3 LYS 19 - HA GLU 13 far 0 38 0 - 7.2-10.0 HD3 LYS 106 - HA GLU 92 far 0 73 0 - 7.6-10.7 HD2 LYS 106 - HA GLU 92 far 0 70 0 - 8.2-10.9 HG12 ILE 116 - HA GLU 119 far 0 52 0 - 8.6-9.7 HG12 ILE 3 - HA LYS 123 far 0 81 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 7072 from cnoeabs.peaks (1.70, 4.03, 59.24 ppm; 3.34 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 123 + HA LYS 123 OK 100 100 100 100 2.6-2.8 3.9=64, 2.9/7069=62...(25) HD3 LYS 16 + HA GLU 13 OK 48 62 90 86 1.9-3.7 3699=44, 2.9/11425=41...(7) HD2 LYS 16 - HA GLU 13 far 3 55 5 - 2.7-4.9 HD2 LYS 96 - HA GLU 92 far 0 56 0 - 3.7-8.8 HD3 LYS 96 - HA GLU 92 far 0 63 0 - 3.9-8.5 HD2 LYS 17 - HA GLU 13 far 0 41 0 - 3.9-5.1 HG3 LYS 123 - HA GLU 119 far 0 60 0 - 4.2-7.2 HD3 LYS 39 - HA GLU 66 far 0 91 0 - 7.5-12.0 HG12 ILE 71 - HA GLU 66 far 0 92 0 - 7.6-8.0 HD2 LYS 39 - HA GLU 66 far 0 90 0 - 7.9-10.5 HG3 LYS 39 - HA GLU 66 far 0 95 0 - 7.9-11.0 HD3 LYS 73 - HA GLU 66 far 0 69 0 - 8.3-11.0 HD3 LYS 20 - HA GLU 13 far 0 58 0 - 8.6-12.4 HD3 LYS 96 - HA GLU 66 far 0 65 0 - 9.5-15.5 HD2 LYS 73 - HA GLU 66 far 0 72 0 - 9.7-11.9 HD2 LYS 20 - HA GLU 13 far 0 60 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 7073 from cnoeabs.peaks (1.84, 4.03, 59.24 ppm; 3.56 A): 0 out of 10 assignments used, quality = 0.00: HG LEU 70 - HA GLU 66 far 0 92 0 - 3.8-4.8 ! HD2 LYS 123 - HA LYS 123 far 0 100 0 - 4.4-4.7 HD2 LYS 123 - HA GLU 119 far 0 60 0 - 4.4-6.5 HG LEU 127 - HA LYS 123 far 0 77 0 - 4.6-5.8 QE MET 121 - HA GLU 119 far 0 44 0 - 5.4-6.2 HB3 LYS 19 - HA GLU 13 far 0 65 0 - 7.7-8.0 QE MET 121 - HA LYS 123 far 0 84 0 - 8.3-9.1 HB2 LYS 77 - HA LYS 123 far 0 100 0 - 8.9-10.8 HB3 LYS 77 - HA LYS 123 far 0 100 0 - 9.0-10.2 HB2 ARG 105 - HA GLU 119 far 0 42 0 - 9.7-10.7 Violated in 15 structures by 0.08 A. Peak 7074 from cnoeabs.peaks (1.75, 4.03, 59.24 ppm; 3.97 A increased from 3.53 A): 1 out of 10 assignments used, quality = 0.43: HG2 LYS 17 + HA GLU 13 OK 43 68 100 63 3.4-3.8 1116/1989=51...(3) HG2 ARG 118 - HA GLU 119 poor 9 30 30 - 3.5-6.6 HD3 LYS 123 - HA GLU 119 far 0 60 0 - 4.4-7.3 ! HD3 LYS 123 - HA LYS 123 far 0 100 0 - 4.4-4.7 HB2 LEU 68 - HA GLU 66 far 0 95 0 - 5.1-5.5 HB3 LYS 94 - HA GLU 92 far 0 73 0 - 5.2-7.1 HG12 ILE 18 - HA GLU 13 far 0 44 0 - 7.4-7.7 HG2 ARG 118 - HA LYS 123 far 0 61 0 - 9.6-12.3 HG3 ARG 105 - HA GLU 119 far 0 58 0 - 9.9-11.3 HB2 LEU 114 - HA GLU 119 far 0 44 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 7077 from cnoeabs.peaks (8.40, 1.93, 32.31 ppm; 4.00 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.3-3.6 3.7=100 H MET 67 - HB2 LYS 65 far 0 98 0 - 4.6-5.0 H MET 67 - HB3 LYS 65 far 0 97 0 - 5.3-5.7 H ASP 36 - HB3 LYS 39 far 0 27 0 - 5.4-6.1 H ASP 36 - HB2 LYS 39 far 0 53 0 - 7.0-7.6 H ASP 36 - HB3 LYS 40 far 0 57 0 - 7.1-8.6 H MET 67 - HB3 LYS 39 far 0 33 0 - 8.3-10.1 H MET 67 - HB2 LYS 39 far 0 65 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 7078 from cnoeabs.peaks (4.03, 1.93, 32.31 ppm; 2.88 A): 2 out of 14 assignments used, quality = 0.97: * HA LYS 123 + HB2 LYS 123 OK 90 100 90 100 2.5-3.0 7069=100, 3.0/1810=34...(22) HA LYS 40 + HB3 LYS 40 OK 72 73 100 99 2.3-2.7 3.0=88, 3653/2.7=41...(15) HA PHE 120 - HB2 LYS 123 far 10 100 10 - 2.7-4.5 HA GLU 66 - HB2 LYS 65 far 0 100 0 - 3.8-4.1 HA LYS 40 - HB3 LYS 39 far 0 35 0 - 4.0-5.4 HA GLU 66 - HB3 LYS 65 far 0 100 0 - 4.4-5.4 HB2 SER 126 - HB2 LYS 123 far 0 100 0 - 4.5-6.7 HA LYS 40 - HB2 LYS 39 far 0 68 0 - 4.6-5.0 HA GLU 119 - HB2 LYS 123 far 0 100 0 - 5.4-8.0 HB3 SER 126 - HB2 LYS 123 far 0 99 0 - 5.6-7.2 HA GLU 119 - HB3 LYS 115 far 0 94 0 - 6.5-8.7 HA GLU 119 - HB2 LYS 115 far 0 87 0 - 7.2-8.6 HA GLU 66 - HB3 LYS 39 far 0 36 0 - 8.2-10.4 HA GLU 66 - HB2 LYS 39 far 0 69 0 - 8.5-9.5 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 20 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 HB2 LYS 43 - HB3 LYS 40 far 0 68 0 - 4.6-5.3 HB2 LYS 43 - HB2 LYS 39 far 0 63 0 - 5.3-6.4 HB2 LYS 44 - HB3 LYS 40 far 0 73 0 - 5.4-7.8 HB2 LYS 43 - HB3 LYS 39 far 0 33 0 - 5.5-7.3 HB3 LYS 43 - HB3 LYS 40 far 0 55 0 - 6.0-6.9 HB3 LYS 43 - HB2 LYS 39 far 0 51 0 - 6.2-7.4 HB2 LEU 127 - HB2 LYS 123 far 0 61 0 - 6.3-7.7 HB2 LYS 96 - HB3 LYS 65 far 0 83 0 - 6.6-9.2 HB3 LYS 43 - HB3 LYS 39 far 0 25 0 - 6.6-8.4 HB3 LYS 44 - HB3 LYS 40 far 0 66 0 - 6.9-8.7 HG2 MET 121 - HB2 LYS 123 far 0 100 0 - 7.6-10.1 HB2 LYS 96 - HB2 LYS 65 far 0 83 0 - 8.0-10.3 HB2 LYS 44 - HB3 LYS 39 far 0 35 0 - 9.1-10.8 HB2 GLU 128 - HB2 LYS 123 far 0 84 0 - 9.2-10.0 HB2 LYS 44 - HB2 LYS 39 far 0 68 0 - 9.3-10.2 HB ILE 71 - HB3 LYS 65 far 0 64 0 - 9.6-10.9 HB2 LEU 45 - HB2 LYS 39 far 0 58 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 7081 from cnoeabs.peaks (1.57, 1.93, 32.31 ppm; 3.01 A increased from 2.83 A): 3 out of 15 assignments used, quality = 1.00: * HG2 LYS 123 + HB2 LYS 123 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 115 + HB3 LYS 115 OK 72 72 100 100 2.2-3.0 3.0=100 HG2 LYS 115 + HB2 LYS 115 OK 64 64 100 100 2.3-3.0 3.0=100 HG12 ILE 116 - HB3 LYS 115 far 0 86 0 - 3.5-6.9 HG12 ILE 116 - HB2 LYS 115 far 0 78 0 - 3.6-6.8 HG2 LYS 44 - HB3 LYS 40 far 0 68 0 - 4.4-7.3 HG LEU 68 - HB3 LYS 65 far 0 83 0 - 4.7-6.3 HG LEU 68 - HB2 LYS 65 far 0 83 0 - 5.2-6.5 HB3 LEU 70 - HB2 LYS 39 far 0 66 0 - 6.6-7.7 HB3 LEU 70 - HB3 LYS 39 far 0 34 0 - 7.7-9.2 HG3 LYS 96 - HB3 LYS 65 far 0 98 0 - 7.9-9.5 HG2 LYS 44 - HB3 LYS 39 far 0 33 0 - 8.1-10.1 HG12 ILE 3 - HB2 LYS 123 far 0 81 0 - 8.1-9.9 HG2 LYS 44 - HB2 LYS 39 far 0 63 0 - 8.4-10.0 HG3 LYS 96 - HB2 LYS 65 far 0 98 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 7082 from cnoeabs.peaks (1.70, 1.93, 32.31 ppm; 2.70 A): 4 out of 24 assignments used, quality = 0.97: * HG3 LYS 123 + HB2 LYS 123 OK 89 100 90 99 2.3-3.0 2.9=77, 7114/7084=44...(21) HD2 LYS 40 + HB3 LYS 40 OK 38 44 90 98 2.0-3.5 3701=52, 3700/1.8=27...(41) HG3 LYS 39 + HB3 LYS 39 OK 35 36 100 97 2.4-2.5 2.9=80, 1244/1241=30...(20) HD2 LYS 39 + HB2 LYS 39 OK 21 63 35 94 2.3-3.8 3.5=45, 3621/1.8=19...(31) HD3 LYS 39 - HB3 LYS 39 poor 13 33 40 - 2.4-3.8 HD2 LYS 39 - HB3 LYS 39 poor 10 33 30 - 2.2-3.7 HD3 LYS 39 - HB2 LYS 39 far 3 65 5 - 2.2-3.8 HD3 LYS 40 - HB3 LYS 40 far 0 41 0 - 2.9-4.2 HG3 LYS 39 - HB2 LYS 39 far 0 69 0 - 3.0-3.0 HD2 LYS 40 - HB2 LYS 39 far 0 40 0 - 4.1-8.4 HD3 LYS 43 - HB2 LYS 39 far 0 46 0 - 4.6-6.9 HG3 LYS 39 - HB3 LYS 40 far 0 74 0 - 4.8-7.4 HD3 LYS 44 - HB3 LYS 40 far 0 72 0 - 5.2-9.1 HD3 LYS 40 - HB2 LYS 39 far 0 38 0 - 5.3-8.3 HD3 LYS 96 - HB3 LYS 65 far 0 72 0 - 5.3-11.2 HD3 LYS 43 - HB3 LYS 40 far 0 49 0 - 5.9-8.8 HD3 LYS 43 - HB3 LYS 39 far 0 23 0 - 5.9-8.2 HD2 LYS 96 - HB3 LYS 65 far 0 64 0 - 6.2-10.9 HD3 LYS 39 - HB3 LYS 40 far 0 69 0 - 6.4-9.5 HD2 LYS 44 - HB3 LYS 40 far 0 73 0 - 6.5-8.9 HD3 LYS 96 - HB2 LYS 65 far 0 73 0 - 6.7-12.3 HD2 LYS 39 - HB3 LYS 40 far 0 68 0 - 7.1-9.3 HD2 LYS 96 - HB2 LYS 65 far 0 65 0 - 7.8-12.1 HD3 LYS 44 - HB3 LYS 39 far 0 35 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 7083 from cnoeabs.peaks (1.84, 1.93, 32.31 ppm; 2.40 A): 0 out of 13 assignments used, quality = 0.00: ! HD2 LYS 123 - HB2 LYS 123 far 0 100 0 - 2.9-3.3 HG LEU 127 - HB2 LYS 123 far 0 77 0 - 4.2-5.8 HG LEU 70 - HB2 LYS 39 far 0 66 0 - 6.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 34 0 - 6.9-8.7 HB2 LYS 77 - HB2 LYS 123 far 0 100 0 - 7.1-9.3 HB3 LYS 77 - HB2 LYS 123 far 0 100 0 - 7.2-8.6 QE MET 121 - HB3 LYS 115 far 0 75 0 - 7.3-9.0 QE MET 121 - HB2 LYS 115 far 0 68 0 - 7.5-8.6 HG LEU 70 - HB2 LYS 65 far 0 98 0 - 7.6-8.8 QE MET 121 - HB2 LYS 123 far 0 84 0 - 7.8-9.4 HB2 ARG 105 - HB2 LYS 115 far 0 64 0 - 8.1-11.4 HG LEU 70 - HB3 LYS 65 far 0 98 0 - 8.2-9.8 HB2 ARG 105 - HB3 LYS 115 far 0 72 0 - 8.3-10.8 Violated in 20 structures by 0.66 A. Peak 7084 from cnoeabs.peaks (1.75, 1.93, 32.31 ppm; 3.06 A increased from 2.88 A): 1 out of 12 assignments used, quality = 0.90: * HD3 LYS 123 + HB2 LYS 123 OK 90 100 90 100 2.2-3.2 7129=98, 7130/1.8=68...(32) HG2 ARG 118 - HB3 LYS 115 far 0 54 0 - 3.5-6.3 HB2 LEU 114 - HB2 LYS 115 far 0 68 0 - 4.0-5.4 HG2 ARG 118 - HB2 LYS 115 far 0 48 0 - 4.2-6.4 HB2 LEU 68 - HB3 LYS 65 far 0 100 0 - 4.4-5.9 HB2 LEU 114 - HB3 LYS 115 far 0 75 0 - 4.5-5.6 HB2 LEU 68 - HB2 LYS 65 far 0 100 0 - 5.2-5.7 HG3 ARG 105 - HB2 LYS 115 far 0 86 0 - 7.9-12.5 HG3 ARG 105 - HB3 LYS 115 far 0 93 0 - 8.5-12.3 HG12 ILE 18 - HB2 LYS 115 far 0 55 0 - 8.9-9.7 HG12 ILE 18 - HB3 LYS 115 far 0 61 0 - 9.0-10.5 HB2 LEU 80 - HB3 LYS 65 far 0 98 0 - 9.6-10.2 Violated in 2 structures by 0.02 A. Peak 7085 from cnoeabs.peaks (3.01, 1.93, 32.31 ppm; 4.82 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 123 + HB2 LYS 123 OK 99 99 100 100 4.2-4.8 7142/2.9=94, 3.0/7084=93...(22) * HE2 LYS 123 + HB2 LYS 123 OK 70 100 70 100 4.5-5.1 3.0/7084=93, 3.0/7119=91...(24) HE2 LYS 123 - HB3 LYS 115 far 0 95 0 - 9.4-13.2 HE2 LYS 123 - HB2 LYS 115 far 0 88 0 - 9.7-13.5 HE3 LYS 123 - HB3 LYS 115 far 0 93 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 7086 from cnoeabs.peaks (3.01, 1.93, 32.31 ppm; 4.78 A increased from 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 123 + HB2 LYS 123 OK 100 100 100 100 4.2-4.8 7152/2.9=93, 3.0/7084=93...(22) HE2 LYS 123 + HB2 LYS 123 OK 70 99 70 100 4.5-5.1 3.0/7084=93, 3.0/7119=90...(24) HE2 LYS 123 - HB3 LYS 115 far 0 93 0 - 9.4-13.2 HE2 LYS 123 - HB2 LYS 115 far 0 86 0 - 9.7-13.5 HE3 LYS 123 - HB3 LYS 115 far 0 95 0 - 9.9-12.6 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 2.3-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 7088 from cnoeabs.peaks (4.03, 1.91, 32.31 ppm; 3.01 A increased from 2.84 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 123 + HB3 LYS 123 OK 100 100 100 100 2.6-3.0 2.9=100 HA PHE 120 + HB3 LYS 123 OK 78 100 90 87 2.5-4.5 8299=35, 7128/7130=31...(8) HA GLU 92 - HB2 LYS 96 far 0 39 0 - 4.6-7.4 HB2 SER 126 - HB3 LYS 123 far 0 100 0 - 4.9-6.4 HA GLU 119 - HB3 LYS 123 far 0 100 0 - 5.4-7.1 HA LYS 40 - HB2 LYS 44 far 0 71 0 - 5.5-7.2 HB3 SER 126 - HB3 LYS 123 far 0 99 0 - 6.0-8.2 HA LYS 40 - HB3 LYS 44 far 0 60 0 - 7.1-8.4 HA GLU 119 - HB2 LYS 115 far 0 55 0 - 7.2-8.6 HA3 GLY 75 - HB2 LYS 49 far 0 34 0 - 10.0-18.2 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 21 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 GLU 41 - HB2 LYS 44 far 0 49 0 - 4.4-5.1 HB3 LYS 40 - HB2 LYS 44 far 0 59 0 - 5.4-7.8 HB2 GLU 41 - HB2 LYS 44 far 0 46 0 - 5.5-6.2 HB2 LEU 127 - HB3 LYS 123 far 0 100 0 - 5.9-8.2 HB3 GLU 52 - HB2 LYS 49 far 0 24 0 - 6.0-12.3 HB3 GLU 41 - HB3 LYS 44 far 0 40 0 - 6.0-6.7 HB3 LYS 65 - HB2 LYS 96 far 0 43 0 - 6.6-9.2 HB3 MET 42 - HB2 LYS 44 far 0 46 0 - 6.6-7.1 HB3 LYS 40 - HB3 LYS 44 far 0 49 0 - 6.9-8.7 HB2 GLU 41 - HB3 LYS 44 far 0 38 0 - 6.9-7.8 HG2 MET 121 - HB3 LYS 123 far 0 70 0 - 7.4-9.2 HB2 LYS 65 - HB2 LYS 96 far 0 43 0 - 8.0-10.3 HB3 GLU 52 - HB3 LYS 44 far 0 33 0 - 8.1-10.8 HB3 MET 42 - HB3 LYS 44 far 0 38 0 - 8.2-8.6 HB3 GLU 52 - HB2 LYS 44 far 0 40 0 - 8.6-11.0 HB VAL 104 - HB2 LYS 96 far 0 32 0 - 8.7-9.5 HB3 LYS 39 - HB2 LYS 44 far 0 51 0 - 9.1-10.8 HB2 LYS 39 - HB2 LYS 44 far 0 72 0 - 9.3-10.2 HB3 GLU 41 - HB2 LYS 49 far 0 30 0 - 9.9-17.0 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): 4 out of 11 assignments used, quality = 0.99: * HG2 LYS 123 + HB3 LYS 123 OK 90 100 90 100 2.3-3.0 2.9=88, 2.9/7093=52...(26) HG2 LYS 44 + HB2 LYS 44 OK 67 67 100 100 2.6-2.7 2.9=88, 3954/3.7=35...(45) HG3 LYS 96 + HB2 LYS 96 OK 41 41 100 100 2.4-2.7 2.9=93, 6076/3.0=26...(26) HG2 LYS 115 + HB2 LYS 115 OK 26 38 70 99 2.3-3.0 3.0=87, 6703/3.0=20...(42) HG2 LYS 44 - HB3 LYS 44 far 0 56 0 - 3.0-3.0 HG12 ILE 116 - HB2 LYS 115 far 0 47 0 - 3.6-6.8 HG2 LYS 44 - HB2 LYS 49 far 0 43 0 - 5.7-13.9 HG12 ILE 3 - HB3 LYS 123 far 0 81 0 - 8.1-9.9 HG LEU 68 - HB2 LYS 96 far 0 31 0 - 9.2-11.9 HD3 LYS 106 - HB2 LYS 96 far 0 31 0 - 9.7-13.6 HB3 LEU 70 - HB2 LYS 44 far 0 70 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7092 from cnoeabs.peaks (1.70, 1.91, 32.31 ppm; 2.66 A): 1 out of 22 assignments used, quality = 0.61: HD2 LYS 44 + HB3 LYS 44 OK 61 61 100 100 2.1-2.6 3952=100, 3951/3902=26...(51) ! HG3 LYS 123 - HB3 LYS 123 far 10 100 10 - 2.6-3.0 HD3 LYS 44 - HB3 LYS 44 far 0 60 0 - 2.8-3.7 HD2 LYS 44 - HB2 LYS 44 far 0 72 0 - 3.4-3.7 HD3 LYS 96 - HB2 LYS 96 far 0 26 0 - 3.5-4.2 HD2 LYS 96 - HB2 LYS 96 far 0 22 0 - 3.6-3.8 HD2 LYS 44 - HB2 LYS 49 far 0 46 0 - 3.7-12.6 HD3 LYS 44 - HB2 LYS 44 far 0 71 0 - 3.7-4.2 HD3 LYS 44 - HB2 LYS 49 far 0 45 0 - 4.4-14.3 HD3 LYS 40 - HB2 LYS 44 far 0 40 0 - 6.1-10.3 HD3 LYS 40 - HB3 LYS 44 far 0 33 0 - 6.5-11.0 HD2 LYS 40 - HB2 LYS 44 far 0 43 0 - 6.6-9.0 HB ILE 54 - HB2 LYS 44 far 0 43 0 - 6.6-8.8 HB ILE 54 - HB3 LYS 44 far 0 35 0 - 7.2-9.2 HD2 LYS 40 - HB3 LYS 44 far 0 35 0 - 7.6-9.9 HD3 LYS 43 - HB2 LYS 44 far 0 49 0 - 7.6-9.0 HB ILE 54 - HB2 LYS 49 far 0 26 0 - 7.7-14.6 HD3 LYS 43 - HB3 LYS 44 far 0 40 0 - 8.2-9.8 HG3 LYS 39 - HB2 LYS 44 far 0 72 0 - 9.3-11.4 HD3 LYS 43 - HB2 LYS 49 far 0 30 0 - 9.6-16.0 HG LEU 74 - HB2 LYS 49 far 0 45 0 - 9.7-15.8 HG12 ILE 71 - HB2 LYS 44 far 0 70 0 - 9.9-12.1 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 = 0.78: * HD2 LYS 123 + HB3 LYS 123 OK 78 100 80 98 2.1-2.9 7120=50, 1.8/7130=41...(30) HG LEU 127 - HB3 LYS 123 far 0 77 0 - 3.8-6.1 HB2 LYS 77 - HB3 LYS 123 far 0 100 0 - 6.8-9.5 QE MET 121 - HB2 LYS 115 far 0 40 0 - 7.5-8.6 QE MET 121 - HB3 LYS 123 far 0 84 0 - 7.5-9.3 HB3 LYS 77 - HB3 LYS 123 far 0 100 0 - 7.6-8.9 HB2 ARG 105 - HB2 LYS 115 far 0 38 0 - 8.1-11.4 Violated in 4 structures by 0.09 A. Peak 7094 from cnoeabs.peaks (1.75, 1.91, 32.31 ppm; 2.77 A): 1 out of 12 assignments used, quality = 0.43: HB3 LYS 49 + HB2 LYS 49 OK 43 43 100 100 1.8-1.8 1.8=100 ! HD3 LYS 123 - HB3 LYS 123 far 15 100 15 - 2.2-3.2 HB2 LEU 114 - HB2 LYS 115 far 0 40 0 - 4.0-5.4 HG2 ARG 118 - HB2 LYS 115 far 0 27 0 - 4.2-6.4 HB3 LYS 49 - HB3 LYS 44 far 0 56 0 - 4.4-12.2 HB3 LYS 49 - HB2 LYS 44 far 0 67 0 - 4.8-12.9 HB3 LYS 94 - HB2 LYS 96 far 0 31 0 - 6.3-8.3 HG3 ARG 105 - HB2 LYS 115 far 0 53 0 - 7.9-12.5 HB2 LEU 68 - HB2 LYS 96 far 0 43 0 - 8.4-11.0 HG2 ARG 118 - HB3 LYS 123 far 0 61 0 - 8.6-12.7 HG12 ILE 18 - HB2 LYS 115 far 0 31 0 - 8.9-9.7 HB3 LEU 82 - HB2 LYS 96 far 0 32 0 - 10.0-11.2 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 11 assignments used, quality = 1.00: HE3 LYS 123 + HB3 LYS 123 OK 99 99 100 100 4.1-4.7 3.0/7093=99, 7142/2.9=95...(19) * HE2 LYS 123 + HB3 LYS 123 OK 90 100 90 100 3.9-5.1 3.0/7093=99, 3.0/7130=95...(21) HE2 LYS 49 + HB2 LYS 49 OK 44 46 95 100 2.4-5.1 5.1=88, 3.8/4140=44...(27) HE3 LYS 49 + HB2 LYS 49 OK 42 46 90 100 2.2-5.5 5.1=88, 3.8/4140=44...(27) HE3 LYS 49 - HB2 LYS 44 far 4 72 5 - 4.4-16.1 HE3 LYS 49 - HB3 LYS 44 far 3 61 5 - 3.9-14.7 HE2 LYS 49 - HB3 LYS 44 far 3 61 5 - 5.0-14.3 HE2 LYS 49 - HB2 LYS 44 far 0 72 0 - 5.3-15.2 HB2 PHE 51 - HB2 LYS 49 far 0 32 0 - 6.2-10.7 HE2 LYS 94 - HB2 LYS 96 far 0 40 0 - 7.6-11.5 HE2 LYS 123 - HB2 LYS 115 far 0 55 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 7096 from cnoeabs.peaks (3.01, 1.91, 32.31 ppm; 4.61 A increased from 4.10 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 123 + HB3 LYS 123 OK 100 100 100 100 4.1-4.7 3.0/7093=97, 7152/2.9=91...(19) HE2 LYS 123 + HB3 LYS 123 OK 89 99 90 100 3.9-5.1 3.0/7093=97, 3.0/7130=90...(21) HE3 LYS 49 + HB2 LYS 49 OK 37 44 85 100 2.2-5.5 5.1=73, 3.8/4140=40...(27) HE2 LYS 49 + HB2 LYS 49 OK 31 44 70 100 2.4-5.1 5.1=73, 3.8/4140=40...(27) HE3 LYS 49 - HB2 LYS 44 far 3 68 5 - 4.4-16.1 HE3 LYS 49 - HB3 LYS 44 far 3 58 5 - 3.9-14.7 HE2 LYS 49 - HB3 LYS 44 far 0 58 0 - 5.0-14.3 HE2 LYS 49 - HB2 LYS 44 far 0 68 0 - 5.3-15.2 HB2 PHE 51 - HB2 LYS 49 far 0 24 0 - 6.2-10.7 HE2 LYS 94 - HB2 LYS 96 far 0 35 0 - 7.6-11.5 HE2 LYS 123 - HB2 LYS 115 far 0 53 0 - 9.7-13.5 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 2.5-4.0 1812=100, 7107/1.8=84...(14) Violated in 0 structures by 0.00 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 2.5-2.8 3.9=100 HA PHE 120 + HG2 LYS 123 OK 85 100 85 100 3.7-5.2 7128/2.9=82, 8299/2.9=79...(6) HA GLU 119 - HG2 LYS 123 poor 16 100 75 22 4.4-6.4 1809/1812=17, 7118/2.9=5 HB2 SER 126 - HG2 LYS 123 far 0 100 0 - 5.5-6.7 HB3 SER 126 - HG2 LYS 123 far 0 99 0 - 6.3-8.2 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 3 assignments used, quality = 1.00: * HB2 LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 127 - HG2 LYS 123 far 0 100 0 - 8.1-10.0 HG2 MET 121 - HG2 LYS 123 far 0 70 0 - 9.0-10.5 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 3 assignments used, quality = 1.00: * HB3 LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 127 - HG2 LYS 123 far 0 61 0 - 8.1-10.0 HG2 MET 121 - HG2 LYS 123 far 0 100 0 - 9.0-10.5 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 5 assignments used, quality = 1.00: * HD2 LYS 123 + HG2 LYS 123 OK 100 100 100 100 2.4-2.6 2.9=100 HG LEU 127 - HG2 LYS 123 far 0 77 0 - 5.7-7.8 QE MET 121 - HG2 LYS 123 far 0 84 0 - 8.1-9.9 HB2 LYS 77 - HG2 LYS 123 far 0 100 0 - 9.0-11.9 HB3 LYS 77 - HG2 LYS 123 far 0 100 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 7104 from cnoeabs.peaks (1.75, 1.57, 25.68 ppm; 3.09 A increased from 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 123 + HG2 LYS 123 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 ARG 118 - HG2 LYS 123 far 0 61 0 - 7.9-12.7 Violated in 0 structures by 0.00 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 2.1-3.9 3.9=100 HE3 LYS 123 + HG2 LYS 123 OK 99 99 100 100 2.3-3.0 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 2.3-3.0 3.9=100 HE2 LYS 123 + HG2 LYS 123 OK 99 99 100 100 2.1-3.9 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): 1 out of 3 assignments used, quality = 1.00: * H LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.7-4.0 1813=99, 1811/2.9=75...(15) H ASP 36 - HG3 LYS 39 far 0 53 0 - 4.6-5.4 H MET 67 - HG3 LYS 39 far 0 64 0 - 7.6-10.6 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 2.6-2.8 3.9=100 HA LYS 40 + HG3 LYS 39 OK 20 67 30 100 3.5-6.2 3.0/223=75, ~1252=45...(11) HA PHE 120 - HG3 LYS 123 poor 20 100 20 - 4.3-5.4 HA GLU 119 - HG3 LYS 123 far 15 100 15 - 4.2-7.2 HB2 SER 126 - HG3 LYS 123 far 0 100 0 - 5.2-6.9 HB3 SER 126 - HG3 LYS 123 far 0 99 0 - 5.9-8.3 HA GLU 66 - HG3 LYS 39 far 0 68 0 - 7.9-11.0 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 2.3-3.0 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 68 68 100 100 3.0-3.0 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 48 48 100 100 2.4-2.5 2.9=100 HB3 LYS 40 - HG3 LYS 39 far 0 55 0 - 4.8-7.4 HB3 MET 42 - HG3 LYS 39 far 0 43 0 - 5.5-6.1 HB2 GLU 41 - HG3 LYS 39 far 0 43 0 - 6.4-8.1 HB2 LEU 70 - HG3 LYS 39 far 0 61 0 - 7.7-10.1 HB3 GLU 41 - HG3 LYS 39 far 0 45 0 - 7.9-9.3 HB2 LEU 127 - HG3 LYS 123 far 0 100 0 - 8.4-9.9 HG2 MET 121 - HG3 LYS 123 far 0 70 0 - 8.7-11.1 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 6 assignments used, quality = 1.00: * HB3 LYS 123 + HG3 LYS 123 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 LYS 43 - HG3 LYS 39 far 0 63 0 - 5.4-8.4 HB3 LYS 43 - HG3 LYS 39 far 0 50 0 - 6.7-9.7 HB2 LEU 127 - HG3 LYS 123 far 0 61 0 - 8.4-9.9 HG2 MET 121 - HG3 LYS 123 far 0 100 0 - 8.7-11.1 HB2 LYS 44 - HG3 LYS 39 far 0 67 0 - 9.3-11.4 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 3 assignments used, quality = 1.00: * HG2 LYS 123 + HG3 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 70 - HG3 LYS 39 far 0 65 0 - 7.7-9.9 HG2 LYS 44 - HG3 LYS 39 far 0 63 0 - 7.8-11.2 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 - 6.1-7.8 HG LEU 70 - HG3 LYS 39 far 0 65 0 - 6.9-9.7 QE MET 121 - HG3 LYS 123 far 0 84 0 - 7.7-9.9 HB2 LYS 77 - HG3 LYS 123 far 0 100 0 - 9.3-11.7 HB3 LYS 77 - HG3 LYS 123 far 0 100 0 - 9.7-11.1 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 2 assignments used, quality = 0.99: * HD3 LYS 123 + HG3 LYS 123 OK 99 100 100 99 2.3-2.5 7132=90, 3.0/7152=31...(23) HG2 ARG 118 - HG3 LYS 123 far 0 61 0 - 9.5-12.7 Violated in 4 structures by 0.02 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 2.7-3.8 3.9=100 HE3 LYS 123 + HG3 LYS 123 OK 99 99 100 100 2.2-3.0 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 2.2-3.0 7152=100, 3.0/7114=83...(25) HE2 LYS 123 + HG3 LYS 123 OK 99 99 100 100 2.7-3.8 3.9=98, 1.8/7142=93...(26) 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 4.4-4.7 4.6=100 HA PHE 120 + HD2 LYS 123 OK 100 100 100 100 2.0-4.1 11470=100, 7128/1.8=93...(7) HA GLU 119 - HD2 LYS 123 poor 16 100 40 40 4.4-6.5 ~11213=17, 1809/1814=16...(4) HB2 SER 126 - HD2 LYS 123 far 0 100 0 - 7.3-8.1 HB3 SER 126 - HD2 LYS 123 far 0 99 0 - 8.3-9.8 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 3 assignments used, quality = 1.00: * HB2 LYS 123 + HD2 LYS 123 OK 100 100 100 100 2.9-3.3 1.8/7093=91, 7084/1.8=75...(33) HG2 MET 121 - HD2 LYS 123 far 0 70 0 - 8.3-10.3 HB2 LEU 127 - HD2 LYS 123 far 0 100 0 - 8.4-10.3 Violated in 1 structures by 0.00 A. Peak 7120 from cnoeabs.peaks (1.91, 1.84, 29.29 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 123 + HD2 LYS 123 OK 100 100 100 100 2.1-2.9 7093=100, 7130/1.8=66...(32) HG2 MET 121 - HD2 LYS 123 far 0 100 0 - 8.3-10.3 HB2 LEU 127 - HD2 LYS 123 far 0 61 0 - 8.4-10.3 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 2.4-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 7122 from cnoeabs.peaks (1.70, 1.84, 29.29 ppm; 3.10 A increased from 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=100 Violated in 0 structures by 0.00 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 3 assignments used, quality = 1.00: * HD3 LYS 123 + HD2 LYS 123 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 118 - HD2 LYS 123 far 0 61 0 - 7.5-12.3 HG3 ARG 105 - HD2 LYS 123 far 0 99 0 - 8.2-11.5 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 2.5-3.0 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 2.5-3.0 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): 1 out of 5 assignments used, quality = 0.97: HA PHE 120 + HD3 LYS 123 OK 97 100 100 98 2.2-4.1 11470/1.8=60...(6) HA GLU 119 - HD3 LYS 123 far 0 100 0 - 4.4-7.3 ! HA LYS 123 - HD3 LYS 123 far 0 100 0 - 4.4-4.7 HB2 SER 126 - HD3 LYS 123 far 0 100 0 - 7.1-8.4 HB3 SER 126 - HD3 LYS 123 far 0 99 0 - 8.0-9.7 Violated in 1 structures by 0.00 A. Peak 7129 from cnoeabs.peaks (1.93, 1.75, 29.29 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.90: * HB2 LYS 123 + HD3 LYS 123 OK 90 100 90 100 2.2-3.2 7084=100, 7119/1.8=63...(31) HG2 MET 121 - HD3 LYS 123 far 0 70 0 - 8.1-10.9 HB2 LEU 127 - HD3 LYS 123 far 0 100 0 - 8.7-10.2 Violated in 2 structures by 0.02 A. Peak 7130 from cnoeabs.peaks (1.91, 1.75, 29.29 ppm; 3.07 A): 1 out of 3 assignments used, quality = 0.90: * HB3 LYS 123 + HD3 LYS 123 OK 90 100 90 100 2.2-3.2 7093/1.8=86, 1.8/7084=68...(31) HG2 MET 121 - HD3 LYS 123 far 0 100 0 - 8.1-10.9 HB2 LEU 127 - HD3 LYS 123 far 0 61 0 - 8.7-10.2 Violated in 4 structures by 0.02 A. Peak 7131 from cnoeabs.peaks (1.57, 1.75, 29.29 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 123 + HD3 LYS 123 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 LYS 115 - HD3 LYS 123 far 0 81 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 7132 from cnoeabs.peaks (1.70, 1.75, 29.29 ppm; 2.55 A increased from 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HD3 LYS 123 OK 100 100 100 100 2.3-2.5 7114=100, 7152/3.0=33...(26) 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 6 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 - 6.8-8.0 QE MET 121 - HD3 LYS 123 far 0 84 0 - 7.5-9.9 HB2 LYS 77 - HD3 LYS 123 far 0 100 0 - 8.4-10.8 HB2 ARG 105 - HD3 LYS 123 far 0 81 0 - 8.5-10.8 HB3 LYS 77 - HD3 LYS 123 far 0 100 0 - 9.0-10.4 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; 4.83 A increased from 4.30 A): 2 out of 14 assignments used, quality = 1.00: HB2 LYS 123 + HE3 LYS 123 OK 99 99 100 100 4.2-4.8 2.9/7142=94, 7084/3.0=94...(20) * HB2 LYS 123 + HE2 LYS 123 OK 70 100 70 100 4.5-5.1 7084/3.0=94, 7119/3.0=91...(22) HB VAL 104 - HE2 LYS 94 far 12 79 15 - 4.0-6.4 HB3 GLU 52 - HE2 LYS 49 far 0 65 0 - 5.4-14.9 HB3 GLU 52 - HE3 LYS 49 far 0 65 0 - 6.3-15.0 HB3 GLU 41 - HE3 LYS 49 far 0 76 0 - 8.1-19.7 HB3 GLU 41 - HE2 LYS 49 far 0 76 0 - 8.2-19.3 HG2 MET 121 - HE2 LYS 123 far 0 70 0 - 9.4-11.7 HB3 LYS 115 - HE2 LYS 123 far 0 100 0 - 9.4-13.2 HG2 MET 121 - HE3 LYS 123 far 0 66 0 - 9.5-11.9 HB2 GLU 41 - HE3 LYS 49 far 0 73 0 - 9.6-21.0 HB2 LYS 115 - HE2 LYS 123 far 0 98 0 - 9.7-13.5 HB2 GLU 41 - HE2 LYS 49 far 0 73 0 - 9.9-20.6 HB3 LYS 115 - HE3 LYS 123 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 7140 from cnoeabs.peaks (1.91, 3.01, 41.78 ppm; 4.54 A increased from 4.28 A): 4 out of 21 assignments used, quality = 1.00: * HB3 LYS 123 + HE2 LYS 123 OK 90 100 90 100 3.9-5.1 7093/3.0=97, 7130/3.0=89...(21) HB3 LYS 123 + HE3 LYS 123 OK 89 99 90 100 4.1-4.7 7093/3.0=97, 2.9/7142=90...(19) HB2 LYS 49 + HE3 LYS 49 OK 65 76 85 100 2.2-5.5 5.1=69, 4140/3.8=33...(27) HB2 LYS 49 + HE2 LYS 49 OK 53 76 70 100 2.4-5.1 5.1=69, 4140/3.8=33...(27) HB2 ARG 95 - HE2 LYS 94 poor 12 62 20 - 4.1-8.0 HB2 LYS 44 - HE3 LYS 49 far 5 99 5 - 4.4-16.1 HB3 LYS 44 - HE3 LYS 49 far 5 95 5 - 3.9-14.7 HB3 LYS 44 - HE2 LYS 49 far 0 95 0 - 5.0-14.3 HB2 LYS 44 - HE2 LYS 49 far 0 99 0 - 5.3-15.2 HB2 LEU 45 - HE3 LYS 49 far 0 91 0 - 6.1-14.7 HB3 LYS 43 - HE2 LYS 49 far 0 83 0 - 7.5-17.2 HB2 LYS 96 - HE2 LYS 94 far 0 76 0 - 7.6-11.5 HB2 LEU 45 - HE2 LYS 49 far 0 91 0 - 7.7-14.5 HB2 LYS 43 - HE2 LYS 49 far 0 96 0 - 8.4-18.1 HB3 LYS 43 - HE3 LYS 49 far 0 83 0 - 8.6-16.9 HB2 LYS 43 - HE3 LYS 49 far 0 96 0 - 9.2-18.0 HB2 LYS 73 - HE3 LYS 49 far 0 61 0 - 9.2-21.3 HG2 MET 121 - HE2 LYS 123 far 0 100 0 - 9.4-11.7 HB2 LYS 73 - HE2 LYS 49 far 0 61 0 - 9.5-21.7 HG2 MET 121 - HE3 LYS 123 far 0 98 0 - 9.5-11.9 HB2 LYS 115 - HE2 LYS 123 far 0 81 0 - 9.7-13.5 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 + HE3 LYS 123 OK 99 99 100 100 2.3-3.0 1.8/7142=89, 3.9=86...(25) * HG2 LYS 123 + HE2 LYS 123 OK 80 100 80 100 2.1-3.9 3.9=86, ~7152=58...(27) HD2 LYS 106 - HE2 LYS 94 lone 0 73 30 2 2.0-6.5 HD3 LYS 106 - HE2 LYS 94 lone 0 76 30 1 2.0-5.6 HG2 LYS 44 - HE2 LYS 49 far 0 96 0 - 6.5-16.8 HG2 LYS 44 - HE3 LYS 49 far 0 96 0 - 6.7-16.2 HG2 LYS 115 - HE2 LYS 123 far 0 81 0 - 8.5-13.3 HG2 LYS 115 - HE3 LYS 123 far 0 77 0 - 8.9-14.0 HG12 ILE 116 - HE2 LYS 123 far 0 94 0 - 9.2-11.8 HG3 LYS 96 - HE2 LYS 94 far 0 93 0 - 9.4-12.2 HG12 ILE 116 - HE2 LYS 94 far 0 87 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 7142 from cnoeabs.peaks (1.70, 3.01, 41.78 ppm; 3.03 A increased from 2.69 A): 1 out of 16 assignments used, quality = 0.97: HG3 LYS 123 + HE3 LYS 123 OK 97 99 100 99 2.2-3.0 7114/3.0=57, 3.9=48...(26) ! HG3 LYS 123 - HE2 LYS 123 far 10 100 10 - 2.7-3.8 HD2 LYS 44 - HE2 LYS 49 far 0 100 0 - 4.1-15.4 HB2 LYS 106 - HE2 LYS 94 far 0 58 0 - 4.1-7.7 HD3 LYS 44 - HE2 LYS 49 far 0 99 0 - 4.5-16.1 HD2 LYS 44 - HE3 LYS 49 far 0 100 0 - 4.8-15.5 HB3 LYS 106 - HE2 LYS 94 far 0 66 0 - 5.0-8.0 HD3 LYS 44 - HE3 LYS 49 far 0 99 0 - 5.2-17.2 HB ILE 54 - HE2 LYS 49 far 0 69 0 - 6.3-17.7 HB ILE 54 - HE3 LYS 49 far 0 69 0 - 6.9-17.3 HD2 LYS 96 - HE2 LYS 94 far 0 58 0 - 7.2-12.7 HG LEU 74 - HE3 LYS 49 far 0 98 0 - 7.2-18.1 HG LEU 74 - HE2 LYS 49 far 0 98 0 - 7.9-17.7 HD3 LYS 96 - HE2 LYS 94 far 0 66 0 - 8.7-12.8 HD3 LYS 43 - HE2 LYS 49 far 0 76 0 - 9.4-17.8 HD2 LYS 73 - HE3 LYS 49 far 0 80 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 7143 from cnoeabs.peaks (1.84, 3.01, 41.78 ppm; 4.79 A): 2 out of 9 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 2.5-3.0 3.0=100 HB2 ARG 105 - HE2 LYS 94 far 0 73 0 - 6.8-10.8 HB2 ARG 105 - HE2 LYS 123 far 0 81 0 - 7.6-10.6 QE MET 121 - HE3 LYS 123 far 0 80 0 - 7.9-10.1 QE MET 121 - HE2 LYS 123 far 0 84 0 - 8.0-10.4 HG LEU 127 - HE3 LYS 123 far 0 74 0 - 8.4-9.8 HB2 ARG 105 - HE3 LYS 123 far 0 77 0 - 8.8-10.9 HG LEU 127 - HE2 LYS 123 far 0 77 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 7144 from cnoeabs.peaks (1.75, 3.01, 41.78 ppm; 3.16 A): 4 out of 12 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 + HE3 LYS 49 OK 27 96 30 94 2.0-4.9 4151/3.0=24, 5.1=23...(29) HB3 LYS 49 + HE2 LYS 49 OK 27 96 30 94 2.2-4.7 4151/3.0=24, 5.1=23...(29) HB3 LYS 94 - HE2 LYS 94 far 4 76 5 - 3.2-5.2 HG3 ARG 105 - HE2 LYS 94 far 0 94 0 - 6.5-10.4 HG2 ARG 118 - HE2 LYS 123 far 0 61 0 - 6.7-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 99 0 - 6.9-11.8 HB3 LEU 82 - HE2 LYS 94 far 0 79 0 - 7.8-9.8 HG2 ARG 118 - HE3 LYS 123 far 0 58 0 - 8.4-12.1 HG3 ARG 105 - HE3 LYS 123 far 0 97 0 - 8.6-11.6 HB2 LEU 80 - HE2 LYS 94 far 0 93 0 - 9.9-12.0 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; 4.83 A increased from 4.30 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 123 + HE3 LYS 123 OK 100 100 100 100 4.2-4.8 2.9/7152=94, 7084/3.0=94...(20) HB2 LYS 123 + HE2 LYS 123 OK 69 99 70 100 4.5-5.1 7084/3.0=94, 7119/3.0=91...(22) HB VAL 104 - HE2 LYS 94 far 10 66 15 - 4.0-6.4 HB3 GLU 52 - HE2 LYS 49 far 0 58 0 - 5.4-14.9 HB3 GLU 52 - HE3 LYS 49 far 0 58 0 - 6.3-15.0 HB3 GLU 41 - HE3 LYS 49 far 0 70 0 - 8.1-19.7 HB3 GLU 41 - HE2 LYS 49 far 0 70 0 - 8.2-19.3 HG2 MET 121 - HE2 LYS 123 far 0 66 0 - 9.4-11.7 HB3 LYS 115 - HE2 LYS 123 far 0 99 0 - 9.4-13.2 HG2 MET 121 - HE3 LYS 123 far 0 70 0 - 9.5-11.9 HB2 GLU 41 - HE3 LYS 49 far 0 66 0 - 9.6-21.0 HB2 LYS 115 - HE2 LYS 123 far 0 96 0 - 9.7-13.5 HB2 GLU 41 - HE2 LYS 49 far 0 66 0 - 9.9-20.6 HB3 LYS 115 - HE3 LYS 123 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 7150 from cnoeabs.peaks (1.91, 3.01, 41.78 ppm; 4.54 A increased from 4.28 A): 4 out of 21 assignments used, quality = 1.00: * HB3 LYS 123 + HE3 LYS 123 OK 90 100 90 100 4.1-4.7 7093/3.0=97, 2.9/7152=90...(19) HB3 LYS 123 + HE2 LYS 123 OK 89 99 90 100 3.9-5.1 7093/3.0=97, 7130/3.0=89...(21) HB2 LYS 49 + HE3 LYS 49 OK 59 70 85 100 2.2-5.5 5.1=69, 4140/3.8=33...(27) HB2 LYS 49 + HE2 LYS 49 OK 49 70 70 100 2.4-5.1 5.1=69, 4140/3.8=33...(27) HB2 ARG 95 - HE2 LYS 94 poor 10 51 20 - 4.1-8.0 HB2 LYS 44 - HE3 LYS 49 far 5 95 5 - 4.4-16.1 HB3 LYS 44 - HE3 LYS 49 far 4 89 5 - 3.9-14.7 HB3 LYS 44 - HE2 LYS 49 far 0 89 0 - 5.0-14.3 HB2 LYS 44 - HE2 LYS 49 far 0 95 0 - 5.3-15.2 HB2 LEU 45 - HE3 LYS 49 far 0 84 0 - 6.1-14.7 HB3 LYS 43 - HE2 LYS 49 far 0 76 0 - 7.5-17.2 HB2 LYS 96 - HE2 LYS 94 far 0 63 0 - 7.6-11.5 HB2 LEU 45 - HE2 LYS 49 far 0 84 0 - 7.7-14.5 HB2 LYS 43 - HE2 LYS 49 far 0 90 0 - 8.4-18.1 HB3 LYS 43 - HE3 LYS 49 far 0 76 0 - 8.6-16.9 HB2 LYS 43 - HE3 LYS 49 far 0 90 0 - 9.2-18.0 HB2 LYS 73 - HE3 LYS 49 far 0 55 0 - 9.2-21.3 HG2 MET 121 - HE2 LYS 123 far 0 98 0 - 9.4-11.7 HB2 LYS 73 - HE2 LYS 49 far 0 55 0 - 9.5-21.7 HG2 MET 121 - HE3 LYS 123 far 0 100 0 - 9.5-11.9 HB2 LYS 115 - HE2 LYS 123 far 0 77 0 - 9.7-13.5 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 2.3-3.0 1.8/7152=89, 3.9=86...(25) HG2 LYS 123 + HE2 LYS 123 OK 79 99 80 100 2.1-3.9 3.9=86, ~7152=58...(27) HD3 LYS 106 - HE2 LYS 94 poor 19 63 30 - 2.0-5.6 HD2 LYS 106 - HE2 LYS 94 poor 18 60 30 - 2.0-6.5 HG2 LYS 44 - HE2 LYS 49 far 0 90 0 - 6.5-16.8 HG2 LYS 44 - HE3 LYS 49 far 0 90 0 - 6.7-16.2 HG2 LYS 115 - HE2 LYS 123 far 0 77 0 - 8.5-13.3 HG2 LYS 115 - HE3 LYS 123 far 0 81 0 - 8.9-14.0 HG12 ILE 116 - HE2 LYS 123 far 0 91 0 - 9.2-11.8 HG3 LYS 96 - HE2 LYS 94 far 0 80 0 - 9.4-12.2 HG12 ILE 116 - HE2 LYS 94 far 0 73 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 7152 from cnoeabs.peaks (1.70, 3.01, 41.78 ppm; 3.03 A increased from 2.69 A): 1 out of 16 assignments used, quality = 0.99: * HG3 LYS 123 + HE3 LYS 123 OK 99 100 100 99 2.2-3.0 7114/3.0=57, 3.9=48...(26) HG3 LYS 123 - HE2 LYS 123 far 10 99 10 - 2.7-3.8 HD2 LYS 44 - HE2 LYS 49 far 0 95 0 - 4.1-15.4 HB2 LYS 106 - HE2 LYS 94 far 0 47 0 - 4.1-7.7 HD3 LYS 44 - HE2 LYS 49 far 0 94 0 - 4.5-16.1 HD2 LYS 44 - HE3 LYS 49 far 0 95 0 - 4.8-15.5 HB3 LYS 106 - HE2 LYS 94 far 0 54 0 - 5.0-8.0 HD3 LYS 44 - HE3 LYS 49 far 0 94 0 - 5.2-17.2 HB ILE 54 - HE2 LYS 49 far 0 62 0 - 6.3-17.7 HB ILE 54 - HE3 LYS 49 far 0 62 0 - 6.9-17.3 HD2 LYS 96 - HE2 LYS 94 far 0 47 0 - 7.2-12.7 HG LEU 74 - HE3 LYS 49 far 0 93 0 - 7.2-18.1 HG LEU 74 - HE2 LYS 49 far 0 93 0 - 7.9-17.7 HD3 LYS 96 - HE2 LYS 94 far 0 54 0 - 8.7-12.8 HD3 LYS 43 - HE2 LYS 49 far 0 70 0 - 9.4-17.8 HD2 LYS 73 - HE3 LYS 49 far 0 73 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 7153 from cnoeabs.peaks (1.84, 3.01, 41.78 ppm; 4.79 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 123 + HE3 LYS 123 OK 100 100 100 100 2.5-3.0 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 0 60 0 - 6.8-10.8 HB2 ARG 105 - HE2 LYS 123 far 0 77 0 - 7.6-10.6 QE MET 121 - HE3 LYS 123 far 0 84 0 - 7.9-10.1 QE MET 121 - HE2 LYS 123 far 0 80 0 - 8.0-10.4 HG LEU 127 - HE3 LYS 123 far 0 77 0 - 8.4-9.8 HB2 ARG 105 - HE3 LYS 123 far 0 81 0 - 8.8-10.9 HG LEU 127 - HE2 LYS 123 far 0 74 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 7154 from cnoeabs.peaks (1.75, 3.01, 41.78 ppm; 3.16 A): 4 out of 12 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 25 90 30 94 2.2-4.7 4151/3.0=24, 5.1=23...(29) HB3 LYS 49 + HE3 LYS 49 OK 25 90 30 94 2.0-4.9 4151/3.0=24, 5.1=23...(29) HB3 LYS 94 - HE2 LYS 94 far 3 63 5 - 3.2-5.2 HG3 ARG 105 - HE2 LYS 94 far 0 81 0 - 6.5-10.4 HG2 ARG 118 - HE2 LYS 123 far 0 58 0 - 6.7-12.4 HG3 ARG 105 - HE2 LYS 123 far 0 97 0 - 6.9-11.8 HB3 LEU 82 - HE2 LYS 94 far 0 66 0 - 7.8-9.8 HG2 ARG 118 - HE3 LYS 123 far 0 61 0 - 8.4-12.1 HG3 ARG 105 - HE3 LYS 123 far 0 99 0 - 8.6-11.6 HB2 LEU 80 - HE2 LYS 94 far 0 80 0 - 9.9-12.0 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 1 assignment used, quality = 1.00: * H ALA 124 + HA ALA 124 OK 100 100 100 100 2.8-2.8 3.0=100 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 - 8.1-9.1 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 - 8.2-10.8 HA VAL 22 - QB ALA 124 far 0 87 0 - 8.3-9.2 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 2.8-2.9 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 - 8.5-10.3 H LYS 53 - HA3 GLY 125 far 0 59 0 - 9.8-11.8 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 2.8-2.9 3.0=100 H LYS 53 - HA2 GLY 125 far 0 59 0 - 8.5-10.3 H LYS 53 - HA3 GLY 125 far 0 84 0 - 9.8-11.8 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 2.7-3.0 3.0=100 HB3 SER 126 + HA SER 126 OK 97 97 100 100 2.3-2.6 3.0=100 HA LYS 123 - HA SER 126 far 0 100 0 - 5.6-6.5 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 2.3-2.6 3.0=100 HB2 SER 126 + HA SER 126 OK 97 97 100 100 2.7-3.0 3.0=100 HA LYS 123 - HA SER 126 far 0 99 0 - 5.6-6.5 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 = 0.97: * H SER 126 + HB2 SER 126 OK 96 100 100 96 2.3-2.7 1826=81, 800/802=54...(7) H SER 126 + HB3 SER 126 OK 22 93 25 95 2.5-3.6 1826/1.8=67, 4.0=61...(5) 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 100 100 100 100 2.7-3.0 3.0=99, 3.0/1826=39...(9) HA SER 126 + HB3 SER 126 OK 93 93 100 100 2.3-2.6 3.0=99, ~1826=20...(7) 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 = 0.92: H SER 126 + HB2 SER 126 OK 89 93 100 96 2.3-2.7 1827=80, 800/803=54...(7) * H SER 126 + HB3 SER 126 OK 24 100 25 95 2.5-3.6 1826/1.8=67, 4.0=61...(5) 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 2.3-2.6 3.0=100 HA SER 126 + HB2 SER 126 OK 93 93 100 100 2.7-3.0 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 3 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 - 7.0-9.3 HB2 LYS 123 - HA LEU 127 far 0 100 0 - 7.2-9.0 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 2.3-2.4 3.0=100 HD3 LYS 77 - HA LEU 127 far 0 92 0 - 7.3-8.9 HD2 LYS 77 - HA LEU 127 far 0 90 0 - 7.9-9.6 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 3.3-3.5 3.6=100 HB3 LYS 77 - HA LEU 127 far 0 70 0 - 6.1-7.5 HB2 LYS 77 - HA LEU 127 far 0 77 0 - 6.2-7.8 HD2 LYS 123 - HA LEU 127 far 0 77 0 - 9.5-11.3 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 2 assignments used, quality = 1.00: * QD2 LEU 127 + HA LEU 127 OK 100 100 100 100 2.1-2.5 7210=100, 809/3.6=24...(9) HG3 LYS 53 - HA LEU 127 far 0 99 0 - 9.8-12.7 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 3.9-4.0 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 2.7-2.8 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 - 8.1-8.6 HA GLU 41 - HB2 LEU 70 far 0 41 0 - 9.6-10.4 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 4 assignments used, quality = 1.00: * HB3 LEU 127 + HB2 LEU 127 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 77 - HB2 LEU 127 far 0 92 0 - 4.9-7.6 HG2 LYS 73 - HB2 LEU 70 far 0 50 0 - 5.2-7.2 HD2 LYS 77 - HB2 LEU 127 far 0 90 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 7192 from cnoeabs.peaks (1.86, 1.93, 42.07 ppm; 3.20 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 127 + HB2 LEU 127 OK 100 100 100 100 2.4-2.5 3.0=100 HG LEU 70 + HB2 LEU 70 OK 66 66 100 100 2.6-2.7 3.0=100 QE MET 42 + HB2 LEU 70 OK 40 70 65 87 2.4-3.4 9430/3.1=41, 438/436=27...(13) HB3 LYS 77 - HB2 LEU 127 far 0 70 0 - 4.0-5.2 HB2 LYS 77 - HB2 LEU 127 far 0 77 0 - 4.5-5.9 HD2 LYS 123 - HB2 LEU 127 far 0 77 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 7193 from cnoeabs.peaks (0.93, 1.93, 42.07 ppm; 3.35 A increased from 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 - 7.1-10.0 Violated in 0 structures by 0.00 A. Peak 7194 from cnoeabs.peaks (1.01, 1.93, 42.07 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 127 + HB2 LEU 127 OK 100 100 100 100 2.2-2.4 3.1=100 HG13 ILE 71 - HB2 LEU 70 far 0 66 0 - 4.8-5.0 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 3.6-3.6 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 2.3-2.4 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 3 assignments used, quality = 1.00: * HB2 LEU 127 + HB3 LEU 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 123 - HB3 LEU 127 far 0 61 0 - 6.4-9.0 HB2 LYS 123 - HB3 LEU 127 far 0 100 0 - 6.9-8.6 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): 1 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 HB3 LYS 77 - HB3 LEU 127 far 0 70 0 - 3.8-5.3 HB2 LYS 77 - HB3 LEU 127 far 0 77 0 - 3.9-5.5 HD2 LYS 123 - HB3 LEU 127 far 0 77 0 - 8.7-11.0 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 2.2-2.4 3.1=100 HG3 LYS 53 - HB3 LEU 127 far 0 99 0 - 8.5-11.6 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 2.2-2.5 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 1.9-2.1 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 2 assignments used, quality = 1.00: * HA LEU 127 + HG LEU 127 OK 100 100 100 100 3.3-3.5 3.6=100 HA LYS 73 - HG LEU 70 far 0 73 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 7204 from cnoeabs.peaks (1.93, 1.86, 26.77 ppm; 3.02 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 127 + HG LEU 127 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LEU 70 + HG LEU 70 OK 73 73 100 100 2.6-2.7 3.0=100 HB3 LYS 123 - HG LEU 127 far 0 61 0 - 3.8-6.1 HB2 LYS 123 - HG LEU 127 far 0 100 0 - 4.2-5.8 HB3 MET 42 - HG LEU 70 far 0 51 0 - 5.3-6.1 HB2 LYS 39 - HG LEU 70 far 0 83 0 - 6.4-7.4 HB3 LYS 39 - HG LEU 70 far 0 57 0 - 6.9-8.7 HB2 LYS 65 - HG LEU 70 far 0 83 0 - 7.6-8.8 HB3 LYS 65 - HG LEU 70 far 0 83 0 - 8.2-9.8 HB2 GLU 41 - HG LEU 70 far 0 51 0 - 9.1-11.4 HG2 MET 121 - HG LEU 127 far 0 73 0 - 9.3-11.3 HB3 GLU 41 - HG LEU 70 far 0 54 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 7205 from cnoeabs.peaks (1.61, 1.86, 26.77 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 127 + HG LEU 127 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 73 - HG LEU 70 far 0 54 0 - 4.9-6.8 HD3 LYS 77 - HG LEU 127 far 0 92 0 - 5.5-6.9 HD2 LYS 77 - HG LEU 127 far 0 90 0 - 6.5-7.5 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 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 7208 from cnoeabs.peaks (1.01, 1.86, 26.77 ppm; 6.20 A): 1 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 far 0 71 0 - 7.3-7.6 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 2.5-3.1 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 2.1-2.5 7186=100, 3.6/809=24...(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 4 assignments used, quality = 1.00: * HB2 LEU 127 + QD2 LEU 127 OK 100 100 100 100 3.2-3.2 3.1=100 HB3 LYS 123 - QD2 LEU 127 far 3 61 5 - 3.7-6.2 HB2 LYS 123 - QD2 LEU 127 far 0 100 0 - 3.8-6.0 HG2 MET 121 - QD2 LEU 127 far 0 73 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 7212 from cnoeabs.peaks (1.61, 0.93, 22.96 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + QD2 LEU 127 OK 100 100 100 100 2.2-2.4 3.1=100 HD3 LYS 77 - QD2 LEU 127 far 0 92 0 - 4.0-5.1 HD2 LYS 77 - QD2 LEU 127 far 0 90 0 - 4.8-6.0 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 0 77 0 - 3.9-5.7 HB3 LYS 77 - QD2 LEU 127 far 0 70 0 - 4.2-5.7 HD2 LYS 123 - QD2 LEU 127 far 0 77 0 - 5.5-7.7 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 3.9-4.0 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 4 assignments used, quality = 1.00: * HB2 LEU 127 + QD1 LEU 127 OK 100 100 100 100 2.2-2.4 3.1=100 HB2 LYS 123 - QD1 LEU 127 far 5 100 5 - 3.4-5.2 HB3 LYS 123 - QD1 LEU 127 far 3 61 5 - 3.2-5.7 HG2 MET 121 - QD1 LEU 127 far 0 73 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 7219 from cnoeabs.peaks (1.61, 1.01, 25.52 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + QD1 LEU 127 OK 100 100 100 100 2.2-2.5 3.1=100 HD3 LYS 77 + QD1 LEU 127 OK 51 92 60 93 2.7-3.9 3.0/11287=33...(13) HD2 LYS 77 - QD1 LEU 127 far 0 90 0 - 3.7-4.3 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 4 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 69 77 100 89 2.2-3.6 3.0/11287=40...(7) HB3 LYS 77 + QD1 LEU 127 OK 63 70 100 90 2.1-3.2 3.0/11287=40...(8) HD2 LYS 123 - QD1 LEU 127 far 0 77 0 - 4.9-7.1 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 - 6.7-9.1 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 5 assignments used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 71 - HA LEU 64 far 0 86 0 - 8.4-8.9 HB ILE 7 - HA LEU 64 far 0 79 0 - 8.8-9.2 HB3 LYS 123 - HA GLU 128 far 0 84 0 - 9.5-11.5 HB2 LEU 81 - HA LEU 64 far 0 52 0 - 9.8-10.4 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 3 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 70 - HA LEU 64 far 0 72 0 - 8.0-8.4 HB2 GLU 41 - HA LEU 64 far 0 87 0 - 9.6-11.6 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: HG3 GLU 128 + HA GLU 128 OK 99 100 100 99 2.3-3.7 4.0=85, 1.8/7242=37...(12) * HG2 GLU 128 + HA GLU 128 OK 99 100 100 99 2.2-3.8 4.0=85, 1840/2.9=37...(12) HB2 MET 1 - HA GLU 128 far 0 73 0 - 4.0-9.1 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: * HG3 GLU 128 + HA GLU 128 OK 99 100 100 99 2.3-3.7 4.0=85, 1.8/7242=37...(12) HG2 GLU 128 + HA GLU 128 OK 99 100 100 99 2.2-3.8 4.0=85, 1840/2.9=37...(12) HB2 MET 1 - HA GLU 128 far 0 73 0 - 4.0-9.1 Violated in 0 structures by 0.00 A. Peak 7229 from cnoeabs.peaks (8.08, 1.90, 29.83 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-2.8 1837=100, 1838/1.8=78...(12) H GLU 92 - HB2 ARG 95 far 0 97 0 - 5.4-6.3 H PHE 93 - HB2 ARG 95 far 0 58 0 - 5.6-6.7 H SER 99 - HB2 ARG 95 far 0 74 0 - 5.7-6.9 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 2.4-3.0 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 - 4.6-7.0 HB VAL 104 - HB2 ARG 95 far 0 93 0 - 7.3-8.6 HB3 GLU 52 - HB2 GLU 128 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 7233 from cnoeabs.peaks (2.01, 1.90, 29.83 ppm; 3.05 A increased from 2.71 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 MET 1 - HB2 GLU 128 far 0 73 0 - 6.5-11.5 HB2 GLN 25 - HB2 GLU 128 far 0 97 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 7234 from cnoeabs.peaks (2.01, 1.90, 29.83 ppm; 3.05 A increased from 2.71 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 MET 1 - HB2 GLU 128 far 0 73 0 - 6.5-11.5 HB2 GLN 25 - HB2 GLU 128 far 0 97 0 - 9.7-12.6 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 2.6-3.6 1838=100, 1837/1.8=91...(9) 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 2.4-3.0 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 HG2 MET 121 - HB3 GLU 128 far 0 73 0 - 9.3-11.5 HB3 LYS 123 - HB3 GLU 128 far 0 84 0 - 9.7-11.5 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; 3.06 A increased from 2.57 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 MET 1 - HB3 GLU 128 far 0 73 0 - 5.4-11.6 Violated in 0 structures by 0.00 A. Peak 7240 from cnoeabs.peaks (2.01, 1.95, 29.83 ppm; 3.06 A increased from 2.57 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 MET 1 - HB3 GLU 128 far 0 73 0 - 5.4-11.6 Violated in 0 structures by 0.00 A. Peak 7241 from cnoeabs.peaks (8.08, 2.01, 36.01 ppm; 4.51 A increased from 4.24 A): 2 out of 2 assignments used, quality = 1.00: H GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.4-4.6 1837/3.0=88, 1838/3.0=79...(10) * H GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.9-4.6 1837/3.0=88, 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 + HG3 GLU 128 OK 99 100 100 99 2.3-3.7 4.0=87, 7228/1.8=38...(12) * HA GLU 128 + HG2 GLU 128 OK 99 100 100 99 2.2-3.8 4.0=87, 7228/1.8=38...(12) Violated in 0 structures by 0.00 A. Peak 7243 from cnoeabs.peaks (1.90, 2.01, 36.01 ppm; 3.15 A increased from 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=100 * HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 MET 121 - HG2 GLU 128 far 0 73 0 - 7.8-12.3 HG2 MET 121 - HG3 GLU 128 far 0 73 0 - 8.2-11.6 HB3 LYS 123 - HG2 GLU 128 far 0 84 0 - 8.3-12.7 HB3 LYS 123 - HG3 GLU 128 far 0 84 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 7244 from cnoeabs.peaks (1.95, 2.01, 36.01 ppm; 3.07 A increased from 2.89 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 52 - HG2 GLU 128 far 0 100 0 - 8.3-12.8 HB3 GLU 52 - HG3 GLU 128 far 0 100 0 - 8.6-13.5 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; 4.51 A increased from 4.24 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.4-4.6 1837/3.0=88, 1838/3.0=79...(10) H GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.9-4.6 1837/3.0=88, 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 + HG3 GLU 128 OK 99 100 100 99 2.3-3.7 4.0=87, 7228/1.8=38...(12) HA GLU 128 + HG2 GLU 128 OK 99 100 100 99 2.2-3.8 4.0=87, 7228/1.8=38...(12) Violated in 0 structures by 0.00 A. Peak 7249 from cnoeabs.peaks (1.90, 2.01, 36.01 ppm; 3.15 A increased from 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=100 HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 MET 121 - HG2 GLU 128 far 0 73 0 - 7.8-12.3 HG2 MET 121 - HG3 GLU 128 far 0 73 0 - 8.2-11.6 HB3 LYS 123 - HG2 GLU 128 far 0 84 0 - 8.3-12.7 HB3 LYS 123 - HG3 GLU 128 far 0 84 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 7250 from cnoeabs.peaks (1.95, 2.01, 36.01 ppm; 3.07 A increased from 2.89 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 52 - HG2 GLU 128 far 0 100 0 - 8.3-12.8 HB3 GLU 52 - HG3 GLU 128 far 0 100 0 - 8.6-13.5 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 2.1-2.3 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 3.9-4.4 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 1.9-3.0 4=100, 2/3.2=65...(9) H LEU 81 - QG2 ILE 3 far 0 65 0 - 9.5-9.8 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 4.1-5.1 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 3.6-5.0 7=88, 4/3.0=88...(7) Violated in 2 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 - 9.5-9.9 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 5 assignments used, quality = 1.00: H ILE 5 + HB3 LEU 4 OK 100 100 100 100 2.8-3.4 4.4=100 * H ILE 5 + HB2 LEU 4 OK 100 100 100 100 3.4-3.9 4.4=100 H MET 42 - HB3 LEU 4 far 0 81 0 - 9.2-10.3 H VAL 29 - HB3 LEU 4 far 0 90 0 - 9.6-10.2 H MET 42 - HB2 LEU 4 far 0 81 0 - 9.8-10.9 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 1 assignment used, quality = 1.00: * H ILE 5 + HG LEU 4 OK 100 100 100 100 5.1-5.3 9/3.7=98, 7313/2.1=92...(9) Violated in 0 structures by 0.00 A. Peak 7313 from cnoeabs.peaks (8.77, 0.64, 25.46 ppm; 5.47 A increased from 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 5 + QD1 LEU 4 OK 100 100 100 100 4.7-5.2 9/3.8=88, 14/2.1=68...(9) H MET 42 - QD1 LEU 4 far 0 81 0 - 6.4-7.4 H VAL 29 - QD1 LEU 4 far 0 90 0 - 9.5-10.3 Violated in 0 structures by 0.00 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 4.0-4.2 9/3.8=71, 14=70...(9) H ILE 5 + QD1 LEU 55 OK 48 55 90 97 3.9-4.9 3.9/10939=68...(6) H VAL 29 - QD1 LEU 55 far 0 44 0 - 6.1-6.6 H ILE 18 - QD1 LEU 55 far 0 25 0 - 6.6-7.3 H MET 42 - QD2 LEU 4 far 0 81 0 - 7.5-8.6 H VAL 29 - QD2 LEU 4 far 0 90 0 - 8.0-8.5 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 2.1-2.1 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 4.1-4.2 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 1 assignment used, quality = 1.00: * H LEU 6 + QG2 ILE 5 OK 100 100 100 100 2.6-2.8 18=100, 16/3.2=65...(7) 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 2.1-2.1 23=100, 28/2450=47...(11) 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 4.8-5.0 28/2.1=100, 1052/2.1=100...(7) 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 2.4-3.0 28=100, 27/2.1=96...(8) 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 2.1-2.1 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 4.2-4.3 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 2.5-2.8 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 1 assignment used, quality = 1.00: * H ASN 8 + QD1 ILE 7 OK 100 100 100 100 5.3-5.3 32/3.3=98, 30/2522=93...(6) 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 2.1-2.1 37=100, 38/3.0=35...(7) H LYS 65 - HA ASN 8 far 0 98 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 7335 from cnoeabs.peaks (8.04, 2.27, 42.58 ppm; 6.13 A): 1 out of 2 assignments used, quality = 1.00: * H THR 9 + HB3 ASN 8 OK 100 100 100 100 4.2-4.5 4.6=100 H LYS 65 - HB3 ASN 8 far 0 98 0 - 6.3-6.9 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 3.2-3.5 10691=98, 9997/3.0=62 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 3.6-3.7 44=100, 43/3.0=85...(7) H GLN 83 + HB THR 9 OK 24 100 25 97 4.4-4.6 9997=67, 10691/3.0=62...(4) Violated in 0 structures by 0.00 A. Peak 7338 from cnoeabs.peaks (8.44, 0.86, 19.21 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 10 + QG2 THR 9 OK 100 100 100 100 4.1-4.2 4.0=100 H GLN 83 - QG2 THR 9 far 0 100 0 - 5.1-5.3 H VAL 32 - QG2 THR 9 far 0 100 0 - 7.8-8.3 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 3.4-4.5 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 2.1-2.1 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 3.5-4.5 4.4=100 H THR 108 - HB3 ASN 11 far 0 65 0 - 9.8-11.5 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 100 100 100 100 2.9-3.3 61=100, 1861/1080=73...(6) H GLU 13 + HB3 ASP 12 OK 99 100 100 99 3.8-4.2 60/1.8=91, 4.6=69...(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 100 100 100 100 2.9-3.3 61=100, 1861/1080=73...(6) * H GLU 13 + HB3 ASP 12 OK 99 100 100 99 3.8-4.2 60/1.8=91, 4.6=69...(7) Violated in 0 structures by 0.00 A. Peak 7348 from cnoeabs.peaks (7.58, 4.03, 59.01 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HA GLU 13 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 17 - HA GLU 13 poor 20 98 20 - 3.7-4.0 Violated in 0 structures by 0.00 A. Peak 7349 from cnoeabs.peaks (7.58, 2.06, 28.71 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HB2 GLU 13 OK 100 100 100 100 3.1-3.8 64=100, 65/1.8=79...(6) H LYS 17 - HB2 GLU 13 far 0 98 0 - 4.7-5.1 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 2.4-2.8 65=100, 64/1.8=83...(5) H LYS 17 - HB3 GLU 13 far 0 98 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 7351 from cnoeabs.peaks (7.58, 2.36, 36.01 ppm; 5.08 A increased from 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HG2 GLU 13 OK 100 100 100 100 4.7-5.0 66=96, 64/2626=91...(6) H LYS 17 - HG2 GLU 13 far 0 98 0 - 5.3-6.4 Violated in 0 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 4.1-4.8 67=100, 65/2633=91...(6) H LYS 17 - HG3 GLU 13 far 0 98 0 - 6.5-7.2 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 3.4-3.7 4.6=100 H GLU 112 - HB2 LEU 14 far 0 99 0 - 8.2-9.3 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 2.9-3.2 4.6=100 H GLU 112 - HB3 LEU 14 far 0 99 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 7357 from cnoeabs.peaks (8.24, 0.86, 22.48 ppm; 4.71 A increased from 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 15 + QD1 LEU 14 OK 100 100 100 100 4.6-4.7 3.6/2665=81, 71/3.1=81...(6) H GLU 112 + QD1 LEU 14 OK 41 99 45 92 4.4-5.3 10398/11517=65...(4) Violated in 0 structures by 0.00 A. Peak 7358 from cnoeabs.peaks (8.24, 0.76, 24.53 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 15 + QD2 LEU 14 OK 100 100 100 100 4.1-4.4 71/3.1=83, 68/1094=82...(5) H GLU 112 - QD2 LEU 14 far 0 99 0 - 5.5-6.5 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 1.9-2.5 77=100, 78/2.1=82...(7) 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 3.1-3.5 4.1=100 H LYS 115 - QG2 ILE 5 far 0 75 0 - 8.6-9.2 HE ARG 105 - QG2 ILE 5 far 0 92 0 - 8.8-10.8 H ASP 34 - QG2 ILE 15 far 0 87 0 - 9.5-10.2 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 3.6-4.0 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 4.0-4.4 81=100, 77/3.2=96...(8) H ASP 34 - QD1 ILE 15 far 0 87 0 - 9.0-10.6 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 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 7366 from cnoeabs.peaks (7.58, 1.88, 32.16 ppm; 3.58 A increased from 3.18 A): 1 out of 6 assignments used, quality = 0.95: * H LYS 17 + HB2 LYS 16 OK 95 100 95 100 3.2-3.9 84=100, 7368/3.0=50...(6) H LYS 17 - HB3 LYS 16 far 0 100 0 - 3.8-4.1 H LYS 17 - HB2 LYS 20 far 0 65 0 - 6.0-6.8 H LEU 14 - HB2 LYS 16 far 0 98 0 - 6.6-7.6 H LEU 14 - HB3 LYS 16 far 0 98 0 - 6.6-7.6 H LYS 17 - HB3 LYS 20 far 0 65 0 - 7.5-8.0 Violated in 1 structures by 0.01 A. Peak 7367 from cnoeabs.peaks (7.58, 1.88, 32.16 ppm; 3.58 A increased from 3.18 A): 1 out of 6 assignments used, quality = 0.95: H LYS 17 + HB2 LYS 16 OK 95 100 95 100 3.2-3.9 85=100, 7368/3.0=50...(6) ! H LYS 17 - HB3 LYS 16 far 0 100 0 - 3.8-4.1 H LYS 17 - HB2 LYS 20 far 0 69 0 - 6.0-6.8 H LEU 14 - HB2 LYS 16 far 0 98 0 - 6.6-7.6 H LEU 14 - HB3 LYS 16 far 0 98 0 - 6.6-7.6 H LYS 17 - HB3 LYS 20 far 0 69 0 - 7.5-8.0 Violated in 1 structures by 0.01 A. Peak 7368 from cnoeabs.peaks (7.58, 1.63, 25.30 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG2 LYS 16 OK 100 100 100 100 1.8-3.8 82/1106=77, 86=73...(8) H LEU 14 - HG2 LYS 16 far 0 98 0 - 4.6-6.4 Violated in 0 structures by 0.00 A. Peak 7369 from cnoeabs.peaks (7.58, 1.40, 25.30 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 17 + HG3 LYS 16 OK 100 100 100 100 1.8-3.1 87=84, 7368/1.8=79...(11) H LEU 14 - HG3 LYS 16 far 0 98 0 - 4.5-5.2 Violated in 0 structures by 0.00 A. Peak 7370 from cnoeabs.peaks (7.58, 1.69, 29.24 ppm; 4.42 A increased from 4.16 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 17 + HD2 LYS 16 OK 100 100 100 100 2.9-4.4 7368/2.9=73, 7369/2.9=70...(10) H LYS 17 + HD3 LYS 16 OK 64 99 65 100 2.8-4.9 7368/2.9=73, 7369/2.9=70...(11) H LEU 14 - HD3 LYS 16 far 0 97 0 - 5.2-6.9 H LEU 14 - HD2 LYS 16 far 0 98 0 - 5.4-7.4 Violated in 0 structures by 0.00 A. Peak 7371 from cnoeabs.peaks (7.58, 1.69, 29.24 ppm; 4.38 A increased from 4.12 A): 2 out of 4 assignments used, quality = 1.00: H LYS 17 + HD2 LYS 16 OK 99 99 100 100 2.9-4.4 7368/2.9=72, 7369/2.9=69...(10) * H LYS 17 + HD3 LYS 16 OK 65 100 65 100 2.8-4.9 7368/2.9=72, 7369/2.9=69...(11) H LEU 14 - HD3 LYS 16 far 0 98 0 - 5.2-6.9 H LEU 14 - HD2 LYS 16 far 0 97 0 - 5.4-7.4 Violated in 0 structures by 0.00 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 3.0-3.5 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 2.2-2.7 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 4.8-5.1 97=100, 95/3.0=99...(6) 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 3.5-3.5 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 2.6-3.0 105/2.1=85, 4.5=84...(8) H ILE 57 - HB ILE 18 far 0 94 0 - 8.7-9.3 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 3.2-3.5 3.7=100 H ILE 57 - QG2 ILE 18 far 0 94 0 - 7.1-7.8 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 3 assignments used, quality = 1.00: * H LYS 19 + QD1 ILE 18 OK 100 100 100 100 4.6-4.9 108=100, 105/2920=99...(8) H ILE 57 - QD1 ILE 18 far 0 94 0 - 7.7-8.4 H ILE 57 - QD1 ILE 5 far 0 69 0 - 9.1-9.7 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 3.3-3.5 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 2.9-3.1 112=100, 111/1.8=93...(4) 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 - 9.3-15.1 Violated in 0 structures by 0.00 A. Peak 7399 from cnoeabs.peaks (7.67, 1.89, 31.98 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 21 + HB2 LYS 20 OK 100 100 100 100 2.1-3.5 122=100, 1869/1141=60...(4) H GLU 21 - HB3 LYS 20 far 5 100 5 - 3.5-3.9 H GLU 21 - HB2 LYS 16 far 0 65 0 - 7.5-8.9 HE ARG 118 - HB2 LYS 20 far 0 100 0 - 7.7-13.8 H GLU 21 - HB3 LYS 16 far 0 69 0 - 7.8-9.2 HE ARG 118 - HB3 LYS 20 far 0 100 0 - 8.9-15.0 Violated in 0 structures by 0.00 A. Peak 7400 from cnoeabs.peaks (7.67, 1.89, 31.98 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: H GLU 21 + HB2 LYS 20 OK 100 100 100 100 2.1-3.5 122=100, 1869/1141=60...(4) ! H GLU 21 - HB3 LYS 20 far 5 100 5 - 3.5-3.9 H GLU 21 - HB2 LYS 16 far 0 65 0 - 7.5-8.9 HE ARG 118 - HB2 LYS 20 far 0 100 0 - 7.7-13.8 H GLU 21 - HB3 LYS 16 far 0 69 0 - 7.8-9.2 HE ARG 118 - HB3 LYS 20 far 0 100 0 - 8.9-15.0 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 1.7-3.6 123=100, 121/2.9=92...(5) HE ARG 118 - HG2 LYS 20 far 0 100 0 - 9.6-15.5 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 1 assignment used, quality = 1.00: * H GLU 21 + HG3 LYS 20 OK 100 100 100 100 3.4-4.6 123/1.8=95, 124=95...(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 2.5-3.6 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 2.4-3.6 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 1 assignment used, quality = 1.00: * H GLN 28 + HA TYR 27 OK 100 100 100 100 2.1-2.2 3.6=100 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 3.1-3.5 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 4.1-4.5 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 2.2-2.5 158=100, 159/3.0=37...(8) H ILE 5 - HA GLN 28 far 0 90 0 - 9.1-9.5 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 5 assignments used, quality = 1.00: * H VAL 29 + HB2 GLN 28 OK 100 100 100 100 3.6-4.0 4.6=100 H ILE 18 - HB VAL 117 far 0 22 0 - 7.0-7.9 H ILE 5 - HB2 GLN 28 far 0 90 0 - 7.4-9.3 H MET 42 - HB2 GLU 47 far 0 94 0 - 8.2-8.8 H ILE 5 - HB VAL 117 far 0 21 0 - 9.6-10.3 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 2.3-4.3 4.6=100 H ILE 5 - HB3 GLN 28 far 0 90 0 - 7.6-9.0 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 2.7-4.5 161=100, 158/3.8=99...(6) H ILE 5 - HG2 GLN 28 far 0 90 0 - 8.2-10.6 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 = 1.00: * H ARG 30 + HA VAL 29 OK 100 100 100 100 2.2-2.2 166=100, 169/3.2=50...(7) 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 4.4-4.5 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 4.1-4.3 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 3.0-3.2 169=100, 166/3.2=69...(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 2.9-3.6 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 3.8-4.4 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 4.9-5.6 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 4.1-5.6 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 3.9-5.4 177=100, 172/3.6=96...(5) 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, 181/3.0=44...(8) 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 100 100 100 100 3.0-3.8 180=100, 179/3.0=84...(6) H VAL 32 + HB3 ASP 31 OK 70 100 70 100 3.2-4.4 180/1.8=88, 179/3.0=84...(6) 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 100 100 100 100 3.0-3.8 181=100, 179/3.0=84...(6) * H VAL 32 + HB3 ASP 31 OK 70 100 70 100 3.2-4.4 180/1.8=88, 179/3.0=84...(6) 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...(11) 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 4.2-4.4 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 2.6-2.9 185=100, 183/3.2=80...(12) 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 4.0-4.2 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 3.2-3.3 3.6=100 H LEU 64 - HA ASN 33 far 0 92 0 - 7.6-8.4 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 4.1-4.5 4.6=100 H LEU 64 - HB2 ASN 33 far 0 92 0 - 9.9-10.8 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 3.6-3.9 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 2.3-2.4 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 3.7-4.2 195=100, 196/1.8=94...(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 2.6-3.7 196=100, 194/3.0=72...(5) Violated in 0 structures by 0.00 A. Peak 7455 from cnoeabs.peaks (8.39, 4.05, 61.45 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 36 + HA SER 35 OK 100 100 100 100 3.5-3.6 3.6=100 H MET 67 - HA SER 35 far 0 98 0 - 7.1-7.6 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 2.4-4.0 4.4=100 H MET 67 - HB2 SER 35 far 0 98 0 - 8.3-10.1 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 2 assignments used, quality = 1.00: * H ASP 36 + HB3 SER 35 OK 100 100 100 100 3.3-4.0 4.4=100 H MET 67 - HB3 SER 35 far 0 98 0 - 8.2-9.0 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 2.6-3.0 203=100, 204/1.8=75...(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 3.3-3.8 204=100, 203/1.8=82...(4) Violated in 0 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 3.5-3.6 3.6=100 H GLU 89 - HA GLU 91 far 0 32 0 - 6.9-7.2 H ASP 84 - HA GLU 91 far 0 59 0 - 8.8-9.2 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 3.2-3.8 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 2.6-2.8 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 4.5-5.1 208/3.0=100, 3.6/3505=99...(8) 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 4.4-5.1 210=100, 208/3.0=95...(10) 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 1 assignment used, quality = 1.00: * H LYS 39 + HA LEU 38 OK 100 100 100 100 3.5-3.6 3.6=100 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 2.5-2.8 4.6=100 HE21 GLN 62 - HB2 LEU 38 far 0 65 0 - 8.4-10.5 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 3.9-4.1 4.6=100 HE21 GLN 62 - HB3 LEU 38 far 0 65 0 - 8.8-11.0 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 3.4-3.7 215=100, 216/2.1=99...(11) HE21 GLN 62 - HG LEU 38 far 0 65 0 - 8.9-11.7 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 2.0-2.5 216=100, 213/3.1=72...(14) HE21 GLN 62 - QD2 LEU 38 far 0 65 0 - 6.0-8.4 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; 3.55 A increased from 2.99 A): 1 out of 3 assignments used, quality = 0.63: H LYS 40 + HB3 LYS 39 OK 63 63 100 100 2.4-3.5 220=100, 1884/1241=66...(8) ! H LYS 40 - HB2 LYS 39 far 0 100 0 - 3.7-4.2 H LYS 96 - HB3 LYS 65 far 0 73 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 7474 from cnoeabs.peaks (7.78, 1.95, 32.05 ppm; 3.61 A increased from 3.04 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 39 OK 100 100 100 100 2.4-3.5 221=100, 1884/1242=70...(8) H LYS 40 - HB2 LYS 39 far 6 63 10 - 3.7-4.2 H LYS 96 - HB3 LYS 65 far 0 35 0 - 9.7-10.5 Violated in 0 structures by 0.00 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 2.8-4.9 1252/2.9=98, 222=96...(10) 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 1.9-3.9 223=100, 221/2.9=98...(9) Violated in 0 structures by 0.00 A. Peak 7477 from cnoeabs.peaks (7.78, 1.71, 29.31 ppm; 4.05 A): 0 out of 4 assignments used, quality = 0.00: H LYS 40 - HD3 LYS 39 far 10 100 10 - 4.1-6.1 ! H LYS 40 - HD2 LYS 39 far 0 100 0 - 4.3-6.1 H LYS 40 - HD3 LYS 44 far 0 86 0 - 8.1-10.6 H LYS 40 - HD2 LYS 44 far 0 83 0 - 9.0-10.6 Violated in 14 structures by 0.52 A. Peak 7478 from cnoeabs.peaks (7.78, 1.70, 29.31 ppm; 4.05 A): 0 out of 4 assignments used, quality = 0.00: ! H LYS 40 - HD3 LYS 39 far 10 100 10 - 4.1-6.1 H LYS 40 - HD2 LYS 39 far 0 100 0 - 4.3-6.1 H LYS 40 - HD3 LYS 44 far 0 87 0 - 8.1-10.6 H LYS 40 - HD2 LYS 44 far 0 85 0 - 9.0-10.6 Violated in 14 structures by 0.52 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 3.5-3.6 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 2.5-3.0 230=100, 228/1251=84...(5) 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 1 assignment used, quality = 1.00: * H GLU 41 + HB3 LYS 40 OK 100 100 100 100 3.0-4.0 230/1.8=97, 4.6=75...(6) Violated in 0 structures by 0.00 A. Peak 7484 from cnoeabs.peaks (8.72, 1.38, 24.98 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 41 + HG2 LYS 40 OK 100 100 100 100 3.5-5.2 5.0=100 H GLU 41 - HG3 LYS 43 far 8 84 10 - 4.7-7.0 H ARG 105 - HG2 LYS 94 far 4 29 15 - 5.1-7.5 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 2.8-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 7486 from cnoeabs.peaks (8.72, 1.68, 29.33 ppm; 5.35 A increased from 5.04 A): 1 out of 2 assignments used, quality = 0.95: * H GLU 41 + HD2 LYS 40 OK 95 100 95 100 4.5-5.6 230/3664=98, 3.6/3654=92...(6) H GLU 41 - HD3 LYS 40 far 5 100 5 - 4.9-6.6 Violated in 3 structures by 0.02 A. Peak 7487 from cnoeabs.peaks (8.72, 1.68, 29.33 ppm; 5.35 A increased from 5.04 A): 1 out of 2 assignments used, quality = 0.95: H GLU 41 + HD2 LYS 40 OK 95 100 95 100 4.5-5.6 230/3665=98, 3.6/3655=92...(6) ! H GLU 41 - HD3 LYS 40 far 5 100 5 - 4.9-6.6 Violated in 3 structures by 0.02 A. Peak 7490 from cnoeabs.peaks (8.78, 4.26, 58.07 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + HA GLU 41 OK 100 100 100 100 3.5-3.6 3.6=100 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 2.5-3.9 4.7=100 H MET 42 + HB3 GLU 41 OK 100 100 100 100 3.3-4.1 4.7=100 H VAL 29 - HB3 GLU 41 far 0 100 0 - 9.1-10.3 H ILE 5 - HB3 GLU 41 far 0 80 0 - 9.7-11.1 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 3.3-4.1 4.7=100 H MET 42 + HB2 GLU 41 OK 100 100 100 100 2.5-3.9 4.7=100 H VAL 29 - HB3 GLU 41 far 0 100 0 - 9.1-10.3 H ILE 5 - HB3 GLU 41 far 0 81 0 - 9.7-11.1 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 2 assignments used, quality = 1.00: * H MET 42 + HG2 GLU 41 OK 100 100 100 100 2.5-4.9 242=100, 1886/1263=97...(8) H VAL 29 - HG2 GLU 41 far 0 100 0 - 9.8-12.5 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 3.5-3.6 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 3.2-3.9 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 3.5-3.5 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): 2 out of 4 assignments used, quality = 0.99: H LYS 44 + HB2 LYS 44 OK 93 94 100 99 2.2-2.6 1284=62, 1286/2.9=47...(18) * H LYS 44 + HB2 LYS 43 OK 81 100 100 81 2.6-3.0 1888/1274=58, 254=39...(4) H LYS 44 - HB3 LYS 43 far 0 96 0 - 3.3-3.8 H LYS 44 - HB3 LYS 44 far 0 97 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 7503 from cnoeabs.peaks (7.45, 1.90, 31.96 ppm; 3.19 A): 2 out of 4 assignments used, quality = 0.95: H LYS 44 + HB2 LYS 43 OK 78 96 100 82 2.6-3.0 1888/1275=59, 254=40...(4) H LYS 44 + HB2 LYS 44 OK 76 77 100 99 2.2-2.6 1285=61, 1286/2.9=48...(18) ! H LYS 44 - HB3 LYS 43 far 0 100 0 - 3.3-3.8 H LYS 44 - HB3 LYS 44 far 0 92 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 7505 from cnoeabs.peaks (7.45, 1.37, 24.91 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 44 + HG3 LYS 43 OK 100 100 100 100 4.2-5.0 256=100, 1888/1277=93...(4) H LYS 44 - HG2 LYS 40 far 0 84 0 - 6.5-8.2 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 1 assignment used, quality = 1.00: * H LEU 45 + HA LYS 44 OK 100 100 100 100 3.5-3.5 3.6=100 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 = 0.98: * H LEU 45 + HB2 LYS 44 OK 95 100 100 95 2.6-3.8 4.7=52, 1889/4.0=48...(10) H LEU 45 + HB3 LYS 44 OK 62 97 65 98 3.6-4.2 3.6/3902=61, 4.7=52...(8) H ARG 95 - HB2 LYS 96 far 0 82 0 - 4.7-6.2 H LEU 45 - HB2 LYS 43 far 0 94 0 - 4.9-5.2 H LEU 45 - HB3 LYS 43 far 0 77 0 - 5.1-5.7 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 = 0.97: H LEU 45 + HB2 LYS 44 OK 93 97 100 95 2.6-3.8 4.7=52, 1889/4.0=48...(10) * H LEU 45 + HB3 LYS 44 OK 64 100 65 99 3.6-4.2 3.6/3903=61, 4.7=52...(9) H ARG 95 - HB2 LYS 96 far 0 97 0 - 4.7-6.2 H LEU 45 - HB2 LYS 43 far 0 97 0 - 4.9-5.2 H LEU 45 - HB3 LYS 43 far 0 92 0 - 5.1-5.7 H LEU 45 - HB2 LYS 73 far 0 75 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 7513 from cnoeabs.peaks (8.16, 1.58, 24.91 ppm; 5.83 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 45 + HG2 LYS 44 OK 100 100 100 100 2.3-4.5 265=100, 1889/1286=98...(11) H ARG 95 - HG3 LYS 96 far 0 73 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 7514 from cnoeabs.peaks (8.16, 1.44, 24.91 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 45 + HG3 LYS 44 OK 100 100 100 100 4.0-4.9 266=100, 265/1.8=100...(10) H ARG 95 - HG2 LYS 96 far 0 100 0 - 6.5-7.0 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 3.5-3.6 3.6=100 HD21 ASN 50 - HA LEU 45 far 5 99 5 - 4.0-10.9 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 2.2-2.6 4.3=100 HD21 ASN 50 - HB2 LEU 45 far 0 99 0 - 6.5-13.5 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 3.5-3.9 4.3=100 HD21 ASN 50 - HB3 LEU 45 far 0 99 0 - 5.2-12.4 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 3.8-3.8 4.9=100 HD21 ASN 50 - HG LEU 45 far 0 99 0 - 5.9-14.3 Violated in 0 structures by 0.00 A. Peak 7523 from cnoeabs.peaks (7.64, 0.75, 25.49 ppm; 4.49 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 46 + QD1 LEU 45 OK 100 100 100 100 4.1-4.5 276=100, 273/4020=85...(8) H LEU 64 - QD1 LEU 63 poor 10 28 35 - 4.4-5.1 HD21 ASN 50 - QD1 LEU 45 far 0 99 0 - 5.4-12.5 H GLU 69 - QD1 LEU 45 far 0 92 0 - 8.4-9.2 HD21 ASN 10 - QD1 LEU 63 far 0 35 0 - 8.9-12.0 H GLU 69 - QD1 LEU 63 far 0 29 0 - 10.0-10.5 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 4.3-4.4 277=100, 275/2.1=100...(9) HD21 ASN 50 - QD2 LEU 45 poor 20 99 20 - 3.1-10.7 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 3.3-3.5 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 2.9-3.2 280=100, 278/1301=63...(5) H LYS 73 - QB ALA 46 far 0 92 0 - 7.6-8.6 H LEU 70 - QB ALA 46 far 0 99 0 - 8.5-9.7 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 = 1.00: * H GLU 48 + HB2 GLU 47 OK 100 100 100 100 2.7-3.4 281/1304=88, 284/1.8=86, 4.6=78 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 3.3-3.8 284=100, 281/1305=79 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 2.1-3.6 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 2.6-4.5 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 97 100 100 97 2.3-5.6 4.4/4130=71, 3.6/4102=48...(5) * H ASN 50 + HG2 LYS 49 OK 91 100 100 91 3.2-5.8 3.6/4139=49...(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 97 100 100 97 2.3-5.6 4.4/4130=71, 3.6/4102=48...(5) H ASN 50 + HG2 LYS 49 OK 91 100 100 91 3.2-5.8 3.6/4139=49...(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 2 assignments used, quality = 1.00: * H PHE 51 + HA ASN 50 OK 100 100 100 100 2.1-3.1 3.6=100 H GLN 28 - HA ASN 50 far 0 100 0 - 9.7-14.2 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 2.3-4.5 4.6=100 H PHE 51 + HB3 ASN 50 OK 100 100 100 100 2.1-4.3 4.6=100 H GLN 28 - HB2 ASN 50 far 0 100 0 - 7.4-14.1 H GLN 28 - HB3 ASN 50 far 0 100 0 - 8.5-13.9 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 2.1-4.3 4.6=100 H PHE 51 + HB2 ASN 50 OK 100 100 100 100 2.3-4.5 4.6=100 H GLN 28 - HB2 ASN 50 far 0 100 0 - 7.4-14.1 H GLN 28 - HB3 ASN 50 far 0 100 0 - 8.5-13.9 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 2.1-2.6 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 1 assignment used, quality = 1.00: * H LYS 53 + HB2 GLU 52 OK 100 100 100 100 2.1-4.5 4.7=100 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 1 assignment used, quality = 1.00: * H LYS 53 + HB3 GLU 52 OK 100 100 100 100 2.4-4.0 4.7=100 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 2.1-2.2 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 3.9-4.3 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 = 1.00: * H LEU 55 + QG2 ILE 54 OK 100 100 100 100 2.2-2.9 327=100, 325/3.2=62...(8) 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 3.6-3.9 330=100, 327/4407=98...(9) H LEU 55 - QD1 ILE 5 far 0 78 0 - 6.9-7.5 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, 337/4.0=43...(8) 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 3.9-4.1 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 4.2-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 7573 from cnoeabs.peaks (9.18, 0.68, 26.27 ppm; 4.77 A increased from 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + QD1 LEU 55 OK 100 100 100 100 4.3-4.7 4.6=100 H ILE 56 - QD2 LEU 4 far 0 55 0 - 5.0-5.6 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 2.4-3.1 337=100, 335/2.1=85...(7) Violated in 0 structures by 0.00 A. Peak 7575 from cnoeabs.peaks (8.54, 5.06, 59.11 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + HA ILE 56 OK 100 100 100 100 2.2-2.2 339=100, 341/3.2=54...(12) 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 1 assignment used, quality = 1.00: * H ILE 57 + QG2 ILE 56 OK 100 100 100 100 1.9-2.3 341=100, 344/4491=69...(10) Violated in 0 structures by 0.00 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 4.9-5.0 344/2.1=99, 341/4477=97...(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 5.2-5.3 344/2.1=99, 341/3.2=97...(6) Violated in 4 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 3.3-3.6 344=100, 341/4473=100...(8) 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 2.1-2.2 3.6=100 H ASN 59 - HA ILE 57 far 0 73 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 7582 from cnoeabs.peaks (8.81, 1.82, 38.95 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H SER 58 + HB ILE 57 OK 100 100 100 100 3.9-4.3 4.4=100 H ASN 59 - HB ILE 57 far 4 73 5 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 7583 from cnoeabs.peaks (8.81, 0.84, 17.77 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H SER 58 + QG2 ILE 57 OK 100 100 100 100 2.3-2.9 348=100, 346/3.2=62...(11) H ASN 59 - QG2 ILE 57 far 0 73 0 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 7584 from cnoeabs.peaks (8.81, 1.46, 27.65 ppm; 5.14 A increased from 4.84 A): 1 out of 3 assignments used, quality = 1.00: * H SER 58 + HG12 ILE 57 OK 100 100 100 100 4.8-5.1 348/3.2=93, 349=90...(8) H ASN 59 - HG12 ILE 57 far 0 73 0 - 8.3-8.7 H ILE 54 - HG12 ILE 57 far 0 98 0 - 9.7-10.1 Violated in 1 structures by 0.00 A. Peak 7585 from cnoeabs.peaks (8.81, 0.86, 27.65 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * H SER 58 + HG13 ILE 57 OK 100 100 100 100 4.3-4.7 348/3.2=100, 7584/1.8=98...(8) H ILE 54 + HG13 ILE 5 OK 45 64 95 74 5.5-6.4 9480/4586=45...(3) H PHE 120 - HG13 ILE 5 far 0 43 0 - 7.4-8.2 H ASN 59 - HG13 ILE 57 far 0 73 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 7586 from cnoeabs.peaks (8.81, 0.71, 13.94 ppm; 5.49 A increased from 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H SER 58 + QD1 ILE 57 OK 100 100 100 100 4.9-5.4 348/4515=99, 346/4.2=89...(7) H ASN 59 - QD1 ILE 57 far 0 73 0 - 7.2-7.7 H ILE 54 - QD1 ILE 57 far 0 98 0 - 9.4-9.9 Violated in 0 structures by 0.00 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 2.2-2.3 353=100, 354/3.0=37...(6) 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 3.8-4.2 354=97, 353/3.0=82...(6) H SER 58 + HB2 SER 58 OK 73 73 100 100 2.5-2.8 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 3.5-4.0 4.5=88, 353/3.0=84...(6) H SER 58 + HB3 SER 58 OK 73 73 100 100 3.3-3.6 4.0=100 H MET 42 - HB3 SER 58 far 0 77 0 - 9.5-10.5 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 2.8-4.4 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 - 8.2-9.1 H ASN 10 - HA LYS 61 far 0 98 0 - 8.9-10.2 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 3.4-4.1 4.6=100 H GLN 83 - HB2 LYS 61 far 0 100 0 - 8.7-10.5 H ASN 10 - HB2 LYS 61 far 0 98 0 - 9.8-11.6 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 2.7-4.2 4.6=100 H GLN 83 - HB3 LYS 61 far 0 100 0 - 8.3-11.3 H ASN 10 - HB3 LYS 61 far 0 98 0 - 8.8-11.7 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 2.2-4.8 370=100, 368/3.0=96...(5) H GLN 83 - HG2 LYS 61 far 0 100 0 - 7.7-11.4 H ASN 10 - HG2 LYS 61 far 0 98 0 - 7.9-12.1 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 3.5-3.6 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 3.5-3.8 4.6=77, 379/1.8=71...(8) H LEU 63 + HB3 GLN 62 OK 99 100 100 99 2.2-2.7 4.6=77, 1905/4.0=65...(8) 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 3.5-3.8 4.6=77, 379/1.8=71...(8) * H LEU 63 + HB3 GLN 62 OK 99 100 100 99 2.2-2.7 4.6=77, 1905/4.0=65...(8) Violated in 0 structures by 0.00 A. Peak 7608 from cnoeabs.peaks (7.67, 2.41, 33.72 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.98: H LEU 63 + HG3 GLN 62 OK 98 100 100 98 3.1-4.2 378/3.0=56, 1905/5.2=45...(10) ! H LEU 63 - HG2 GLN 62 poor 19 100 20 96 4.2-4.8 379/3.0=56, 1905/5.2=45...(9) HE ARG 118 - HG2 GLN 122 far 0 71 0 - 5.1-11.3 Violated in 0 structures by 0.00 A. Peak 7609 from cnoeabs.peaks (7.67, 2.41, 33.72 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 63 + HG3 GLN 62 OK 98 100 100 98 3.1-4.2 378/3.0=56, 1905/5.2=45...(10) H LEU 63 - HG2 GLN 62 poor 20 100 20 - 4.2-4.8 HE ARG 118 - HG2 GLN 122 far 0 73 0 - 5.1-11.3 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 3.4-3.6 3.6=100 H ASP 34 - HA LEU 63 far 0 92 0 - 6.8-7.2 H GLU 69 - HA LEU 63 far 0 100 0 - 8.1-8.4 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 2.5-3.3 4.6=100 H ASP 34 - HB2 LEU 63 far 0 92 0 - 6.0-6.4 H GLU 69 - HB2 LEU 63 far 0 100 0 - 9.9-10.5 HD21 ASN 10 - HB2 LEU 63 far 0 77 0 - 9.9-13.5 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 3.1-3.9 387=100, 386/1.8=92...(7) H ASP 34 - HB3 LEU 63 far 0 92 0 - 5.5-6.0 H GLU 69 - HB3 LEU 63 far 0 100 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 7614 from cnoeabs.peaks (7.63, 0.71, 22.93 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.92: H ASP 34 + QD2 LEU 63 OK 92 92 100 100 3.4-4.0 9320/2.1=81...(8) ! H LEU 64 - QD2 LEU 63 far 0 100 0 - 4.5-4.8 H GLU 69 - QD2 LEU 63 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 7615 from cnoeabs.peaks (7.63, 0.74, 25.21 ppm; 4.03 A): 1 out of 11 assignments used, quality = 0.92: H ASP 34 + QD1 LEU 63 OK 92 92 100 100 2.4-2.7 9320=86, 3.0/11263=66...(11) H ALA 46 - QD1 LEU 45 far 1 28 5 - 4.1-4.5 ! H LEU 64 - QD1 LEU 63 far 0 100 0 - 4.4-5.1 H LEU 64 - QD2 LEU 6 far 0 84 0 - 5.2-5.9 HD21 ASN 50 - QD1 LEU 45 far 0 32 0 - 5.4-12.5 H GLU 69 - QD2 LEU 6 far 0 84 0 - 6.2-7.1 H GLU 69 - QD1 LEU 45 far 0 36 0 - 8.4-9.2 HD21 ASN 10 - QD1 LEU 63 far 0 77 0 - 8.9-12.0 H ASP 34 - QD2 LEU 6 far 0 72 0 - 9.1-9.7 H LEU 74 - QD2 LEU 6 far 0 51 0 - 9.8-10.8 H GLU 69 - QD1 LEU 63 far 0 100 0 - 10.0-10.5 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 2 assignments used, quality = 1.00: * H LYS 65 + HA LEU 64 OK 100 100 100 100 3.6-3.6 3.6=100 H THR 9 - HA LEU 64 far 0 98 0 - 8.3-8.8 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 3.8-4.0 4.2=100 H THR 9 - HB2 LEU 64 far 0 98 0 - 6.6-7.0 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 2.4-2.6 4.2=100 H THR 9 - HB3 LEU 64 far 0 98 0 - 7.8-8.2 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 7 assignments used, quality = 1.00: * H LYS 65 + HG LEU 64 OK 100 100 100 100 3.7-3.7 397/2.1=77, 394/3.0=76...(11) H LEU 90 + HG LEU 90 OK 83 92 90 100 4.2-4.3 1594=79, 3.0/5779=64...(9) H ARG 118 - HG LEU 114 far 0 70 0 - 7.2-7.8 H ASP 109 - HG LEU 114 far 0 86 0 - 8.0-8.5 H THR 9 - HG LEU 64 far 0 98 0 - 8.4-8.9 H VAL 22 - HG LEU 114 far 0 87 0 - 8.8-9.5 H SER 72 - HG LEU 64 far 0 77 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 7620 from cnoeabs.peaks (8.04, 0.81, 24.93 ppm; 4.82 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 65 + QD1 LEU 64 OK 100 100 100 100 4.2-4.4 4.7=100 H THR 9 - QD1 LEU 64 far 0 98 0 - 5.4-5.8 H VAL 22 - QD1 LEU 114 far 0 65 0 - 6.7-7.3 H ARG 118 - QD1 LEU 114 far 0 50 0 - 6.7-7.4 H ASP 109 - QD1 LEU 114 far 0 65 0 - 8.4-8.9 H SER 72 - QD1 LEU 64 far 0 77 0 - 9.9-10.5 H LEU 90 - QD1 LEU 64 far 0 94 0 - 10.0-10.5 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 2.0-2.3 4.7=100 H THR 9 - QD2 LEU 64 far 0 98 0 - 7.7-8.1 H SER 72 - QD2 LEU 64 far 0 77 0 - 8.9-9.2 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 3.6-3.6 3.6=100 H LYS 96 - HA LYS 65 far 0 70 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 7623 from cnoeabs.peaks (7.80, 1.93, 32.27 ppm; 2.86 A): 1 out of 5 assignments used, quality = 0.96: * H GLU 66 + HB2 LYS 65 OK 96 100 100 96 2.1-2.5 400=88, 7625/2.9=28...(5) H GLU 66 - HB3 LYS 65 far 0 100 0 - 3.3-3.7 H GLU 66 - HB3 LYS 39 far 0 42 0 - 9.2-11.2 H LYS 96 - HB3 LYS 65 far 0 69 0 - 9.7-10.5 H GLU 66 - HB2 LYS 39 far 0 79 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 7624 from cnoeabs.peaks (7.80, 1.93, 32.27 ppm; 2.86 A): 1 out of 5 assignments used, quality = 0.96: H GLU 66 + HB2 LYS 65 OK 96 100 100 96 2.1-2.5 401=88, 7625/2.9=28...(5) ! H GLU 66 - HB3 LYS 65 far 0 100 0 - 3.3-3.7 H GLU 66 - HB3 LYS 39 far 0 38 0 - 9.2-11.2 H LYS 96 - HB3 LYS 65 far 0 70 0 - 9.7-10.5 H GLU 66 - HB2 LYS 39 far 0 79 0 - 9.9-10.7 Violated in 0 structures by 0.00 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 3.8-4.1 402=85, 7623/2.9=84...(7) H LYS 96 - HG2 LYS 65 far 0 70 0 - 9.6-10.5 Violated in 2 structures by 0.00 A. Peak 7626 from cnoeabs.peaks (7.80, 1.34, 24.91 ppm; 5.10 A increased from 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 66 + HG3 LYS 65 OK 100 100 100 100 4.6-4.9 7624/2.9=99, 7625/1.8=97...(5) H LYS 96 - HG3 LYS 65 far 0 70 0 - 8.3-9.2 Violated in 0 structures by 0.00 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 2.8-2.9 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 2 assignments used, quality = 1.00: * H MET 67 + HB2 GLU 66 OK 100 100 100 100 3.2-3.8 4.1=100 H ASP 36 - HB2 GLU 66 far 0 98 0 - 8.7-9.3 Violated in 0 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 2.5-2.8 411=100, 408/1435=68...(7) H MET 67 - HB3 GLU 69 far 0 92 0 - 7.0-7.3 H ASP 36 - HB3 GLU 66 far 0 98 0 - 8.6-9.2 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 4.3-4.8 5.0=100 H ASP 36 - HG2 GLU 66 far 0 98 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 7635 from cnoeabs.peaks (8.39, 2.19, 36.01 ppm; 5.29 A increased from 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H MET 67 + HG3 GLU 66 OK 100 100 100 100 5.0-5.2 5.0=100 H ASP 36 - HG3 GLU 66 far 0 98 0 - 7.7-8.7 Violated in 0 structures by 0.00 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 3.4-3.8 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 2.2-2.6 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 4.0-4.7 419=100, 417/3.0=100...(10) Violated in 0 structures by 0.00 A. Peak 7641 from cnoeabs.peaks (8.47, 1.88, 16.76 ppm; 5.17 A increased from 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + QE MET 67 OK 100 100 100 100 4.9-5.2 417/4951=85, 416/4950=84...(8) Violated in 2 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 3.6-3.6 3.6=100 H LEU 74 - HA LEU 68 far 0 65 0 - 7.6-8.4 H LEU 64 - HA LEU 68 far 0 100 0 - 8.4-8.8 H GLN 100 - HA LEU 68 far 0 99 0 - 9.2-10.1 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 2.2-2.5 423=100, 424/1.8=76...(6) H LYS 115 + HB2 LEU 114 OK 59 60 100 98 2.4-3.2 4.3=77, 4772/3.0=58...(5) H LEU 64 - HB2 LEU 68 far 0 100 0 - 7.2-7.8 H GLN 100 - HB2 LEU 68 far 0 99 0 - 7.8-8.5 H LEU 74 - HB2 LEU 68 far 0 65 0 - 9.4-10.2 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 3.2-3.6 424=100, 423/1.8=84...(5) H GLN 100 - HB3 LEU 68 far 0 99 0 - 6.9-7.8 H LEU 64 - HB3 LEU 68 far 0 100 0 - 8.6-9.0 H LEU 74 - HB3 LEU 68 far 0 65 0 - 8.8-9.6 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 3.8-4.4 425=100, 423/3.0=100...(6) H LEU 64 + HG LEU 68 OK 86 100 95 91 5.9-6.4 ~11053=56, ~9754=56...(5) H GLN 100 - HG LEU 68 far 0 99 0 - 9.1-9.9 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 3.7-4.3 4.9=100 H LEU 64 + QD1 LEU 68 OK 100 100 100 100 5.4-6.1 1417/11071=81...(8) H GLN 100 + QD1 LEU 68 OK 47 99 90 53 5.8-6.6 11311/9753=44, 724/11496=14 H LEU 74 - QD1 LEU 68 far 0 65 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 7647 from cnoeabs.peaks (7.63, 0.38, 23.07 ppm; 6.20 A): 1 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 far 5 100 5 - 6.0-7.0 H GLN 100 - QD2 LEU 68 far 0 99 0 - 6.6-8.3 H LEU 74 - QD2 LEU 68 far 0 65 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 7648 from cnoeabs.peaks (7.72, 4.05, 59.42 ppm; 3.77 A): 2 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 89 91 100 97 3.1-3.5 2074=73, 1304/8090=59...(5) H LYS 73 - HA GLU 69 far 0 98 0 - 4.3-4.9 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 2.2-3.5 430=100, 431/1.8=87...(5) H LYS 73 - HB2 GLU 69 far 0 98 0 - 5.7-6.9 H LYS 73 - HB2 GLN 100 far 0 80 0 - 8.1-10.6 H LEU 70 - HB2 GLN 100 far 0 84 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 7650 from cnoeabs.peaks (7.72, 2.09, 29.14 ppm; 3.90 A increased from 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 GLU 69 OK 100 100 100 100 3.3-3.9 431=100, 430/1.8=80...(6) H LYS 73 - HB3 GLU 69 far 0 98 0 - 5.1-5.8 H LEU 70 - HB3 GLU 66 far 0 92 0 - 5.7-6.1 Violated in 1 structures by 0.00 A. Peak 7651 from cnoeabs.peaks (7.72, 2.27, 36.01 ppm; 4.30 A increased from 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HG2 GLU 69 OK 100 100 100 100 2.5-4.2 430/5017=81, 431/3.0=73...(6) H LYS 73 - HG2 GLU 69 far 0 98 0 - 5.3-7.9 Violated in 0 structures by 0.00 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 2.1-4.8 7651/1.8=91, 431/5024=89...(6) H LYS 73 - HG3 GLU 69 far 0 98 0 - 6.6-7.3 Violated in 0 structures by 0.00 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 2.7-2.9 4.5=100 H ALA 124 - HB2 LEU 127 far 0 77 0 - 5.3-6.5 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 3.7-3.9 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 4.4-4.6 436/3.0=100...(6) H ALA 124 + HG LEU 127 OK 81 82 100 100 4.1-5.0 ~10653=81, ~8322=59...(9) Violated in 0 structures by 0.00 A. Peak 7657 from cnoeabs.peaks (8.60, 0.91, 25.18 ppm; 4.49 A increased from 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + QD1 LEU 70 OK 100 100 100 100 4.2-4.5 439=95, 436/3.1=77...(7) Violated in 0 structures by 0.00 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 4.8-4.9 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 3.5-3.5 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 2.6-3.0 4.5=100 H LYS 65 - HB ILE 71 far 0 77 0 - 9.8-10.1 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 3.4-3.8 4.1=100 H LYS 65 - QG2 ILE 71 far 0 77 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 7662 from cnoeabs.peaks (8.02, 1.69, 28.69 ppm; 5.40 A): 2 out of 10 assignments used, quality = 1.00: * H SER 72 + HG12 ILE 71 OK 100 100 100 100 4.3-4.4 443/3.0=91, 444/3.2=87...(13) H SER 72 + HD3 LYS 73 OK 22 78 45 62 4.1-7.2 1915/6.4=48, 445=13...(4) H SER 72 - HD2 LYS 73 poor 15 83 30 62 4.5-7.1 1915/6.4=48, 445/1.8=12...(4) H VAL 22 - HD3 LYS 20 far 3 66 5 - 4.7-7.1 H VAL 22 - HD2 LYS 20 lone 0 69 30 1 5.2-6.6 H LYS 65 - HD3 LYS 96 far 0 38 0 - 7.8-13.0 H GLY 26 - HD3 LYS 20 far 0 88 0 - 8.7-15.0 H LYS 65 - HD2 LYS 96 far 0 32 0 - 8.9-12.5 H GLY 26 - HD2 LYS 20 far 0 91 0 - 9.5-13.2 H LYS 65 - HG12 ILE 71 far 0 77 0 - 9.6-9.9 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 3.5-3.6 3.6=100 H LEU 70 - HA SER 72 far 0 98 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 7666 from cnoeabs.peaks (7.72, 4.12, 62.78 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 73 + HB2 SER 72 OK 100 100 100 100 2.4-4.2 4.6=100 H LYS 73 + HB3 SER 72 OK 100 100 100 100 2.6-3.7 4.6=100 H LEU 70 - HB3 SER 72 far 0 98 0 - 4.9-5.4 H LEU 70 - HB2 SER 72 far 0 98 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 7667 from cnoeabs.peaks (7.72, 4.12, 62.78 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: H LYS 73 + HB2 SER 72 OK 100 100 100 100 2.4-4.2 4.6=100 * H LYS 73 + HB3 SER 72 OK 100 100 100 100 2.6-3.7 4.6=100 H LEU 70 - HB3 SER 72 far 0 98 0 - 4.9-5.4 H LEU 70 - HB2 SER 72 far 0 98 0 - 5.8-6.9 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 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 7669 from cnoeabs.peaks (7.61, 1.90, 32.15 ppm; 3.04 A): 2 out of 9 assignments used, quality = 0.82: * H LEU 74 + HB2 LYS 73 OK 61 100 75 82 2.4-4.2 454=46, 452/1478=37...(6) H LYS 16 + HB3 LYS 16 OK 53 60 95 93 2.7-3.6 455=50, 1106/3.0=48...(8) H LEU 74 - HB3 LYS 73 far 0 100 0 - 3.6-4.3 H GLN 100 - HB2 LYS 96 far 0 70 0 - 6.2-7.8 H LYS 16 - HB2 LYS 20 far 0 81 0 - 7.6-8.8 H GLU 69 - HB2 LYS 73 far 0 65 0 - 7.8-8.9 H GLU 69 - HB3 LYS 73 far 0 65 0 - 9.3-9.8 H LYS 16 - HB3 LYS 20 far 0 81 0 - 9.3-9.6 H GLU 69 - HB2 LYS 96 far 0 56 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 7670 from cnoeabs.peaks (7.61, 1.89, 32.15 ppm; 3.04 A): 2 out of 10 assignments used, quality = 0.84: H LEU 74 + HB2 LYS 73 OK 61 100 75 82 2.4-4.2 454=46, 452/1479=37...(6) H LYS 16 + HB3 LYS 16 OK 58 65 95 93 2.7-3.6 1105=53, 1106/3.0=48...(8) H LYS 16 - HB2 LYS 16 far 3 60 5 - 2.6-3.6 ! H LEU 74 - HB3 LYS 73 far 0 100 0 - 3.6-4.3 H GLN 100 - HB2 LYS 96 far 0 67 0 - 6.2-7.8 H LYS 16 - HB2 LYS 20 far 0 83 0 - 7.6-8.8 H GLU 69 - HB2 LYS 73 far 0 65 0 - 7.8-8.9 H GLU 69 - HB3 LYS 73 far 0 65 0 - 9.3-9.8 H LYS 16 - HB3 LYS 20 far 0 83 0 - 9.3-9.6 H GLU 69 - HB2 LYS 96 far 0 53 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 7671 from cnoeabs.peaks (7.61, 1.60, 24.91 ppm; 4.60 A increased from 4.33 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 74 + HG2 LYS 73 OK 97 100 100 97 3.6-4.5 452/1480=75, 7669/2.9=49...(7) H GLU 69 - HG2 LYS 73 far 0 65 0 - 6.5-7.9 Violated in 0 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 2.1-4.6 7671/1.8=100...(12) H GLU 69 - HG3 LYS 73 far 0 65 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 7673 from cnoeabs.peaks (7.61, 1.68, 28.78 ppm; 5.71 A increased from 5.07 A): 4 out of 12 assignments used, quality = 1.00: * H LEU 74 + HD2 LYS 73 OK 100 100 100 100 3.5-5.6 3.6/5174=91, 7671/3.0=88...(8) H LEU 74 + HD3 LYS 73 OK 85 100 85 99 3.5-6.2 7671/3.0=88, 7672/3.0=67...(8) H GLU 69 + HG12 ILE 71 OK 38 47 100 82 5.4-5.8 3.6/11370=53...(4) H LEU 74 + HG12 ILE 71 OK 21 83 30 83 5.8-6.2 9790/3.9=73, 9802/445=20...(4) H GLN 100 - HD2 LYS 96 poor 14 71 20 - 5.5-8.4 H LYS 16 - HD3 LYS 20 far 0 98 0 - 6.7-10.7 H GLU 69 - HD3 LYS 73 far 0 65 0 - 6.8-9.8 H GLN 100 - HD3 LYS 96 far 0 73 0 - 7.1-9.7 H LYS 16 - HD2 LYS 20 far 0 98 0 - 7.4-10.6 H GLU 69 - HD2 LYS 73 far 0 65 0 - 7.6-10.4 H GLU 69 - HD3 LYS 96 far 0 59 0 - 8.7-14.7 H GLU 69 - HD2 LYS 96 far 0 57 0 - 8.8-14.0 Violated in 0 structures by 0.00 A. Peak 7674 from cnoeabs.peaks (7.61, 1.68, 28.78 ppm; 5.71 A increased from 5.07 A): 3 out of 12 assignments used, quality = 1.00: H LEU 74 + HD2 LYS 73 OK 100 100 100 100 3.5-5.6 3.6/5184=91, 7671/3.0=88...(8) * H LEU 74 + HD3 LYS 73 OK 85 100 85 99 3.5-6.2 7671/3.0=88, 7672/3.0=67...(8) H GLU 69 + HG12 ILE 71 OK 35 44 100 79 5.4-5.8 3.6/11370=48...(4) H LEU 74 - HG12 ILE 71 poor 19 78 30 83 5.8-6.2 9790/3.9=73, 9802/445=19...(4) H GLN 100 - HD2 LYS 96 poor 14 72 20 - 5.5-8.4 H LYS 16 - HD3 LYS 20 far 0 98 0 - 6.7-10.7 H GLU 69 - HD3 LYS 73 far 0 65 0 - 6.8-9.8 H GLN 100 - HD3 LYS 96 far 0 74 0 - 7.1-9.7 H LYS 16 - HD2 LYS 20 far 0 97 0 - 7.4-10.6 H GLU 69 - HD2 LYS 73 far 0 65 0 - 7.6-10.4 H GLU 69 - HD3 LYS 96 far 0 59 0 - 8.7-14.7 H GLU 69 - HD2 LYS 96 far 0 58 0 - 8.8-14.0 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 3.5-3.6 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 2.2-2.9 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 3.0-3.2 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 3.4-3.5 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 2.1-2.2 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 3.9-4.2 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 2.9-3.4 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 3.7-4.1 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...(7) Violated in 0 structures by 0.00 A. Peak 7692 from cnoeabs.peaks (7.83, 1.84, 32.22 ppm; 4.48 A increased from 4.21 A): 2 out of 3 assignments used, quality = 1.00: H VAL 78 + HB3 LYS 77 OK 100 100 100 100 4.2-4.6 4.3=100 * H VAL 78 + HB2 LYS 77 OK 80 100 80 100 3.7-4.6 4.3=100 H TYR 27 - HB3 LYS 19 far 0 55 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7694 from cnoeabs.peaks (7.83, 1.35, 24.49 ppm; 5.48 A increased from 5.16 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 78 + HG2 LYS 77 OK 100 100 100 100 4.9-5.5 485/1.8=96, 487/3.0=93...(5) H ILE 97 - HG2 LYS 94 poor 17 41 40 - 5.0-6.8 Violated in 2 structures by 0.00 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 3.2-4.6 485=100, 487/3.0=85...(6) 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 = 0.96: * H VAL 78 + HD2 LYS 77 OK 95 100 95 100 2.7-4.6 486=100, 485/3.0=53...(4) H VAL 78 + HD3 LYS 77 OK 29 100 30 97 3.8-5.2 487/1.8=82, 485/3.0=53...(4) 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 = 0.96: H VAL 78 + HD2 LYS 77 OK 95 100 95 100 2.7-4.6 487=100, 485/3.0=53...(4) * H VAL 78 + HD3 LYS 77 OK 29 100 30 97 3.8-5.2 487/1.8=82, 485/3.0=53...(4) 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...(10) 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 3.9-4.2 4.4=100 H MET 67 - HB VAL 78 far 0 57 0 - 9.5-10.2 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 3.4-3.8 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 1.9-2.2 4.1=75, 491/3.2=65...(14) H MET 67 - QG1 VAL 78 far 0 57 0 - 7.3-7.9 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 2.1-2.4 3.6=100 H ALA 124 - HA PHE 79 far 0 100 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 7705 from cnoeabs.peaks (8.60, 1.04, 40.18 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 80 + HB2 PHE 79 OK 100 100 100 100 2.6-3.5 4.5=100 H ALA 124 - HB2 PHE 79 far 0 100 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 7706 from cnoeabs.peaks (8.60, 2.08, 40.18 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 80 + HB3 PHE 79 OK 100 100 100 100 3.6-4.3 4.5=100 H ALA 124 - HB3 PHE 79 far 0 100 0 - 7.3-7.9 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, 508/5472=48...(8) H LEU 4 - HA LEU 80 far 0 65 0 - 9.0-9.5 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 2 assignments used, quality = 1.00: * H LEU 81 + HB2 LEU 80 OK 100 100 100 100 4.1-4.2 4.2=100 H LEU 4 - HB2 LEU 80 far 0 65 0 - 9.7-10.1 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 1 assignment used, quality = 1.00: * H LEU 81 + HB3 LEU 80 OK 100 100 100 100 4.0-4.2 4.2=100 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 1 assignment used, quality = 1.00: * H LEU 81 + QD2 LEU 80 OK 100 100 100 100 4.3-4.5 5.0=100 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 = 1.00: * H LEU 81 + QD1 LEU 80 OK 100 100 100 100 1.9-2.1 509=100, 504/5473=65...(9) H LEU 4 - QD1 LEU 80 far 0 65 0 - 9.1-9.6 Violated in 0 structures by 0.00 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 2.1-2.1 511=100, 515/5538=55...(7) 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 4.2-4.4 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 3.6-3.8 514=100, 515/2.1=99...(5) 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 = 1.00: * H LEU 82 + QD1 LEU 81 OK 100 100 100 100 2.6-2.8 515=100, 513/2.1=61...(9) Violated in 0 structures by 0.00 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 2.2-2.3 3.6=100 H ASN 10 - HA LEU 82 far 0 100 0 - 6.6-6.9 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 2 assignments used, quality = 1.00: * H GLN 83 + HB3 LEU 82 OK 100 100 100 100 2.7-3.0 4.5=100 H ASN 10 - HB3 LEU 82 far 0 100 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 7725 from cnoeabs.peaks (8.44, 1.60, 26.76 ppm; 4.88 A increased from 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 83 + HG LEU 82 OK 100 100 100 100 4.7-4.8 522/2.1=97, 519/5574=79...(6) H ASN 10 - HG LEU 82 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 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 2.9-3.4 522=100, 518/5580=72...(9) H ASN 10 - QD2 LEU 82 far 0 100 0 - 6.0-6.7 H GLN 62 - QD2 LEU 82 far 0 100 0 - 7.2-7.9 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 2 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 - 9.6-10.3 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 4.2-4.4 4.4=100 H GLU 111 - HB2 GLN 83 far 0 96 0 - 9.4-10.3 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 2.7-3.2 528=100, 529/1.8=87...(7) H GLU 111 - HG2 GLN 83 far 0 96 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 7732 from cnoeabs.peaks (8.21, 2.12, 33.72 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 84 + HG3 GLN 83 OK 100 100 100 100 4.1-4.4 529=100, 528/1.8=100...(6) H GLU 111 - HG3 GLN 83 far 0 96 0 - 6.9-7.7 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 2.2-2.3 533=100, 534/3.0=34...(5) H THR 108 - HA ASP 84 far 0 84 0 - 7.2-7.5 H ASN 8 - HA ASP 84 far 0 70 0 - 9.2-9.4 H LYS 94 - HA ASP 84 far 0 90 0 - 10.0-10.7 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 3.0-3.8 4.6=100 H THR 108 - HB2 ASP 84 far 0 84 0 - 7.6-8.3 H LYS 94 - HB2 ASP 84 far 0 90 0 - 7.6-8.1 H ASN 8 - HB2 ASP 84 far 0 70 0 - 9.7-10.5 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 4.1-4.3 4.6=100 H LYS 94 - HB3 ASP 84 far 0 90 0 - 7.1-8.2 H THR 108 - HB3 ASP 84 far 0 84 0 - 7.7-8.4 H ASN 8 - HB3 ASP 84 far 0 70 0 - 8.2-9.0 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 3.3-3.4 3.6=100 H ASP 110 - HA GLN 85 far 0 99 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 7737 from cnoeabs.peaks (8.69, 2.17, 29.33 ppm; 4.36 A increased from 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 86 + HB2 GLN 85 OK 100 100 100 100 3.9-4.4 538=97, 7738/1.8=94...(7) H ARG 105 - HB2 GLU 98 far 0 68 0 - 7.7-8.5 H ASP 110 - HB2 GLN 85 far 0 99 0 - 8.6-10.3 Violated in 1 structures by 0.00 A. Peak 7738 from cnoeabs.peaks (8.69, 2.04, 29.33 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.84: * H ASP 86 + HB3 GLN 85 OK 84 100 85 99 3.2-4.1 539=82, 537/3.0=55...(8) H ASP 86 - HB2 GLU 89 far 0 98 0 - 4.8-7.0 H ASP 86 - HB3 GLU 89 far 0 98 0 - 6.2-6.9 H ASP 86 - HB3 GLU 87 far 0 73 0 - 6.8-6.9 H ASP 110 - HB3 GLN 85 far 0 99 0 - 8.6-10.8 H ARG 105 - HB3 GLU 98 far 0 44 0 - 9.2-10.0 Violated in 3 structures by 0.08 A. Peak 7739 from cnoeabs.peaks (8.69, 2.41, 33.72 ppm; 5.32 A increased from 4.48 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 86 + HG2 GLN 85 OK 100 100 100 100 2.7-5.4 7738/3.0=94, 537/3.9=85...(6) H ASP 86 + HG3 GLN 85 OK 90 100 90 100 3.5-5.5 7738/3.0=94, 537/3.9=85...(6) H ASP 110 - HG2 GLN 85 far 0 99 0 - 7.3-11.4 H ASP 110 - HG3 GLN 85 far 0 98 0 - 7.5-11.6 Violated in 0 structures by 0.00 A. Peak 7740 from cnoeabs.peaks (8.69, 2.40, 33.72 ppm; 5.32 A increased from 4.48 A): 2 out of 4 assignments used, quality = 1.00: H ASP 86 + HG2 GLN 85 OK 100 100 100 100 2.7-5.4 7738/3.0=94, 537/3.9=85...(6) * H ASP 86 + HG3 GLN 85 OK 90 100 90 100 3.5-5.5 7738/3.0=94, 537/3.9=85...(6) H ASP 110 - HG2 GLN 85 far 0 98 0 - 7.3-11.4 H ASP 110 - HG3 GLN 85 far 0 99 0 - 7.5-11.6 Violated in 0 structures by 0.00 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 2.1-2.2 545=100, 546/3.0=28...(4) Violated in 0 structures by 0.00 A. Peak 7742 from cnoeabs.peaks (8.64, 2.93, 40.96 ppm; 4.48 A increased from 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HB2 ASP 86 OK 100 100 100 100 3.6-4.2 546=100, 545/3.0=90...(5) Violated in 0 structures by 0.00 A. Peak 7743 from cnoeabs.peaks (8.64, 2.57, 40.96 ppm; 4.71 A increased from 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HB3 ASP 86 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 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 3.4-3.5 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 2.7-3.1 550=100, 7746/1.8=84...(4) 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 4.0-4.3 551=93, 550/1.8=88...(6) H ASN 88 - HB3 GLN 85 far 0 73 0 - 7.8-9.2 Violated in 1 structures by 0.00 A. Peak 7747 from cnoeabs.peaks (8.53, 2.29, 36.01 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: H ASN 88 + HG3 GLU 87 OK 100 100 100 100 3.8-3.9 553=100, 550/5707=79...(7) ! H ASN 88 - HG2 GLU 87 far 0 100 0 - 4.5-4.6 Violated in 0 structures by 0.00 A. Peak 7748 from cnoeabs.peaks (8.53, 2.29, 36.01 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 88 + HG3 GLU 87 OK 100 100 100 100 3.8-3.9 553=100, 550/5707=79...(7) H ASN 88 - HG2 GLU 87 far 0 100 0 - 4.5-4.6 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 3.6-3.6 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 3.3-3.4 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 2.2-2.3 4.2=100 Violated in 0 structures by 0.00 A. Peak 7752 from cnoeabs.peaks (8.05, 4.15, 58.25 ppm; 3.73 A increased from 3.32 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 90 + HA GLU 89 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7753 from cnoeabs.peaks (8.05, 2.04, 29.24 ppm; 4.25 A increased from 3.40 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 90 + HB2 GLU 89 OK 99 100 100 99 2.5-4.2 4.7=76, 7756/5756=62...(6) H LEU 90 + HB3 GLU 89 OK 99 100 100 99 3.7-4.2 4.7=76, 7756/3.0=58...(6) H LYS 65 - HB2 GLU 66 far 0 94 0 - 6.2-6.4 H ASP 109 - HB3 GLN 85 far 0 85 0 - 7.6-9.5 H LEU 90 - HB3 GLN 85 far 0 98 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 7754 from cnoeabs.peaks (8.05, 2.04, 29.24 ppm; 4.25 A increased from 3.40 A): 2 out of 5 assignments used, quality = 1.00: H LEU 90 + HB2 GLU 89 OK 99 100 100 99 2.5-4.2 4.7=76, 7756/5756=62...(6) * H LEU 90 + HB3 GLU 89 OK 99 100 100 99 3.7-4.2 4.7=76, 7756/3.0=58...(6) H LYS 65 - HB2 GLU 66 far 0 94 0 - 6.2-6.4 H ASP 109 - HB3 GLN 85 far 0 85 0 - 7.6-9.5 H LEU 90 - HB3 GLN 85 far 0 98 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 7755 from cnoeabs.peaks (8.05, 2.26, 36.01 ppm; 5.13 A increased from 4.32 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 90 + HG2 GLU 89 OK 100 100 100 100 2.2-4.9 7756/1.8=93...(5) H LEU 90 - HG3 GLU 92 far 5 100 5 - 5.0-6.1 H LYS 65 - HG2 GLU 69 far 0 73 0 - 6.1-9.0 H ASP 109 - HG3 GLU 111 far 0 82 0 - 6.2-9.5 H GLN 122 - HG2 GLU 103 far 0 58 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 7756 from cnoeabs.peaks (8.05, 2.31, 36.01 ppm; 4.45 A increased from 4.19 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 90 + HG3 GLU 89 OK 97 100 100 97 2.0-4.4 1932/5769=68...(5) H LEU 90 - HG2 GLU 92 far 0 97 0 - 5.5-7.4 Violated in 0 structures by 0.00 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 2.5-2.7 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 3.9-4.0 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 2.8-3.2 570=100, 571/2.1=97...(8) 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 3.6-3.9 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 4.0-4.3 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): 1 out of 6 assignments used, quality = 1.00: * H GLU 92 + HA GLU 91 OK 100 100 100 100 3.6-3.6 3.6=100 H SER 99 - HA LYS 96 far 0 57 0 - 4.0-4.3 H PHE 93 - HA GLU 91 far 0 77 0 - 4.1-4.9 H PHE 93 - HA LYS 96 far 0 47 0 - 7.1-7.4 H GLU 92 - HA LYS 96 far 0 70 0 - 8.3-8.9 H SER 99 - HA GLU 91 far 0 90 0 - 9.5-10.1 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 = 1.00: * H GLU 92 + HB2 GLU 91 OK 100 100 100 100 2.3-2.4 575=100, 7765/1.8=73...(6) H PHE 93 - HB2 GLU 91 far 0 77 0 - 4.8-5.2 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 2 assignments used, quality = 0.99: * H GLU 92 + HB3 GLU 91 OK 99 100 100 99 3.4-3.5 1606/1.8=83...(7) H PHE 93 - HB3 GLU 91 far 0 77 0 - 5.5-6.0 Violated in 4 structures by 0.00 A. Peak 7766 from cnoeabs.peaks (8.09, 2.42, 35.05 ppm; 6.10 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 92 + HG2 GLU 91 OK 100 100 100 100 4.1-4.3 575/3.0=100...(5) H PHE 93 - HG2 GLU 91 lone 1 77 45 2 5.7-6.4 H SER 99 - HG2 GLU 91 far 0 90 0 - 9.1-10.0 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 3 assignments used, quality = 1.00: * H GLU 92 + HG3 GLU 91 OK 100 100 100 100 4.7-5.0 1606/3.0=98...(6) H PHE 93 - HG3 GLU 91 far 0 77 0 - 6.0-7.1 H SER 99 - HG3 GLU 91 far 0 90 0 - 9.7-10.9 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 3.5-3.6 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 - 6.6-7.1 H GLU 128 - HA LYS 123 far 0 52 0 - 7.1-7.8 H SER 99 - HA GLU 92 far 0 99 0 - 9.0-9.7 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 4 assignments used, quality = 0.99: * H PHE 93 + HB2 GLU 92 OK 95 100 95 100 2.3-3.5 581=100, 7770/1.8=66...(7) H GLU 92 + HB2 GLU 92 OK 77 77 100 100 2.2-2.6 1605=70, 7772/5858=45...(21) H SER 99 - HB3 GLN 100 far 0 56 0 - 4.5-5.9 H ALA 113 - HB2 GLU 13 far 0 35 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 7770 from cnoeabs.peaks (8.10, 2.11, 28.93 ppm; 3.41 A increased from 3.21 A): 1 out of 4 assignments used, quality = 0.95: * H PHE 93 + HB3 GLU 92 OK 95 100 95 100 2.9-3.8 582=94, 581/1.8=84...(6) H GLU 92 - HB3 GLU 92 far 4 77 5 - 3.5-3.6 H VAL 117 - HB2 GLU 119 far 0 47 0 - 4.8-6.0 H VAL 117 - HB3 GLU 119 far 0 56 0 - 6.6-7.3 Violated in 2 structures by 0.02 A. Peak 7771 from cnoeabs.peaks (8.10, 2.32, 36.01 ppm; 3.68 A): 1 out of 6 assignments used, quality = 0.73: H GLU 92 + HG2 GLU 92 OK 73 77 95 100 3.3-3.9 7772/1.8=69, 1607=62...(19) ! H PHE 93 - HG2 GLU 92 far 5 100 5 - 3.3-5.0 H PHE 93 - HG3 GLU 89 far 0 97 0 - 5.5-7.8 H GLU 92 - HG3 GLU 89 far 0 72 0 - 5.9-7.0 H VAL 117 - HG3 GLU 103 far 0 34 0 - 9.5-13.6 H SER 99 - HG3 GLU 103 far 0 62 0 - 9.7-11.7 Violated in 1 structures by 0.01 A. Peak 7772 from cnoeabs.peaks (8.10, 2.27, 36.01 ppm; 3.86 A): 1 out of 7 assignments used, quality = 0.77: H GLU 92 + HG3 GLU 92 OK 77 77 100 100 2.2-3.1 7771/1.8=79, 1608=70...(21) ! H PHE 93 - HG3 GLU 92 far 5 100 5 - 1.6-4.7 H ALA 113 - HG3 GLU 111 far 0 74 0 - 5.0-7.4 H GLU 92 - HG2 GLU 89 far 0 76 0 - 5.9-7.5 H PHE 93 - HG2 GLU 89 far 0 100 0 - 6.5-8.0 H VAL 117 - HG3 GLU 111 far 0 62 0 - 9.4-12.0 H VAL 117 - HG2 GLU 103 far 0 31 0 - 9.4-13.5 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 1 assignment used, quality = 1.00: * H LYS 94 + HA PHE 93 OK 100 100 100 100 3.5-3.5 3.6=100 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 1 assignment used, quality = 1.00: * H LYS 94 + HB2 PHE 93 OK 100 100 100 100 3.8-4.0 4.3=100 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 2 assignments used, quality = 1.00: * H LYS 94 + HB3 PHE 93 OK 100 100 100 100 2.7-2.9 4.3=100 H LYS 49 - HB2 PHE 51 far 0 87 0 - 6.8-10.1 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 2.0-3.8 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 2.3-3.9 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 2.4-5.5 595/3.6=98, 596/3.6=95...(8) H ARG 95 + HD3 LYS 94 OK 100 100 100 100 2.8-5.0 595/3.6=98, 596/3.6=95...(8) 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 2.4-5.5 595/3.6=98, 596/3.6=95...(8) * H ARG 95 + HD3 LYS 94 OK 100 100 100 100 2.8-5.0 595/3.6=98, 596/3.6=95...(8) 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 3.5-3.6 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 2.5-4.1 4.6=89, 7790/1.8=82...(9) 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 3.7-4.0 4.6=78, 7789/1.8=72...(8) Violated in 0 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 2.5-4.2 607=100, 1938/1631=91...(10) 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 2.1-4.9 607/1.8=92, 1938/1632=81...(9) Violated in 3 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 4.5-6.3 607/2.9=98, 7792/2.9=93...(6) H LYS 96 + HD2 ARG 95 OK 100 100 100 100 4.3-6.2 607/2.9=98, 7792/2.9=93...(6) Violated in 0 structures by 0.00 A. Peak 7795 from cnoeabs.peaks (7.83, 4.07, 58.93 ppm; 3.71 A increased from 3.49 A): 1 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=100 H LYS 39 - HA GLU 37 far 0 57 0 - 4.3-4.8 H ILE 97 - HA GLU 91 far 0 70 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 7796 from cnoeabs.peaks (7.83, 1.90, 32.07 ppm; 3.59 A increased from 3.38 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 97 + HB2 LYS 96 OK 100 100 100 100 3.0-3.5 613=92, 7797/1.8=83...(9) H LYS 39 - HB2 LYS 43 far 0 90 0 - 6.7-7.5 H LYS 39 - HB3 LYS 43 far 0 96 0 - 8.3-9.0 H LYS 39 - HB2 LYS 44 far 0 82 0 - 9.2-10.0 H TYR 27 - HB3 LYS 20 far 0 53 0 - 9.4-10.8 H VAL 78 - HB3 LYS 123 far 0 43 0 - 9.6-10.5 H TYR 27 - HB2 LYS 20 far 0 53 0 - 9.8-11.2 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 = 0.99: * H ILE 97 + HB3 LYS 96 OK 99 100 100 99 2.5-2.8 614=91, 7796/1.8=58...(7) Violated in 0 structures by 0.00 A. Peak 7798 from cnoeabs.peaks (7.83, 1.44, 24.91 ppm; 5.29 A increased from 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HG2 LYS 96 OK 100 100 100 100 4.9-5.0 5.0=100 H LYS 39 - HG3 LYS 44 far 0 100 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 7799 from cnoeabs.peaks (7.83, 1.57, 24.91 ppm; 5.24 A increased from 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 97 + HG3 LYS 96 OK 100 100 100 100 4.8-5.0 5.0=100 H LYS 39 - HG2 LYS 44 far 0 73 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 7800 from cnoeabs.peaks (7.83, 1.68, 28.89 ppm; 4.79 A increased from 4.26 A): 2 out of 8 assignments used, quality = 1.00: * H ILE 97 + HD2 LYS 96 OK 100 100 100 100 3.9-4.6 7797/3.4=85, 3.6/6077=81...(6) H ILE 97 + HD3 LYS 96 OK 40 100 40 99 4.3-6.0 7797/3.4=85, 7796/3.4=79...(5) H VAL 78 - HG12 ILE 71 far 0 50 0 - 7.0-7.9 H LYS 39 - HD2 LYS 43 far 0 96 0 - 7.1-9.3 H LYS 39 - HD3 LYS 43 far 0 95 0 - 7.6-9.3 H TYR 27 - HD3 LYS 20 far 0 67 0 - 9.2-12.2 H TYR 27 - HD2 LYS 20 far 0 64 0 - 9.3-10.5 H LYS 39 - HG12 ILE 71 far 0 49 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7801 from cnoeabs.peaks (7.83, 1.68, 28.89 ppm; 4.79 A increased from 4.26 A): 2 out of 8 assignments used, quality = 1.00: H ILE 97 + HD2 LYS 96 OK 100 100 100 100 3.9-4.6 7797/3.4=85, 3.6/6078=81...(6) * H ILE 97 + HD3 LYS 96 OK 40 100 40 99 4.3-6.0 7797/3.4=85, 7796/3.4=79...(5) H VAL 78 - HG12 ILE 71 far 0 58 0 - 7.0-7.9 H LYS 39 - HD2 LYS 43 far 0 93 0 - 7.1-9.3 H LYS 39 - HD3 LYS 43 far 0 96 0 - 7.6-9.3 H TYR 27 - HD3 LYS 20 far 0 71 0 - 9.2-12.2 H TYR 27 - HD2 LYS 20 far 0 69 0 - 9.3-10.5 H LYS 39 - HG12 ILE 71 far 0 58 0 - 9.8-10.9 Violated in 0 structures by 0.00 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 3.4-3.5 3.6=100 H VAL 104 - HA ILE 97 far 0 61 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 7805 from cnoeabs.peaks (8.67, 1.81, 37.21 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HB ILE 97 OK 100 100 100 100 3.0-3.2 4.4=100 H VAL 104 - HB ILE 97 far 0 61 0 - 6.0-6.8 Violated in 0 structures by 0.00 A. Peak 7806 from cnoeabs.peaks (8.67, 0.68, 18.75 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + QG2 ILE 97 OK 100 100 100 100 3.5-3.9 4.1=100 H VAL 104 - QG2 ILE 97 far 0 61 0 - 4.7-5.5 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 4.3-5.4 625=100, 623/2.9=99...(8) H VAL 104 - HG12 ILE 97 far 0 61 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 7809 from cnoeabs.peaks (8.67, 0.36, 11.90 ppm; 5.33 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + QD1 ILE 97 OK 100 100 100 100 4.7-4.9 623/3.2=87, 3.6/6197=83...(10) H VAL 104 - QD1 ILE 97 far 0 61 0 - 6.7-7.3 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 1 assignment used, quality = 1.00: * H SER 99 + HA GLU 98 OK 100 100 100 100 3.4-3.5 3.6=100 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 3.6-3.9 4.3=100 H PHE 93 - HB2 GLU 98 far 0 99 0 - 8.1-8.5 H GLU 92 - HB2 GLU 98 far 0 90 0 - 8.7-9.2 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 = 0.93: * H SER 99 + HB3 GLU 98 OK 93 100 100 93 2.6-3.2 631=51, 630/1.8=50...(6) H SER 99 - HB3 GLN 100 far 0 72 0 - 4.5-5.9 H PHE 93 - HB3 GLU 89 far 0 49 0 - 5.1-6.8 H PHE 93 - HB2 GLU 89 far 0 49 0 - 5.3-6.2 H GLU 92 - HB3 GLU 89 far 0 40 0 - 5.3-6.2 H GLU 92 - HB2 GLU 89 far 0 40 0 - 5.6-6.1 H GLU 92 - HB3 GLU 87 far 0 47 0 - 6.8-7.1 H PHE 93 - HB3 GLU 87 far 0 57 0 - 8.7-9.1 H PHE 93 - HB3 GLU 98 far 0 99 0 - 9.2-9.6 H GLU 92 - HB3 GLU 98 far 0 90 0 - 9.7-10.2 Violated in 0 structures by 0.00 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 4.7-5.1 4.9=100 H GLU 92 - HG2 GLU 98 far 0 90 0 - 9.8-11.6 H PHE 93 - HG2 GLU 98 far 0 99 0 - 9.9-11.2 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 4.8-5.5 4.9=100 H PHE 93 - HG3 GLU 98 far 0 99 0 - 9.6-10.7 H GLU 92 - HG3 GLU 98 far 0 90 0 - 9.7-11.1 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 2 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 - 9.3-9.8 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 2.9-4.1 4.5=100 * H GLN 100 + HB2 SER 99 OK 100 100 100 100 3.0-4.3 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 2.9-4.1 4.5=100 H GLN 100 + HB2 SER 99 OK 100 100 100 100 3.0-4.3 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 1 assignment used, quality = 1.00: * H GLY 101 + HB2 GLN 100 OK 100 100 100 100 2.2-3.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 7820 from cnoeabs.peaks (7.95, 2.05, 29.21 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.95: * H GLY 101 + HB3 GLN 100 OK 95 100 100 95 2.0-3.3 4.4=75, 638/1665=57...(4) H GLU 91 - HB2 GLU 92 far 0 55 0 - 4.5-4.9 H GLU 91 - HB2 GLU 89 far 0 87 0 - 5.0-6.2 H GLU 91 - HB3 GLU 89 far 0 87 0 - 5.6-6.3 H GLY 101 - HB3 GLU 98 far 0 72 0 - 5.9-6.5 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 2.6-3.4 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 3.1-3.6 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 2.2-2.4 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 3.4-4.1 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 2.4-3.3 652=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=27...(8) H GLU 98 - HA GLU 103 far 0 61 0 - 7.3-8.2 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 4.4-4.6 4.7=100 H GLU 98 - HB2 GLU 103 far 0 61 0 - 9.9-10.6 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 3.3-4.3 4.7=100 H GLU 98 - HB3 GLU 103 far 0 61 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 7834 from cnoeabs.peaks (8.65, 2.26, 36.25 ppm; 5.27 A increased from 4.68 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 104 + HG2 GLU 103 OK 100 100 100 100 3.5-5.0 661=100, 7835/1.8=98...(5) H GLU 87 - HG2 GLU 89 poor 11 55 20 - 4.9-7.4 H GLU 87 - HG3 GLU 92 far 0 49 0 - 8.7-9.5 H GLU 98 - HG3 GLU 92 far 0 28 0 - 9.3-11.1 H GLU 98 - HG2 GLU 103 far 0 61 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 7835 from cnoeabs.peaks (8.65, 2.32, 36.25 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.85: * H VAL 104 + HG3 GLU 103 OK 85 100 85 99 3.4-4.5 662=90, 658/4.0=67...(5) H GLU 87 - HG3 GLU 89 far 0 40 0 - 5.0-6.7 H GLU 98 - HG3 GLU 103 far 0 61 0 - 9.2-10.4 H GLU 87 - HG2 GLU 92 far 0 55 0 - 9.7-11.1 H GLU 98 - HG2 GLU 92 far 0 32 0 - 9.9-11.5 Violated in 4 structures by 0.04 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 2.1-2.2 664=100, 666/3.2=52...(7) 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 4.0-4.4 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 2.2-2.3 669=100, 670/3.0=41...(8) H PHE 120 - HA ARG 105 far 0 61 0 - 9.7-10.5 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 2.8-3.9 4.2=100 H PHE 120 - HB2 ARG 105 far 0 61 0 - 7.6-8.6 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 3.9-4.3 4.2=100 H PHE 120 - HB3 ARG 105 far 0 61 0 - 7.3-7.9 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 2.0-4.3 673=100, 670/3.0=99...(8) H PHE 120 - HG3 ARG 105 far 0 61 0 - 7.8-9.2 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 3.4-4.8 7846/1.8=80, 669/6430=75...(7) H PHE 120 - HD2 ARG 105 far 0 61 0 - 7.4-8.9 Violated in 1 structures by 0.00 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 1.9-4.1 675=97, 669/6438=81...(7) H PHE 120 - HD3 ARG 105 far 0 61 0 - 8.0-9.9 Violated in 0 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 2.2-2.3 677=100, 678/3.0=56...(11) 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 3.9-4.3 4.6=100 H VAL 107 + HB3 LYS 106 OK 100 100 100 100 2.8-3.3 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 2.8-3.3 4.6=100 H VAL 107 + HB2 LYS 106 OK 99 100 100 100 3.9-4.3 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 3.6-4.3 680=100, 678/2.9=99...(7) 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 4.7-5.1 678/2.9=100, 680/1.8=100...(7) 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 2.2-2.2 687=100, 7858/3.2=44...(6) H GLN 85 - HA VAL 107 far 0 84 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 7857 from cnoeabs.peaks (8.60, 2.12, 35.23 ppm; 4.39 A increased from 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H THR 108 + HB VAL 107 OK 100 100 100 100 3.9-4.2 688=100, 7858/2.1=91...(7) H GLN 85 - HB VAL 107 far 0 84 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 7858 from cnoeabs.peaks (8.60, 0.87, 20.76 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * H THR 108 + QG2 VAL 107 OK 100 100 100 100 2.0-2.4 689=99, 687/3.2=58...(8) H GLN 85 - QG2 VAL 107 far 0 84 0 - 7.3-8.1 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 4 assignments used, quality = 1.00: * H THR 108 + QG1 VAL 107 OK 100 100 100 100 3.8-4.0 690=100, 7858/2.1=83...(9) H GLN 85 - QG1 VAL 107 far 0 84 0 - 6.8-7.3 H LEU 80 - QG1 VAL 107 far 0 100 0 - 8.6-9.3 H LYS 94 - QG1 VAL 107 far 0 100 0 - 9.4-10.0 Violated in 0 structures by 0.00 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 3.4-3.5 3.6=100 H LEU 90 - HA THR 108 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 7861 from cnoeabs.peaks (8.04, 4.22, 69.97 ppm; 4.20 A increased from 3.95 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 109 + HB THR 108 OK 100 100 100 100 3.9-4.2 693=100, 694/2.1=69...(5) H LEU 90 - HB THR 108 far 0 90 0 - 9.4-10.5 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 3.8-4.1 4.4=100 H LEU 90 - QG2 THR 108 far 0 90 0 - 6.7-7.1 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 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 7864 from cnoeabs.peaks (8.70, 2.82, 43.69 ppm; 4.41 A increased from 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HB2 ASP 109 OK 100 100 100 100 3.7-4.2 4.4=100 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 2.9-3.5 698=100, 696/3.0=89...(11) 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 - 8.2-8.8 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 3.5-4.2 701=97, 702/1.8=81...(4) H ASP 84 - HB2 ASP 110 far 0 96 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7868 from cnoeabs.peaks (8.21, 2.68, 40.30 ppm; 4.21 A increased from 3.97 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 111 + HB3 ASP 110 OK 100 100 100 100 2.6-4.1 702=100, 7867/1.8=77...(4) H ASP 84 - HB3 ASP 110 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 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 3.4-3.5 3.6=100 H ILE 15 - HA GLU 111 far 0 99 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 7870 from cnoeabs.peaks (8.23, 2.10, 28.50 ppm; 4.04 A increased from 3.59 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 112 + HB2 GLU 111 OK 99 100 100 99 2.7-4.0 7871/1.8=81, 4.6=66...(8) Violated in 1 structures by 0.00 A. Peak 7871 from cnoeabs.peaks (8.23, 2.02, 28.50 ppm; 3.82 A increased from 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 112 + HB3 GLU 111 OK 100 100 100 100 3.3-3.8 706=97, 7870/1.8=69...(6) Violated in 3 structures by 0.00 A. Peak 7872 from cnoeabs.peaks (8.23, 2.29, 36.01 ppm; 4.86 A increased from 3.89 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 112 + HG2 GLU 111 OK 100 100 100 100 2.1-4.9 7871/3.0=83, 7870/3.0=80...(7) H GLU 89 - HG3 GLU 87 far 0 70 0 - 6.3-6.5 H GLU 89 - HG2 GLU 87 far 0 70 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 7873 from cnoeabs.peaks (8.23, 2.27, 36.01 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.82: H GLU 89 + HG2 GLU 89 OK 74 76 100 98 2.2-3.5 1588=65, 5769/1.8=55...(11) * H GLU 112 + HG3 GLU 111 OK 29 100 30 95 2.4-5.4 7871/3.0=58, 7870/3.0=54...(7) H GLU 89 - HG3 GLU 92 far 0 80 0 - 5.0-5.9 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 3.5-3.6 3.6=100 H VAL 117 - HA GLU 112 far 0 100 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 7875 from cnoeabs.peaks (8.12, 2.08, 29.19 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: H ALA 113 + HB3 GLU 112 OK 100 100 100 100 2.4-2.8 711=100, 709/4.0=41...(12) ! H ALA 113 - HB2 GLU 112 far 10 100 10 - 3.1-3.9 H VAL 117 - HB2 GLU 112 far 0 100 0 - 6.4-8.7 H VAL 117 - HB3 GLU 112 far 0 100 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 7876 from cnoeabs.peaks (8.12, 2.08, 29.19 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 113 + HB3 GLU 112 OK 100 100 100 100 2.4-2.8 712=100, 709/4.0=41...(12) H ALA 113 - HB2 GLU 112 far 10 100 10 - 3.1-3.9 H PHE 93 - HB3 GLU 91 far 0 26 0 - 5.5-6.0 H VAL 117 - HB2 GLU 112 far 0 100 0 - 6.4-8.7 H VAL 117 - HB3 GLU 112 far 0 100 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 7877 from cnoeabs.peaks (8.12, 2.34, 36.01 ppm; 4.61 A increased from 3.88 A): 2 out of 5 assignments used, quality = 0.97: * H ALA 113 + HG2 GLU 112 OK 90 100 90 100 3.6-5.0 711/3.0=90, 709/4.9=58...(14) H ALA 113 + HG3 GLU 112 OK 75 100 75 100 3.6-5.0 712/3.0=90, 3.6/6640=62...(15) H VAL 117 - HG3 GLU 112 far 0 100 0 - 5.9-9.3 H VAL 117 - HG2 GLU 112 far 0 100 0 - 6.0-9.1 H VAL 117 - HG3 GLU 103 far 0 38 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 7878 from cnoeabs.peaks (8.12, 2.34, 36.01 ppm; 4.61 A increased from 3.88 A): 2 out of 4 assignments used, quality = 0.97: H ALA 113 + HG2 GLU 112 OK 90 100 90 100 3.6-5.0 711/3.0=90, 709/4.9=58...(14) * H ALA 113 + HG3 GLU 112 OK 75 100 75 100 3.6-5.0 712/3.0=90, 3.6/6646=62...(15) H VAL 117 - HG3 GLU 112 far 0 100 0 - 5.9-9.3 H VAL 117 - HG2 GLU 112 far 0 100 0 - 6.0-9.1 Violated in 0 structures by 0.00 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 3.5-3.5 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 2.7-2.9 717=100, 715/1741=60...(10) 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 2 assignments used, quality = 1.00: * H LYS 115 + HA LEU 114 OK 100 100 100 100 3.4-3.6 3.6=100 H LYS 16 - HA LEU 114 far 0 84 0 - 9.6-10.3 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 5 assignments used, quality = 1.00: * H LYS 115 + HB2 LEU 114 OK 100 100 100 100 2.4-3.2 720=100, 718/1744=66...(5) H GLU 69 + HB2 LEU 68 OK 59 60 100 98 2.2-2.5 423=73, 424/1.8=66...(6) H LEU 64 - HB2 LEU 68 far 0 62 0 - 7.2-7.8 H GLN 100 - HB2 LEU 68 far 0 67 0 - 7.8-8.5 H LEU 74 - HB2 LEU 68 far 0 64 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 7883 from cnoeabs.peaks (7.62, 1.40, 40.94 ppm; 4.40 A increased from 3.91 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 115 + HB3 LEU 114 OK 100 100 100 100 3.7-4.3 4.3=100 H LYS 16 - HB3 LEU 114 far 0 84 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 7884 from cnoeabs.peaks (7.62, 1.65, 26.77 ppm; 4.08 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 115 + HG LEU 114 OK 100 100 100 100 3.8-4.0 722=100, 718/1746=71...(7) H LEU 64 - HG LEU 64 far 0 77 0 - 4.4-4.5 H GLU 69 - HG LEU 64 far 0 75 0 - 6.4-6.9 HE ARG 105 - HG LEU 90 far 0 41 0 - 7.9-12.3 H LYS 16 - HG LEU 114 far 0 84 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7885 from cnoeabs.peaks (7.62, 0.81, 24.73 ppm; 4.46 A increased from 4.20 A): 1 out of 5 assignments used, quality = 0.56: H LEU 64 + QD1 LEU 64 OK 56 56 100 100 4.3-4.4 4.7=87, 1421/2.1=78...(8) ! H LYS 115 - QD1 LEU 114 far 15 100 15 - 4.3-4.8 H GLU 69 - QD1 LEU 64 far 0 54 0 - 7.3-7.7 H LYS 16 - QD1 LEU 114 far 0 84 0 - 7.4-8.0 H GLN 100 - QD1 LEU 64 far 0 61 0 - 9.2-9.8 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 2 assignments used, quality = 1.00: * H LYS 115 + QD2 LEU 114 OK 100 100 100 100 4.3-4.6 722/2.1=84, 4.9=81...(9) H LYS 16 - QD2 LEU 114 far 0 84 0 - 6.1-6.5 Violated in 3 structures by 0.00 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; 4.03 A increased from 3.58 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 116 + HB2 LYS 115 OK 100 100 100 100 2.4-4.0 4.4=74, 729/3.0=62...(12) H ILE 116 + HB3 LYS 115 OK 95 96 100 99 2.5-4.1 4.4=74, 729/3.0=62...(11) H SER 72 - HB3 LYS 65 far 0 53 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 7889 from cnoeabs.peaks (8.00, 1.93, 32.18 ppm; 4.01 A increased from 3.56 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 116 + HB3 LYS 115 OK 99 100 100 99 2.5-4.1 4.4=73, 729/3.0=61...(11) H ILE 116 + HB2 LYS 115 OK 95 96 100 99 2.4-4.0 4.4=73, 729/3.0=61...(11) H SER 72 - HB3 LYS 65 far 0 58 0 - 9.5-11.2 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 2.9-3.9 729=100, 3.6/6703=76...(11) H SER 72 - HG2 LYS 65 far 0 38 0 - 9.0-11.9 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 2.3-4.6 730=100, 729/1.8=100...(9) Violated in 0 structures by 0.00 A. Peak 7892 from cnoeabs.peaks (8.00, 1.66, 29.55 ppm; 5.60 A increased from 4.98 A): 2 out of 2 assignments used, quality = 0.98: * H ILE 116 + HD2 LYS 115 OK 90 100 90 100 4.5-6.1 729/2.9=95, 730/2.9=79...(7) H ILE 116 + HD3 LYS 115 OK 84 99 85 100 4.7-6.0 729/2.9=95, 3.6/6705=87...(7) Violated in 0 structures by 0.00 A. Peak 7893 from cnoeabs.peaks (8.00, 1.66, 29.55 ppm; 5.60 A increased from 4.98 A): 2 out of 2 assignments used, quality = 0.98: H ILE 116 + HD2 LYS 115 OK 89 99 90 100 4.5-6.1 729/2.9=95, 730/2.9=79...(7) * H ILE 116 + HD3 LYS 115 OK 85 100 85 100 4.7-6.0 729/2.9=95, 3.6/6706=87...(7) 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 3.5-3.6 3.6=100 H ALA 113 - HA ILE 116 far 0 100 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 7897 from cnoeabs.peaks (8.12, 1.63, 36.32 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + HB ILE 116 OK 100 100 100 100 2.4-3.0 737=100, 738/2.1=81...(12) H ALA 113 - HB ILE 116 far 0 100 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 7898 from cnoeabs.peaks (8.12, 0.04, 18.11 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + QG2 ILE 116 OK 100 100 100 100 3.5-3.9 4.3=100 H ALA 113 - QG2 ILE 116 far 0 100 0 - 6.2-6.7 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 3.9-5.2 737/6812=100...(10) H ALA 113 + HG12 ILE 116 OK 100 100 100 100 4.0-5.6 ~10475=69, ~8252=66...(15) Violated in 0 structures by 0.00 A. Peak 7901 from cnoeabs.peaks (8.12, 0.68, 13.41 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + QD1 ILE 116 OK 100 100 100 100 4.3-4.7 737/3.2=91, 735/1765=88...(9) H ALA 113 - QD1 ILE 116 far 10 100 10 - 4.9-5.9 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 3.5-3.6 3.6=100 H VAL 22 - HA VAL 117 far 0 90 0 - 8.5-9.2 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 2.4-3.0 744=100, 1960/1768=77...(8) H VAL 22 - HB VAL 117 far 0 90 0 - 6.1-6.7 H GLY 26 - HB2 GLN 28 far 0 25 0 - 8.5-9.3 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 3.7-3.9 745=100, 744/2.1=91...(9) H VAL 22 - QG2 VAL 117 far 0 90 0 - 6.0-6.4 H THR 9 - QG2 VAL 117 far 0 65 0 - 7.7-8.1 H ASP 109 - QG2 VAL 117 far 0 92 0 - 9.1-9.6 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 3.3-3.8 746=100, 744/2.1=83...(9) H VAL 22 - QG1 VAL 117 far 0 90 0 - 4.6-5.2 H GLY 26 - QG1 VAL 117 far 0 98 0 - 8.0-8.7 H THR 9 - QG1 VAL 117 far 0 65 0 - 9.1-9.9 Violated in 0 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 3.4-3.6 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 3.3-4.3 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 2.5-3.9 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 3.6-3.6 3.6=100 H PHE 120 - HA LYS 123 far 0 60 0 - 7.3-7.6 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 2.3-3.8 1962/1781=72, 4.6=68...(7) H PHE 120 + HB3 GLU 119 OK 98 99 100 99 3.2-3.6 4.6=68, 1962/4.0=55...(7) H LYS 106 - HB2 GLU 91 far 0 50 0 - 9.9-10.8 H LYS 106 - HB2 GLU 119 far 0 61 0 - 9.9-11.2 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 99 100 100 99 3.2-3.6 4.6=68, 1962/4.0=55...(7) H PHE 120 + HB2 GLU 119 OK 98 99 100 99 2.3-3.8 1962/1782=72, 4.6=68...(7) H LYS 106 - HB2 GLU 91 far 0 41 0 - 9.9-10.8 H LYS 106 - HB2 GLU 119 far 0 60 0 - 9.9-11.2 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 2 assignments used, quality = 1.00: * H PHE 120 + HG2 GLU 119 OK 100 100 100 100 1.9-4.6 759=100, 1962/1783=98...(9) H LYS 106 - HG2 GLU 119 far 0 61 0 - 10.0-11.2 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 2.4-4.9 760=100, 759/1.8=100...(7) H LYS 106 - HG3 GLU 119 far 0 61 0 - 9.7-12.7 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 0 100 0 - 8.2-9.5 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 2.3-2.8 4.6=100 H GLU 103 - HB2 PHE 120 far 0 100 0 - 8.8-9.8 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 3.4-3.8 4.6=100 H GLU 103 - HB3 PHE 120 far 0 100 0 - 7.3-8.7 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 - 9.5-10.6 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 3.2-3.7 4.6=100 H VAL 22 - HB2 MET 121 far 0 70 0 - 8.0-9.3 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 2.5-3.0 4.6=100 H VAL 22 - HB3 MET 121 far 0 70 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 7927 from cnoeabs.peaks (8.05, 1.92, 31.22 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 122 + HG2 MET 121 OK 100 100 100 100 4.9-5.3 771/3.0=100, 772/3.0=98...(6) H VAL 22 - HG2 MET 121 far 0 70 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 7929 from cnoeabs.peaks (8.05, 1.83, 16.54 ppm; 4.75 A increased from 4.22 A): 2 out of 2 assignments used, quality = 0.98: * H GLN 122 + QE MET 121 OK 95 100 95 100 3.9-5.1 771/7022=73, 772/7023=69...(6) H VAL 22 + QE MET 121 OK 57 70 85 96 4.2-5.1 3.0/10586=81...(4) Violated in 0 structures by 0.00 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 3.5-3.6 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 = 0.99: * H LYS 123 + HB2 GLN 122 OK 99 100 100 99 2.2-3.8 778=82, 7933/7053=57...(10) H LYS 123 + HB3 GLN 122 OK 35 100 35 99 3.2-4.3 779/1.8=67, 4.7=59...(10) 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 = 0.99: H LYS 123 + HB2 GLN 122 OK 99 100 100 99 2.2-3.8 778=82, 7933/7053=57...(10) * H LYS 123 + HB3 GLN 122 OK 35 100 35 99 3.2-4.3 779/1.8=67, 4.7=59...(10) 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 = 0.79: * H LYS 123 + HG2 GLN 122 OK 79 100 80 99 2.3-4.4 780=63, 3.6/7031=61...(9) H MET 67 - HG3 GLN 62 far 0 72 0 - 6.1-6.9 H MET 67 - HG2 GLN 62 far 0 69 0 - 6.8-8.4 H ASP 36 - HG3 GLN 62 far 0 60 0 - 7.9-9.4 H ASP 36 - HG2 GLN 62 far 0 57 0 - 8.3-10.6 Violated in 4 structures by 0.05 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 3.7-5.0 7933/1.8=98, 781=85...(10) H LYS 123 - HG3 GLN 25 far 0 92 0 - 7.5-10.6 Violated in 0 structures by 0.00 A. Peak 7935 from cnoeabs.peaks (8.60, 4.03, 59.24 ppm; 5.89 A): 3 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 4.3-4.6 1936/3.6=96, 593/2159=81...(4) H ASP 12 + HA GLU 13 OK 48 50 100 96 5.2-5.3 58/3.0=76, 1975/3.6=58...(4) H ILE 71 - HA GLU 66 far 0 94 0 - 6.4-6.9 H ALA 124 - HA GLU 119 far 0 60 0 - 6.4-7.3 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 6 assignments used, quality = 1.00: * H ALA 124 + HB2 LYS 123 OK 100 100 100 100 2.6-3.5 4.4=100 H THR 108 - HB3 LYS 115 far 0 94 0 - 8.3-10.8 H THR 108 - HB2 LYS 115 far 0 87 0 - 8.5-10.5 H ILE 71 - HB3 LYS 65 far 0 99 0 - 8.9-10.1 H ILE 71 - HB2 LYS 65 far 0 99 0 - 9.1-9.5 H LEU 80 - HB2 LYS 123 far 0 100 0 - 9.6-10.7 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 2.5-3.4 787=100, 786/1.8=91...(10) H LYS 49 + HB2 LYS 49 OK 44 44 100 100 2.3-3.8 4.0=100 H LYS 49 - HB3 LYS 44 far 0 58 0 - 4.7-9.2 H LYS 94 - HB2 LYS 96 far 0 41 0 - 4.8-6.5 H LYS 49 - HB2 LYS 44 far 0 68 0 - 5.9-10.3 H THR 108 - HB2 LYS 115 far 0 54 0 - 8.5-10.5 H LEU 80 - HB3 LYS 123 far 0 100 0 - 9.1-10.7 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 - 9.9-11.4 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 2.7-3.0 3.6=100 H LYS 53 - QB ALA 124 far 0 84 0 - 6.8-7.9 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 2.8-3.1 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 2.8-3.1 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 3.4-3.5 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): 1 out of 2 assignments used, quality = 0.91: * H LEU 127 + HB2 SER 126 OK 91 100 95 96 2.8-3.6 802=82, 800/1826=56...(7) H LEU 127 - HB3 SER 126 far 0 93 0 - 3.7-4.1 Violated in 1 structures by 0.01 A. Peak 7950 from cnoeabs.peaks (7.88, 4.03, 63.46 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.85: H LEU 127 + HB2 SER 126 OK 85 93 95 96 2.8-3.6 803=82, 800/1827=55...(7) ! H LEU 127 - HB3 SER 126 far 0 100 0 - 3.7-4.1 Violated in 1 structures by 0.01 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 3.4-3.6 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 2.1-3.0 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 3.5-4.2 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 3.7-4.0 808=100, 806/3.0=100...(7) 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 4.3-4.7 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 4.0-4.7 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 3.3-3.5 1979=100, 1097/7965=80...(8) Violated in 0 structures by 0.00 A. Peak 7965 from cnoeabs.peaks (1.92, 4.27, 57.61 ppm; 3.25 A increased from 3.06 A): 1 out of 2 assignments used, quality = 0.88: * HB ILE 15 + HA ASP 12 OK 88 100 90 98 3.0-3.5 7966=56, 3.2/9154=45...(12) HB3 LYS 17 - HA ASP 12 far 0 97 0 - 7.5-8.1 Violated in 3 structures by 0.03 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 3.0-3.5 7965=100, 9154/3.2=64...(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 4.3-4.7 77/7965=92, 1864/1979=73...(6) Violated in 1 structures by 0.00 A. Peak 7970 from cnoeabs.peaks (1.88, 4.03, 59.01 ppm; 3.82 A increased from 3.21 A): 1 out of 10 assignments used, quality = 0.51: HG2 ARG 95 + HA GLU 92 OK 51 63 100 81 2.3-3.8 1631/2159=44...(6) HB2 ARG 95 - HA GLU 92 poor 20 38 70 75 3.4-4.9 8201=38, 3.9/2159=37...(5) HB3 LYS 16 - HA GLU 13 far 0 100 0 - 4.3-5.2 ! HB2 LYS 16 - HA GLU 13 far 0 100 0 - 4.4-5.2 QE MET 67 - HA GLU 66 far 0 96 0 - 6.5-6.8 QE MET 42 - HA GLU 66 far 0 74 0 - 6.6-7.4 HB ILE 71 - HA GLU 66 far 0 67 0 - 8.2-8.6 HB2 LEU 63 - HA GLU 66 far 0 88 0 - 8.2-8.6 HB2 LYS 73 - HA GLU 66 far 0 70 0 - 9.6-10.4 HB2 LYS 20 - HA GLU 13 far 0 92 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 7971 from cnoeabs.peaks (4.03, 1.88, 32.16 ppm; 2.91 A): 0 out of 4 assignments used, quality = 0.00: HA GLU 13 - HB3 LYS 16 far 0 100 0 - 4.3-5.2 ! HA GLU 13 - HB2 LYS 16 far 0 100 0 - 4.4-5.2 HA3 GLY 75 - HB3 LYS 73 far 0 44 0 - 7.2-7.7 HA GLU 13 - HB2 LYS 20 far 0 65 0 - 9.6-10.5 Violated in 20 structures by 1.33 A. Peak 7972 from cnoeabs.peaks (1.88, 4.03, 59.01 ppm; 3.82 A increased from 3.21 A): 2 out of 10 assignments used, quality = 0.61: HG2 ARG 95 + HA GLU 92 OK 50 62 100 81 2.3-3.8 1631/2159=43...(6) HB2 ARG 95 + HA GLU 92 OK 21 40 70 77 3.4-4.9 8201=41, 3.9/2159=37...(5) ! HB3 LYS 16 - HA GLU 13 far 0 100 0 - 4.3-5.2 HB2 LYS 16 - HA GLU 13 far 0 100 0 - 4.4-5.2 QE MET 67 - HA GLU 66 far 0 96 0 - 6.5-6.8 QE MET 42 - HA GLU 66 far 0 70 0 - 6.6-7.4 HB ILE 71 - HA GLU 66 far 0 70 0 - 8.2-8.6 HB2 LEU 63 - HA GLU 66 far 0 85 0 - 8.2-8.6 HB2 LYS 73 - HA GLU 66 far 0 74 0 - 9.6-10.4 HB2 LYS 20 - HA GLU 13 far 0 94 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 7973 from cnoeabs.peaks (4.03, 1.88, 32.16 ppm; 2.91 A): 0 out of 6 assignments used, quality = 0.00: ! HA GLU 13 - HB3 LYS 16 far 0 100 0 - 4.3-5.2 HA GLU 13 - HB2 LYS 16 far 0 100 0 - 4.4-5.2 HA3 GLY 75 - HB2 LYS 73 far 0 44 0 - 6.9-8.3 HA3 GLY 75 - HB3 LYS 73 far 0 48 0 - 7.2-7.7 HA GLU 66 - HB2 LYS 73 far 0 63 0 - 9.6-10.4 HA GLU 13 - HB2 LYS 20 far 0 69 0 - 9.6-10.5 Violated in 20 structures by 1.30 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 LEU 14 + HA LEU 14 OK 98 98 100 100 2.8-2.9 3.0=100 * H LYS 17 + HA LEU 14 OK 80 100 85 95 3.5-3.9 1115/7979=46...(10) 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 3.6-4.3 1.8/7979=79...(12) Violated in 0 structures by 0.00 A. Peak 7978 from cnoeabs.peaks (3.98, 1.99, 33.06 ppm; 3.86 A): 2 out of 4 assignments used, quality = 0.98: HA LYS 17 + HB2 LYS 17 OK 97 97 100 100 2.5-2.6 3.0=100 * HA LEU 14 + HB2 LYS 17 OK 30 100 30 100 3.6-4.3 7977=73, 7979/1.8=65...(12) HA GLU 111 - HB2 LYS 17 far 0 100 0 - 5.6-6.5 HA GLU 112 - HB2 LYS 17 far 0 87 0 - 9.6-10.3 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 2 assignments used, quality = 1.00: * HB3 LYS 17 + HA LEU 14 OK 100 100 100 100 2.2-2.7 1.8/7977=75...(12) HB ILE 15 - HA LEU 14 far 0 97 0 - 5.8-6.0 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 3 assignments used, quality = 1.00: * HA LEU 14 + HB3 LYS 17 OK 100 100 100 100 2.2-2.7 7979=74, 7977/1.8=62...(12) HA LYS 17 + HB3 LYS 17 OK 97 97 100 100 3.0-3.0 3.0=100 HA GLU 111 - HB3 LYS 17 far 0 100 0 - 6.3-7.2 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 3.3-3.8 9185/2641=84, 95/7979=81...(9) 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 2 assignments used, quality = 1.00: * H ILE 18 + HA ILE 15 OK 100 100 100 100 3.7-4.3 1993=100, 1124/7984=76...(7) H ASN 59 - HA ILE 15 far 0 94 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 7984 from cnoeabs.peaks (1.82, 3.22, 66.59 ppm; 3.75 A): 1 out of 5 assignments used, quality = 0.95: * HB ILE 18 + HA ILE 15 OK 95 100 100 95 3.1-3.6 7985=74, 1124/1993=46...(6) HB2 LEU 14 - HA ILE 15 far 0 100 0 - 4.0-4.2 HB3 LYS 19 - HA ILE 15 far 0 84 0 - 5.0-5.5 HB ILE 57 - HA ILE 15 far 0 100 0 - 5.2-5.8 QE MET 121 - HA ILE 15 far 0 94 0 - 9.6-11.0 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 1 assignment used, quality = 1.00: * HA ILE 15 + HB ILE 18 OK 100 100 100 100 3.1-3.6 7984=100, 1993/1124=56...(6) 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 3.9-4.3 1999=90, 102/1993=81...(6) H ILE 57 - HA ILE 15 far 0 94 0 - 7.7-8.2 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 3.3-3.8 1998=100, 4.0/7991=72...(8) Violated in 0 structures by 0.00 A. Peak 7989 from cnoeabs.peaks (1.79, 3.84, 60.17 ppm; 4.05 A increased from 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 19 + HA LYS 16 OK 100 100 100 100 3.6-4.0 1.8/7991=93, 7990=65...(7) Violated in 0 structures by 0.00 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 3.6-4.0 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 = 0.92: * HB3 LYS 19 + HA LYS 16 OK 92 100 100 92 2.2-2.6 7992=53, 1.8/7989=49...(7) HB ILE 18 - HA LYS 16 far 0 84 0 - 5.4-5.9 HB ILE 57 - HA LYS 16 far 0 90 0 - 7.6-8.5 HB2 LEU 14 - HA LYS 16 far 0 90 0 - 7.7-8.0 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 2.2-2.6 7991=100, 7989/1.8=75...(7) HA2 GLY 75 - HB2 LYS 77 far 0 75 0 - 6.9-8.4 HA2 GLY 75 - HB3 LYS 77 far 0 81 0 - 7.7-8.4 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 4.6-5.0 2004=100, 112/7991=100...(5) 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 3.6-4.0 2003=100, 1144/11543=60...(6) Violated in 0 structures by 0.00 A. Peak 7996 from cnoeabs.peaks (1.89, 3.99, 59.84 ppm; 3.12 A): 0 out of 4 assignments used, quality = 0.00: ! HB2 LYS 20 - HA LYS 17 far 0 100 0 - 3.9-4.5 HB2 LYS 16 - HA LYS 17 far 0 92 0 - 4.0-5.6 HB3 LYS 16 - HA LYS 17 far 0 94 0 - 4.6-5.6 HB3 LYS 20 - HA LYS 17 far 0 100 0 - 5.1-5.8 Violated in 20 structures by 0.48 A. Peak 7997 from cnoeabs.peaks (3.99, 1.89, 31.98 ppm; 3.21 A): 0 out of 11 assignments used, quality = 0.00: ! HA LYS 17 - HB2 LYS 20 far 0 100 0 - 3.9-4.5 HA LYS 17 - HB2 LYS 16 far 0 65 0 - 4.0-5.6 HA LYS 17 - HB3 LYS 16 far 0 69 0 - 4.6-5.6 HA LYS 17 - HB3 LYS 20 far 0 100 0 - 5.1-5.8 HB3 SER 99 - HB2 LYS 96 far 0 72 0 - 5.6-8.4 HB2 SER 99 - HB2 LYS 96 far 0 72 0 - 5.9-8.3 HA LEU 14 - HB2 LYS 16 far 0 60 0 - 6.8-7.3 HA3 GLY 75 - HB2 LYS 73 far 0 42 0 - 6.9-8.3 HA LEU 14 - HB3 LYS 16 far 0 63 0 - 7.0-7.5 HA3 GLY 75 - HB3 LYS 73 far 0 43 0 - 7.2-7.7 HA LEU 14 - HB2 LYS 20 far 0 97 0 - 8.8-9.1 Violated in 20 structures by 0.32 A. Peak 7998 from cnoeabs.peaks (1.89, 3.99, 59.84 ppm; 3.12 A): 0 out of 4 assignments used, quality = 0.00: HB2 LYS 20 - HA LYS 17 far 0 100 0 - 3.9-4.5 HB2 LYS 16 - HA LYS 17 far 0 92 0 - 4.0-5.6 HB3 LYS 16 - HA LYS 17 far 0 94 0 - 4.6-5.6 ! HB3 LYS 20 - HA LYS 17 far 0 100 0 - 5.1-5.8 Violated in 20 structures by 0.48 A. Peak 7999 from cnoeabs.peaks (3.99, 1.89, 31.98 ppm; 3.21 A): 0 out of 11 assignments used, quality = 0.00: HA LYS 17 - HB2 LYS 20 far 0 100 0 - 3.9-4.5 HA LYS 17 - HB2 LYS 16 far 0 65 0 - 4.0-5.6 HA LYS 17 - HB3 LYS 16 far 0 69 0 - 4.6-5.6 ! HA LYS 17 - HB3 LYS 20 far 0 100 0 - 5.1-5.8 HB3 SER 99 - HB2 LYS 96 far 0 72 0 - 5.6-8.4 HB2 SER 99 - HB2 LYS 96 far 0 72 0 - 5.9-8.3 HA LEU 14 - HB2 LYS 16 far 0 60 0 - 6.8-7.3 HA3 GLY 75 - HB2 LYS 73 far 0 42 0 - 6.9-8.3 HA LEU 14 - HB3 LYS 16 far 0 63 0 - 7.0-7.5 HA3 GLY 75 - HB3 LYS 73 far 0 43 0 - 7.2-7.7 HA LEU 14 - HB2 LYS 20 far 0 97 0 - 8.8-9.1 Violated in 20 structures by 0.32 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 3.9-4.1 2001=100, 109/3.6=98...(6) 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 3.1-3.6 2008=100, 1152/8005=66...(9) HE ARG 118 - HA ILE 18 far 0 100 0 - 6.8-11.5 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 4 assignments used, quality = 1.00: * HB2 GLU 21 + HA ILE 18 OK 91 100 95 96 3.7-4.5 1.8/8005=73...(6) HG2 GLU 21 + HA ILE 18 OK 83 92 95 95 1.9-4.2 3.0/8005=58...(7) HG3 GLU 21 + HA ILE 18 OK 79 87 95 96 2.4-4.9 3.0/8005=58...(8) HB2 GLU 111 - HA ILE 18 far 0 70 0 - 9.9-11.3 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 3.7-4.5 8005/1.8=99...(7) 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 = 0.98: * HB3 GLU 21 + HA ILE 18 OK 98 100 100 98 2.1-4.1 8006=79, 1152/2008=48...(9) HB VAL 22 - HA ILE 18 far 0 90 0 - 6.3-6.9 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 2.1-4.1 8005=100, 2008/1152=56...(9) Violated in 0 structures by 0.00 A. Peak 8023 from cnoeabs.peaks (3.96, 2.97, 38.17 ppm; 5.05 A increased from 4.75 A): 1 out of 2 assignments used, quality = 0.95: * HA GLU 21 + HB2 ASN 24 OK 95 100 95 100 3.3-5.5 11324=100, 11539/3.5=45 HA GLU 21 - HB3 ASN 24 far 15 100 15 - 4.1-7.3 Violated in 2 structures by 0.02 A. Peak 8025 from cnoeabs.peaks (3.96, 2.97, 38.17 ppm; 5.05 A increased from 4.75 A): 1 out of 2 assignments used, quality = 0.95: HA GLU 21 + HB2 ASN 24 OK 95 100 95 100 3.3-5.5 11324=100, 11539/3.5=45 ! HA GLU 21 - HB3 ASN 24 far 15 100 15 - 4.1-7.3 Violated in 2 structures by 0.02 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 3.9-4.3 1881/3.6=100...(8) 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 3.1-3.3 1234/8029=68...(13) 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 = 1.00: * HB2 LEU 38 + HA SER 35 OK 100 100 100 100 2.3-2.6 1.8/8031=69, 8030=62...(11) HG2 GLU 41 - HA SER 35 far 0 61 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 8030 from cnoeabs.peaks (4.05, 2.11, 41.07 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 35 + HB2 LEU 38 OK 100 100 100 100 2.3-2.6 8029=100, 8031/1.8=88...(11) HA GLU 37 - HB2 LEU 38 far 0 84 0 - 5.5-5.6 Violated in 0 structures by 0.00 A. Peak 8031 from cnoeabs.peaks (1.46, 4.05, 61.45 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 38 + HA SER 35 OK 100 100 100 100 3.6-4.0 1.8/8029=81, 8032=73...(11) HG2 LYS 39 - HA SER 35 far 0 99 0 - 5.0-7.5 Violated in 0 structures by 0.00 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 3.6-4.0 8031=100, 8029/1.8=92...(11) HA GLU 37 - HB3 LEU 38 far 0 84 0 - 6.1-6.2 Violated in 0 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 3.9-4.4 213/8029=79...(15) HE21 GLN 62 - HA SER 35 far 0 65 0 - 7.0-9.0 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 4.3-4.8 1882/3.6=91, 2030/3.0=83...(4) 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 1 assignment used, quality = 1.00: * H LYS 39 + HA ASP 36 OK 100 100 100 100 3.7-4.0 2035=100, 3568/8037=83...(12) Violated in 0 structures by 0.00 A. Peak 8036 from cnoeabs.peaks (1.93, 4.52, 57.67 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.81: HB3 LYS 39 + HA ASP 36 OK 81 81 100 100 3.3-3.9 8037=100, 3568/2035=62...(9) ! HB2 LYS 39 - HA ASP 36 far 0 100 0 - 4.9-5.3 HB3 LYS 40 - HA ASP 36 far 0 90 0 - 5.1-6.9 HB3 MET 42 - HA ASP 36 far 0 73 0 - 7.9-8.8 HB2 GLU 41 - HA ASP 36 far 0 73 0 - 8.1-8.7 HB3 GLU 41 - HA ASP 36 far 0 77 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8037 from cnoeabs.peaks (4.52, 1.93, 32.05 ppm; 3.98 A increased from 3.54 A): 1 out of 3 assignments used, quality = 0.62: HA ASP 36 + HB3 LYS 39 OK 62 63 100 98 3.3-3.9 8036=76, 2035/3568=52...(9) ! HA ASP 36 - HB2 LYS 39 far 0 100 0 - 4.9-5.3 HA GLU 103 - HB2 LYS 123 far 0 53 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8038 from cnoeabs.peaks (1.95, 4.52, 57.67 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HA ASP 36 OK 100 100 100 100 3.3-3.9 8039=98, 1242/2035=51...(9) HB2 LYS 39 - HA ASP 36 far 0 81 0 - 4.9-5.3 HB3 LYS 40 - HA ASP 36 far 0 100 0 - 5.1-6.9 HB3 MET 42 - HA ASP 36 far 0 100 0 - 7.9-8.8 HB2 GLU 41 - HA ASP 36 far 0 100 0 - 8.1-8.7 HB3 GLU 41 - HA ASP 36 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8039 from cnoeabs.peaks (4.52, 1.95, 32.05 ppm; 4.02 A increased from 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 36 + HB3 LYS 39 OK 100 100 100 100 3.3-3.9 8038=100, 2035/1242=52...(9) HA ASP 36 - HB2 LYS 39 far 0 63 0 - 4.9-5.3 HA GLU 103 - HB2 LYS 123 far 0 27 0 - 9.9-10.9 Violated in 0 structures by 0.00 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 3.8-4.5 2041=100, 221/8038=90...(9) 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 3.2-3.6 2040=100, 1251/8044=64...(5) H LYS 96 + HA LYS 96 OK 52 52 100 100 2.7-2.8 2.9=100 H LYS 96 - HA GLU 91 far 0 55 0 - 5.5-6.4 H LYS 40 - HA LYS 44 far 0 59 0 - 8.7-9.5 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 = 0.96: * HB2 LYS 40 + HA GLU 37 OK 95 100 100 95 2.2-2.4 8044=75, 1.8/8046=48...(4) HB3 LYS 96 + HA LYS 96 OK 28 28 100 100 2.9-3.0 3.0=100 HB3 LYS 96 - HA GLU 91 far 0 30 0 - 7.0-8.4 HB2 LYS 40 - HA LYS 44 far 0 59 0 - 8.5-9.1 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 = 0.97: * HA GLU 37 + HB2 LYS 40 OK 97 100 100 97 2.2-2.4 8043=77, 8045/1.8=62...(4) HA SER 35 - HB2 LYS 40 far 0 84 0 - 7.4-7.8 HA LYS 44 - HB2 LYS 40 far 0 100 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 8045 from cnoeabs.peaks (1.95, 4.06, 59.21 ppm; 3.73 A increased from 2.99 A): 1 out of 19 assignments used, quality = 1.00: * HB3 LYS 40 + HA GLU 37 OK 100 100 100 100 3.7-3.8 8046=93, 1.8/8044=82...(4) HB2 GLU 41 - HA GLU 37 far 0 99 0 - 4.4-5.7 HB3 LYS 39 - HA GLU 37 far 0 100 0 - 5.4-6.3 HB2 LEU 70 - HA GLU 69 far 0 75 0 - 5.7-5.8 HB3 GLU 41 - HA GLU 37 far 0 99 0 - 6.1-6.9 HB3 LYS 65 - HA GLU 69 far 0 60 0 - 6.6-8.7 HB VAL 104 - HA GLU 91 far 0 60 0 - 6.8-7.7 HB2 LYS 39 - HA GLU 37 far 0 90 0 - 7.0-7.3 HB3 LYS 40 - HA LYS 44 far 0 59 0 - 7.2-8.5 HB3 GLU 41 - HA LYS 44 far 0 57 0 - 7.2-7.6 HB3 MET 42 - HA GLU 37 far 0 99 0 - 7.4-8.6 HB3 MET 42 - HA LYS 44 far 0 56 0 - 7.5-7.9 HB2 LYS 65 - HA GLU 69 far 0 62 0 - 7.5-8.1 HB2 GLU 41 - HA LYS 44 far 0 56 0 - 8.0-8.3 HB VAL 104 - HA LYS 96 far 0 57 0 - 8.5-9.4 HB3 LYS 65 - HA LYS 96 far 0 44 0 - 9.0-10.4 HB3 GLU 52 - HA LYS 44 far 0 54 0 - 9.5-12.7 HB2 LYS 39 - HA LYS 44 far 0 47 0 - 9.7-10.6 HB3 LYS 39 - HA LYS 44 far 0 58 0 - 9.9-11.4 Violated in 2 structures by 0.00 A. Peak 8046 from cnoeabs.peaks (4.06, 1.95, 32.40 ppm; 3.83 A increased from 3.06 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 37 + HB3 LYS 40 OK 100 100 100 100 3.7-3.8 8045=100, 8044/1.8=85...(4) HA GLU 69 - HB3 LYS 65 far 0 62 0 - 6.6-8.7 HA3 GLY 125 - HB2 LYS 123 far 0 72 0 - 6.9-7.3 HA LYS 44 - HB3 LYS 40 far 0 100 0 - 7.2-8.5 HA GLU 69 - HB2 LYS 65 far 0 67 0 - 7.5-8.1 HA2 GLY 125 - HB2 LYS 123 far 0 68 0 - 7.5-7.8 HA SER 35 - HB3 LYS 40 far 0 84 0 - 8.6-9.6 HA LYS 96 - HB3 LYS 65 far 0 60 0 - 9.0-10.4 HA SER 35 - HB2 LYS 65 far 0 51 0 - 9.1-9.7 HA SER 35 - HB3 LYS 65 far 0 47 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 8047 from cnoeabs.peaks (8.72, 4.06, 59.21 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 41 + HA GLU 37 OK 100 100 100 100 3.5-4.2 2046=100, 230/8044=93...(4) H ASN 50 - HA LYS 44 far 0 59 0 - 5.7-11.3 H GLU 41 - HA LYS 44 far 0 59 0 - 7.4-7.8 H ARG 105 - HA GLU 91 far 0 37 0 - 8.5-9.5 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 4.2-4.9 1884/3.6=98, 228/2045=82...(5) 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 3.6-4.0 2045=100, 1261/8050=89...(8) Violated in 0 structures by 0.00 A. Peak 8050 from cnoeabs.peaks (1.95, 3.91, 59.13 ppm; 4.29 A increased from 4.03 A): 1 out of 7 assignments used, quality = 0.92: * HB2 GLU 41 + HA LEU 38 OK 92 100 100 92 2.8-4.3 1261/2045=59...(7) HB3 GLU 41 - HA LEU 38 far 0 100 0 - 4.4-5.2 HB3 MET 42 - HA LEU 38 far 0 100 0 - 4.8-6.4 HB3 LYS 39 - HA LEU 38 far 0 100 0 - 5.6-6.1 HB3 LYS 40 - HA LEU 38 far 0 99 0 - 6.5-6.9 HB2 LYS 39 - HA LEU 38 far 0 73 0 - 6.5-6.6 HB2 LEU 70 - HA LEU 38 far 0 96 0 - 7.2-8.3 Violated in 1 structures by 0.00 A. Peak 8051 from cnoeabs.peaks (3.91, 1.95, 28.25 ppm; 5.14 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 38 + HB2 GLU 41 OK 100 100 100 100 2.8-4.3 8050=100, 2045/1261=79...(6) HA LEU 38 + HB3 GLU 41 OK 100 100 100 100 4.4-5.2 8050/1.8=96, 2045/4.0=66...(6) HA LEU 64 - HB2 GLU 41 far 0 99 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 8052 from cnoeabs.peaks (1.95, 3.91, 59.13 ppm; 4.29 A increased from 4.03 A): 1 out of 7 assignments used, quality = 0.92: HB2 GLU 41 + HA LEU 38 OK 92 100 100 92 2.8-4.3 1262/2045=59...(7) ! HB3 GLU 41 - HA LEU 38 far 0 100 0 - 4.4-5.2 HB3 MET 42 - HA LEU 38 far 0 100 0 - 4.8-6.4 HB3 LYS 39 - HA LEU 38 far 0 100 0 - 5.6-6.1 HB3 LYS 40 - HA LEU 38 far 0 99 0 - 6.5-6.9 HB2 LYS 39 - HA LEU 38 far 0 77 0 - 6.5-6.6 HB2 LEU 70 - HA LEU 38 far 0 97 0 - 7.2-8.3 Violated in 1 structures by 0.00 A. Peak 8053 from cnoeabs.peaks (3.91, 1.95, 28.25 ppm; 5.14 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 38 + HB2 GLU 41 OK 100 100 100 100 2.8-4.3 8052=100, 2045/1262=79...(6) * HA LEU 38 + HB3 GLU 41 OK 100 100 100 100 4.4-5.2 8050/1.8=96, 2045/4.0=66...(6) HA LEU 64 - HB2 GLU 41 far 0 99 0 - 9.6-11.6 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 4.0-4.6 2051=83, 1886/2045=81...(9) H ASN 59 - HA LEU 38 far 0 77 0 - 9.0-10.0 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 4.0-4.7 2043=100, 228/3.6=99...(5) 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 3.2-3.7 2050=100, 1267/8057=53...(9) Violated in 0 structures by 0.00 A. Peak 8057 from cnoeabs.peaks (2.19, 3.84, 59.87 ppm; 4.58 A increased from 4.31 A): 1 out of 5 assignments used, quality = 0.99: * HB2 MET 42 + HA LYS 39 OK 99 100 100 99 3.6-4.4 1267/2050=60...(8) HG3 GLU 66 - HA LYS 39 far 0 99 0 - 7.0-7.7 HB2 MET 67 - HA LYS 39 far 0 87 0 - 7.0-7.8 HB3 GLU 37 - HA LYS 39 far 0 73 0 - 7.7-7.9 HB2 GLU 69 - HA LYS 39 far 0 92 0 - 8.6-10.2 Violated in 0 structures by 0.00 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 3.6-4.4 8057=100, 2050/1267=87...(8) Violated in 0 structures by 0.00 A. Peak 8059 from cnoeabs.peaks (1.95, 3.84, 59.87 ppm; 3.03 A): 3 out of 7 assignments used, quality = 1.00: HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 * HB3 MET 42 + HA LYS 39 OK 78 100 100 78 2.2-2.8 1.8/8057=29, 3.9/2050=23...(8) HB2 LYS 39 + HA LYS 39 OK 73 73 100 100 2.3-2.4 3.0=100 HB2 GLU 41 - HA LYS 39 far 0 100 0 - 4.9-6.8 HB2 LEU 70 - HA LYS 39 far 0 96 0 - 5.7-6.5 HB3 LYS 40 - HA LYS 39 far 0 99 0 - 6.1-6.6 HB3 GLU 41 - HA LYS 39 far 0 100 0 - 6.3-7.3 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 2.2-2.8 8057/1.8=100...(8) Violated in 0 structures by 0.00 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 3.7-4.4 2056=100, 244/2050=81...(9) 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 4.3-4.8 1886/3.6=79, 244/2055=78...(4) Violated in 1 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 3.5-3.8 2055=100, 1274/8065=82...(7) Violated in 0 structures by 0.00 A. Peak 8064 from cnoeabs.peaks (1.91, 4.02, 59.59 ppm; 3.24 A increased from 2.88 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 43 + HA LYS 40 OK 100 100 100 100 2.5-3.2 8065=100, 1274/2055=43...(5) HB3 LYS 43 - HA LYS 40 far 0 98 0 - 4.0-4.8 HB3 LYS 123 - HA GLU 119 far 0 91 0 - 5.4-7.1 HB2 LYS 44 - HA LYS 40 far 0 99 0 - 5.5-7.2 HB3 LYS 44 - HA LYS 40 far 0 100 0 - 7.1-8.4 HG2 MET 121 - HA GLU 119 far 0 85 0 - 7.3-8.3 HB2 LEU 45 - HA LYS 40 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 8065 from cnoeabs.peaks (4.02, 1.91, 31.96 ppm; 3.19 A increased from 2.84 A): 1 out of 8 assignments used, quality = 0.98: * HA LYS 40 + HB2 LYS 43 OK 98 100 100 98 2.5-3.2 8064=96, 2055/1274=42...(5) HA LYS 40 - HB3 LYS 43 far 0 96 0 - 4.0-4.8 HA GLU 92 - HB2 LYS 96 far 0 78 0 - 4.6-7.4 HA LYS 40 - HB2 LYS 44 far 0 94 0 - 5.5-7.2 HA3 GLY 75 - HB2 LYS 73 far 0 47 0 - 6.9-8.3 HA LYS 40 - HB3 LYS 44 far 0 97 0 - 7.1-8.4 HA3 GLY 75 - HB3 LYS 73 far 0 43 0 - 7.2-7.7 HA GLU 66 - HB2 LYS 73 far 0 55 0 - 9.6-10.4 Violated in 1 structures by 0.00 A. Peak 8066 from cnoeabs.peaks (1.90, 4.02, 59.59 ppm; 3.24 A increased from 2.88 A): 1 out of 8 assignments used, quality = 0.98: HB2 LYS 43 + HA LYS 40 OK 98 98 100 100 2.5-3.2 8067=100, 1275/2055=43...(5) ! HB3 LYS 43 - HA LYS 40 far 0 100 0 - 4.0-4.8 HB3 LYS 123 - HA GLU 119 far 0 77 0 - 5.4-7.1 HB2 LYS 44 - HA LYS 40 far 0 92 0 - 5.5-7.2 HB3 LYS 44 - HA LYS 40 far 0 99 0 - 7.1-8.4 HG2 MET 121 - HA GLU 119 far 0 66 0 - 7.3-8.3 HG LEU 45 - HA LYS 40 far 0 61 0 - 7.4-8.1 HB2 LEU 45 - HA LYS 40 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 8067 from cnoeabs.peaks (4.02, 1.90, 31.96 ppm; 3.19 A increased from 2.84 A): 1 out of 9 assignments used, quality = 0.94: HA LYS 40 + HB2 LYS 43 OK 94 96 100 98 2.5-3.2 8066=96, 2055/1275=42...(5) ! HA LYS 40 - HB3 LYS 43 far 0 100 0 - 4.0-4.8 HA GLU 92 - HB2 LYS 96 far 0 86 0 - 4.6-7.4 HA LYS 40 - HB2 LYS 44 far 0 77 0 - 5.5-7.2 HA3 GLY 75 - HB2 LYS 73 far 0 67 0 - 6.9-8.3 HA LYS 40 - HB3 LYS 44 far 0 92 0 - 7.1-8.4 HA3 GLY 75 - HB3 LYS 73 far 0 64 0 - 7.2-7.7 HA GLU 66 - HB2 LYS 73 far 0 76 0 - 9.6-10.4 HA GLU 13 - HB2 LYS 20 far 0 76 0 - 9.6-10.5 Violated in 1 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 3.3-3.7 2060=100, 4.0/8072=64...(8) Violated in 0 structures by 0.00 A. Peak 8071 from cnoeabs.peaks (1.91, 4.26, 58.07 ppm; 3.73 A increased from 3.51 A): 1 out of 6 assignments used, quality = 0.95: * HB2 LYS 44 + HA GLU 41 OK 95 100 95 100 3.1-3.9 8072=100, 4.0/2060=41...(6) HB2 LYS 43 - HA GLU 41 far 0 99 0 - 4.5-5.3 HB3 LYS 44 - HA GLU 41 far 0 99 0 - 4.5-5.3 HB3 LYS 43 - HA GLU 41 far 0 92 0 - 6.1-6.8 HB2 LEU 45 - HA GLU 41 far 0 97 0 - 7.0-7.6 HB2 LYS 49 - HA GLU 41 far 0 87 0 - 8.8-16.2 Violated in 2 structures by 0.01 A. Peak 8072 from cnoeabs.peaks (4.26, 1.91, 32.07 ppm; 3.72 A increased from 3.51 A): 1 out of 13 assignments used, quality = 0.95: * HA GLU 41 + HB2 LYS 44 OK 95 100 95 100 3.1-3.9 8071=99, 2060/4.0=41...(6) HA GLU 41 - HB2 LYS 43 far 0 94 0 - 4.5-5.3 HA GLU 41 - HB3 LYS 44 far 0 97 0 - 4.5-5.3 HA GLU 47 - HB3 LYS 43 far 0 57 0 - 5.8-6.1 HA GLU 41 - HB3 LYS 43 far 0 77 0 - 6.1-6.8 HA GLU 47 - HB3 LYS 44 far 0 78 0 - 6.9-7.2 HA LEU 127 - HB3 LYS 123 far 0 37 0 - 7.0-9.3 HA GLU 47 - HB2 LYS 43 far 0 74 0 - 7.0-7.5 HA ALA 46 - HB3 LYS 43 far 0 63 0 - 7.4-7.6 HA GLU 47 - HB2 LYS 44 far 0 84 0 - 7.6-7.8 HA ALA 46 - HB2 LYS 44 far 0 90 0 - 7.6-8.5 HA ALA 46 - HB3 LYS 44 far 0 84 0 - 7.7-8.3 HA ALA 46 - HB2 LYS 43 far 0 80 0 - 8.1-8.5 Violated in 2 structures by 0.01 A. Peak 8073 from cnoeabs.peaks (1.91, 4.26, 58.07 ppm; 3.73 A increased from 3.51 A): 1 out of 6 assignments used, quality = 0.94: HB2 LYS 44 + HA GLU 41 OK 94 99 95 100 3.1-3.9 8074=100, 4.0/2060=41...(6) HB2 LYS 43 - HA GLU 41 far 0 100 0 - 4.5-5.3 ! HB3 LYS 44 - HA GLU 41 far 0 100 0 - 4.5-5.3 HB3 LYS 43 - HA GLU 41 far 0 99 0 - 6.1-6.8 HB2 LEU 45 - HA GLU 41 far 0 100 0 - 7.0-7.6 HB2 LYS 49 - HA GLU 41 far 0 97 0 - 8.8-16.2 Violated in 2 structures by 0.01 A. Peak 8074 from cnoeabs.peaks (4.26, 1.91, 32.07 ppm; 3.72 A increased from 3.51 A): 1 out of 15 assignments used, quality = 0.92: HA GLU 41 + HB2 LYS 44 OK 92 97 95 100 3.1-3.9 8073=99, 2060/4.0=41...(6) HA GLU 41 - HB2 LYS 43 far 0 97 0 - 4.5-5.3 ! HA GLU 41 - HB3 LYS 44 far 0 100 0 - 4.5-5.3 HA GLU 47 - HB3 LYS 43 far 0 72 0 - 5.8-6.1 HA GLU 41 - HB3 LYS 43 far 0 92 0 - 6.1-6.8 HA GLU 47 - HB3 LYS 44 far 0 84 0 - 6.9-7.2 HA LEU 127 - HB3 LYS 123 far 0 31 0 - 7.0-9.3 HA GLU 47 - HB2 LYS 43 far 0 77 0 - 7.0-7.5 HA ALA 46 - HB3 LYS 43 far 0 78 0 - 7.4-7.6 HA GLU 47 - HB2 LYS 44 far 0 78 0 - 7.6-7.8 HA ALA 46 - HB2 LYS 44 far 0 84 0 - 7.6-8.5 HA ALA 46 - HB3 LYS 44 far 0 90 0 - 7.7-8.3 HA ALA 46 - HB2 LYS 73 far 0 61 0 - 8.0-11.0 HA ALA 46 - HB2 LYS 43 far 0 83 0 - 8.1-8.5 HA ALA 46 - HB3 LYS 73 far 0 57 0 - 8.8-11.3 Violated in 2 structures by 0.01 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 3.3-3.5 2065=100, 3997/8078=88...(9) Violated in 0 structures by 0.00 A. Peak 8078 from cnoeabs.peaks (1.90, 4.38, 57.05 ppm; 3.92 A increased from 3.69 A): 1 out of 8 assignments used, quality = 0.99: * HB2 LEU 45 + HA MET 42 OK 99 100 100 99 3.6-3.7 8079=68, 1.8/8080=52...(11) HB2 LYS 44 - HA MET 42 far 0 97 0 - 4.7-5.7 HB2 LYS 43 - HA MET 42 far 0 100 0 - 5.6-5.8 HB3 LYS 44 - HA MET 42 far 0 100 0 - 6.3-6.9 HB3 LYS 43 - HA MET 42 far 0 100 0 - 6.5-6.6 HB2 LYS 49 - HA MET 42 far 0 99 0 - 8.1-14.6 HB ILE 71 - HA MET 42 far 0 96 0 - 8.2-9.6 HB2 LYS 73 - HA MET 42 far 0 94 0 - 8.6-11.9 Violated in 0 structures by 0.00 A. Peak 8079 from cnoeabs.peaks (4.38, 1.90, 41.77 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 42 + HB2 LEU 45 OK 100 100 100 100 3.6-3.7 8078=100, 8080/1.8=70...(11) HA GLU 48 - HB2 LEU 45 far 0 92 0 - 6.8-8.5 Violated in 0 structures by 0.00 A. Peak 8080 from cnoeabs.peaks (1.49, 4.38, 57.05 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 45 + HA MET 42 OK 100 100 100 100 4.6-4.8 8081=97, 1.8/8078=95...(11) HG2 ARG 30 - HA MET 42 far 0 90 0 - 7.2-9.5 HG3 LYS 73 - HA MET 42 far 0 96 0 - 8.8-11.5 Violated in 2 structures by 0.00 A. Peak 8081 from cnoeabs.peaks (4.38, 1.49, 41.77 ppm; 4.84 A increased from 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 42 + HB3 LEU 45 OK 100 100 100 100 4.6-4.8 8080=100, 8078/1.8=96...(11) HA GLU 48 - HB3 LEU 45 far 0 92 0 - 6.2-8.4 HA SER 72 - HB3 LEU 45 far 0 65 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 8082 from cnoeabs.peaks (7.64, 4.38, 57.05 ppm; 6.05 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HA MET 42 OK 100 100 100 100 4.6-5.1 2071=100, 273/8078=96...(8) HD21 ASN 50 - HA MET 42 far 0 99 0 - 7.9-16.4 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 1 assignment used, quality = 1.00: * H ALA 46 + HA LYS 43 OK 100 100 100 100 3.4-3.6 2070=100, 1301/8086=65 Violated in 0 structures by 0.00 A. Peak 8085 from cnoeabs.peaks (1.55, 4.09, 59.39 ppm; 3.53 A increased from 3.13 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 46 + HA LYS 43 OK 100 100 100 100 3.1-3.5 8086=100, 1301/2070=56 HD3 LYS 106 - HA GLU 91 poor 13 24 55 - 2.7-5.9 HD3 LYS 94 - HA GLU 91 poor 7 23 30 - 3.0-5.3 HD2 LYS 94 - HA GLU 91 poor 5 23 20 - 2.5-4.9 HD2 LYS 106 - HA GLU 91 far 1 25 5 - 3.4-6.1 Violated in 0 structures by 0.00 A. Peak 8086 from cnoeabs.peaks (4.09, 1.55, 18.88 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.97: * HA LYS 43 + QB ALA 46 OK 97 100 100 97 3.1-3.5 8085=93, 2070/1301=54 Violated in 2 structures by 0.00 A. Peak 8089 from cnoeabs.peaks (7.71, 4.06, 59.50 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 47 + HA LYS 44 OK 98 100 100 98 3.1-3.5 2074=74, 1304/8090=70...(5) H LEU 70 + HA GLU 69 OK 91 91 100 100 3.5-3.6 3.6=100 H LYS 73 - HA GLU 69 far 0 81 0 - 4.3-4.9 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 7 assignments used, quality = 0.70: * HB2 GLU 47 + HA LYS 44 OK 70 100 100 70 2.0-2.2 8091=27, 1.8/8093=26...(4) HB2 GLU 48 - HA LYS 44 far 0 73 0 - 3.9-7.6 HB3 GLU 48 - HA LYS 44 far 0 73 0 - 4.0-7.8 HB3 GLN 100 - HA GLU 69 far 0 86 0 - 5.3-7.3 HB2 GLU 66 - HA GLU 69 far 0 63 0 - 7.4-7.8 HB3 MET 67 - HA GLU 69 far 0 87 0 - 7.4-7.7 HG3 GLU 52 - HA LYS 44 far 0 87 0 - 9.7-14.5 Violated in 0 structures by 0.00 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 2.0-2.2 8090=100, 8092/1.8=91...(4) Violated in 0 structures by 0.00 A. Peak 8092 from cnoeabs.peaks (2.11, 4.06, 59.50 ppm; 3.70 A increased from 2.96 A): 1 out of 4 assignments used, quality = 0.95: * HB3 GLU 47 + HA LYS 44 OK 95 100 100 95 3.3-3.5 8093=61, 1.8/8091=56...(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 - 8.1-8.4 HG2 GLU 52 - HA LYS 44 far 0 92 0 - 9.8-13.9 Violated in 0 structures by 0.00 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 3.3-3.5 8092=100, 8090/1.8=100...(4) Violated in 0 structures by 0.00 A. Peak 8095 from cnoeabs.peaks (7.67, 3.72, 59.63 ppm; 4.89 A increased from 4.60 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 63 + HA LYS 61 OK 99 100 100 99 4.3-4.9 1905/3.6=88, 384/2083=75...(4) 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 3.3-3.8 2083=100, 1418/8099=83...(8) HD21 ASN 10 - HA LYS 61 far 0 77 0 - 7.5-11.1 H GLU 69 - HA LYS 61 far 0 100 0 - 9.8-10.8 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 3.4-4.1 8098=90, 1.8/8099=86...(6) HB ILE 97 - HA LYS 61 far 0 61 0 - 9.0-9.9 HB VAL 32 - HA LYS 61 far 0 84 0 - 9.6-10.4 Violated in 0 structures by 0.00 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 3.4-4.1 8097=100, 8099/1.8=89...(6) Violated in 0 structures by 0.00 A. Peak 8099 from cnoeabs.peaks (1.63, 3.72, 59.63 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.98: * HB3 LEU 64 + HA LYS 61 OK 98 100 100 98 2.2-3.0 1.8/8097=63, 8100=58...(8) HG LEU 64 - HA LYS 61 far 0 84 0 - 4.9-5.7 HG LEU 63 - HA LYS 61 far 0 94 0 - 6.7-7.4 HB2 LEU 82 - HA LYS 61 far 0 96 0 - 9.0-9.7 Violated in 0 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 2.2-3.0 8099=100, 8097/1.8=86...(8) Violated in 0 structures by 0.00 A. Peak 8101 from cnoeabs.peaks (8.04, 3.72, 59.63 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 65 + HA LYS 61 OK 100 100 100 100 3.7-4.6 394/8099=98, 391/2083=89...(8) H THR 9 - HA LYS 61 far 0 98 0 - 7.2-8.4 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 3.7-4.7 2081=100, 384/3.6=89...(5) H GLU 69 - HA GLN 62 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 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 3.5-3.9 2087=100, 1908/8108=52...(6) Violated in 0 structures by 0.00 A. Peak 8104 from cnoeabs.peaks (1.93, 4.11, 58.30 ppm; 3.56 A increased from 3.00 A): 2 out of 2 assignments used, quality = 0.95: * HB2 LYS 65 + HA GLN 62 OK 92 100 100 92 3.1-3.6 8105=71, 7623/8108=48...(4) HB3 LYS 65 + HA GLN 62 OK 38 100 45 85 3.2-5.1 1.8/8105=52, 4.0/2087=37...(4) Violated in 0 structures by 0.00 A. Peak 8105 from cnoeabs.peaks (4.11, 1.93, 32.27 ppm; 3.55 A increased from 2.84 A): 2 out of 10 assignments used, quality = 0.95: * HA GLN 62 + HB2 LYS 65 OK 92 100 100 92 3.1-3.6 8104=70, 8108/7623=47...(4) HA GLN 62 + HB3 LYS 65 OK 38 100 45 85 3.2-5.1 8104/1.8=51, 2087/4.0=37...(4) HA LYS 43 - HB2 LYS 39 far 0 48 0 - 6.0-7.0 HA LYS 43 - HB3 LYS 39 far 0 24 0 - 6.9-8.3 HA LYS 43 - HB3 LYS 40 far 0 40 0 - 7.5-8.1 HA ASP 110 - HB2 LYS 115 far 0 80 0 - 8.1-9.6 HA ASP 110 - HB3 LYS 115 far 0 88 0 - 8.2-10.8 HB3 SER 72 - HB3 LYS 65 far 0 69 0 - 9.1-11.3 HB2 SER 72 - HB3 LYS 65 far 0 69 0 - 9.8-12.7 HB3 SER 72 - HB2 LYS 65 far 0 70 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8106 from cnoeabs.peaks (1.93, 4.11, 58.30 ppm; 3.56 A increased from 3.00 A): 2 out of 2 assignments used, quality = 0.95: HB2 LYS 65 + HA GLN 62 OK 92 100 100 92 3.1-3.6 8105=71, 7624/8108=48...(4) * HB3 LYS 65 + HA GLN 62 OK 38 100 45 85 3.2-5.1 1.8/8105=52, 4.0/2087=37...(4) Violated in 0 structures by 0.00 A. Peak 8107 from cnoeabs.peaks (4.11, 1.93, 32.27 ppm; 3.55 A increased from 2.84 A): 2 out of 10 assignments used, quality = 0.95: HA GLN 62 + HB2 LYS 65 OK 92 100 100 92 3.1-3.6 8106=70, 8108/7624=47...(4) * HA GLN 62 + HB3 LYS 65 OK 38 100 45 85 3.2-5.1 8104/1.8=51, 2087/4.0=37...(4) HA LYS 43 - HB2 LYS 39 far 0 47 0 - 6.0-7.0 HA LYS 43 - HB3 LYS 39 far 0 21 0 - 6.9-8.3 HA LYS 43 - HB3 LYS 40 far 0 37 0 - 7.5-8.1 HA ASP 110 - HB2 LYS 115 far 0 83 0 - 8.1-9.6 HA ASP 110 - HB3 LYS 115 far 0 88 0 - 8.2-10.8 HB3 SER 72 - HB3 LYS 65 far 0 70 0 - 9.1-11.3 HB2 SER 72 - HB3 LYS 65 far 0 70 0 - 9.8-12.7 HB3 SER 72 - HB2 LYS 65 far 0 69 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8108 from cnoeabs.peaks (7.80, 4.11, 58.30 ppm; 4.06 A increased from 3.82 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 66 + HA GLN 62 OK 99 100 100 99 4.0-4.0 2093=90, 1908/2087=55...(5) Violated in 0 structures by 0.00 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 4.6-5.0 391/3.6=88, 1908/2092=85...(4) 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 3.7-4.1 2092=100, 1435/8114=72...(10) Violated in 0 structures by 0.00 A. Peak 8111 from cnoeabs.peaks (2.04, 4.13, 56.64 ppm; 4.75 A increased from 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 66 + HA LEU 63 OK 100 100 100 100 4.2-4.5 1.8/8114=99...(6) HB3 MET 67 - HA LEU 63 far 0 94 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 8112 from cnoeabs.peaks (4.13, 2.04, 29.26 ppm; 2.95 A): 3 out of 8 assignments used, quality = 0.98: HA GLU 89 + HB2 GLU 89 OK 83 84 100 100 2.4-3.0 3.0=94, 3.8/5756=37...(31) HA GLU 89 + HB3 GLU 89 OK 83 84 100 100 2.4-2.5 3.0=94, 3.8/5761=22...(30) HA ARG 95 + HB3 GLU 98 OK 21 33 100 63 2.3-2.8 8219/1.8=31, 8221=29...(4) ! HA LEU 63 - HB2 GLU 66 far 0 100 0 - 4.2-4.5 HB3 SER 72 - HB3 GLN 100 far 0 72 0 - 4.6-7.9 HB2 SER 72 - HB3 GLN 100 far 0 72 0 - 4.8-8.2 HA ARG 95 - HB3 GLN 100 far 0 59 0 - 8.1-10.1 HB3 SER 72 - HB2 GLU 66 far 0 87 0 - 9.6-10.2 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 1 assignment used, quality = 1.00: * HB3 GLU 66 + HA LEU 63 OK 100 100 100 100 2.7-3.0 8114=100, 1435/2092=50...(7) Violated in 0 structures by 0.00 A. Peak 8114 from cnoeabs.peaks (4.13, 2.09, 29.26 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.98: * HA LEU 63 + HB3 GLU 66 OK 98 100 100 98 2.7-3.0 8113=80, 2092/1435=43...(7) HB3 SER 72 - HB3 GLU 69 far 0 75 0 - 4.2-4.9 HB2 SER 72 - HB3 GLU 69 far 0 75 0 - 4.7-6.0 Violated in 0 structures by 0.00 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 4.6-5.0 2090=100, 1908/3.6=98...(6) 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 1 assignment used, quality = 1.00: * H MET 67 + HA LEU 64 OK 100 100 100 100 3.5-3.8 2097=100, 1441/8120=88...(12) 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 4 assignments used, quality = 1.00: * HB2 MET 67 + HA LEU 64 OK 100 100 100 100 3.0-3.5 1.8/8120=90, 8119=76...(9) HB3 MET 1 - HA GLU 128 far 4 86 5 - 4.1-9.8 HG3 GLU 66 - HA LEU 64 far 0 73 0 - 7.6-8.1 HB2 GLU 69 - HA LEU 64 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 8119 from cnoeabs.peaks (3.91, 2.20, 33.44 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 64 + HB2 MET 67 OK 100 100 100 100 3.0-3.5 8118=100, 8120/1.8=97...(9) HA GLU 128 - HB3 MET 1 far 9 60 15 - 4.1-9.8 HA LEU 38 - HB2 MET 67 far 0 99 0 - 4.9-5.9 HB2 SER 35 - HB2 MET 67 far 0 87 0 - 9.1-10.4 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 = 0.99: * HB3 MET 67 + HA LEU 64 OK 99 100 100 99 3.0-3.4 8121=63, 1.8/8118=58...(9) HB2 MET 1 - HA GLU 128 far 0 49 0 - 4.0-9.1 HB2 GLU 66 - HA LEU 64 far 0 94 0 - 6.6-7.2 HG3 GLU 52 - HA GLU 128 far 0 86 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 8121 from cnoeabs.peaks (3.91, 2.05, 33.44 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HB3 MET 67 OK 100 100 100 100 3.0-3.4 8120=100, 8118/1.8=78...(9) HA LEU 38 - HB3 MET 67 far 0 99 0 - 6.6-7.3 Violated in 0 structures by 0.00 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 4.0-4.3 2103=100, 417/8120=97...(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 4.1-4.6 2095=100, 408/3.6=99...(6) 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 3.3-3.8 1447/8125=81...(8) 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 2 assignments used, quality = 0.94: * HB2 LEU 68 + HA LYS 65 OK 94 100 100 94 2.7-3.3 8126=56, 1.8/8127=45...(7) HB2 LEU 80 - HA LYS 65 far 0 98 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 8126 from cnoeabs.peaks (3.79, 1.75, 40.88 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 65 + HB2 LEU 68 OK 100 100 100 100 2.7-3.3 8125=98, 8127/1.8=45...(7) HA LEU 68 + HB2 LEU 68 OK 77 77 100 100 3.0-3.0 2.9=100 HA LYS 115 - HB2 LEU 114 far 0 67 0 - 4.0-4.2 HA ALA 113 - HB2 LEU 114 far 0 67 0 - 5.9-6.1 HB2 SER 58 - HB2 LEU 68 far 0 81 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 8127 from cnoeabs.peaks (1.38, 3.79, 60.23 ppm; 4.83 A increased from 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + HA LYS 65 OK 100 100 100 100 4.2-4.8 1.8/8125=98, 424/8129=61...(6) Violated in 1 structures by 0.00 A. Peak 8128 from cnoeabs.peaks (3.79, 1.38, 40.88 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.77: HA LEU 68 + HB3 LEU 68 OK 77 77 100 100 2.4-2.5 2.9=100 ! HA LYS 65 - HB3 LEU 68 far 0 100 0 - 4.2-4.8 HB2 SER 58 - HB3 LEU 68 far 0 81 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 8129 from cnoeabs.peaks (7.63, 3.79, 60.23 ppm; 4.44 A increased from 3.55 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 69 + HA LYS 65 OK 96 100 100 96 3.9-4.3 423/8125=65, 421/8124=50...(7) H LEU 64 - HA LYS 65 far 0 100 0 - 5.2-5.5 H GLN 100 - HA LYS 65 far 0 99 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 8131 from cnoeabs.peaks (7.63, 4.03, 59.12 ppm; 3.87 A increased from 3.64 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 69 + HA GLU 66 OK 99 100 100 99 3.7-3.9 2107=89, 1454/8132=64...(6) H LEU 64 - HA GLU 66 far 0 100 0 - 6.6-7.2 Violated in 1 structures by 0.00 A. Peak 8132 from cnoeabs.peaks (2.20, 4.03, 59.12 ppm; 3.43 A): 1 out of 5 assignments used, quality = 0.94: * HB2 GLU 69 + HA GLU 66 OK 94 100 100 94 2.8-3.5 8133=86, 1454/8131=44 HG3 GLU 66 - HA GLU 66 far 8 81 10 - 3.5-3.6 HB2 MET 67 - HA GLU 66 far 0 100 0 - 5.6-5.7 HB2 MET 42 - HA GLU 66 far 0 92 0 - 8.7-9.4 HB2 GLN 100 - HA GLU 66 far 0 94 0 - 9.5-11.1 Violated in 1 structures by 0.00 A. Peak 8133 from cnoeabs.peaks (4.03, 2.20, 29.14 ppm; 3.61 A increased from 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 66 + HB2 GLU 69 OK 100 100 100 100 2.8-3.5 8132=100, 8131/1454=49 HA3 GLY 101 - HB2 GLN 100 far 0 52 0 - 4.2-5.5 HA GLU 66 - HB2 GLN 100 far 0 84 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 8134 from cnoeabs.peaks (2.09, 4.03, 59.12 ppm; 2.74 A): 1 out of 9 assignments used, quality = 0.50: HB3 GLU 92 + HA GLU 92 OK 50 51 100 99 2.3-2.7 3.0=76, 1.8/5854=38...(27) HB3 GLU 66 - HA GLU 66 far 0 99 0 - 3.0-3.0 ! HB3 GLU 69 - HA GLU 66 far 0 100 0 - 4.4-5.0 HB2 LYS 94 - HA GLU 92 far 0 47 0 - 5.2-6.8 HB3 MET 121 - HA LYS 123 far 0 78 0 - 7.5-8.0 HG2 GLU 119 - HA LYS 123 far 0 75 0 - 8.6-10.0 HB2 GLU 87 - HA GLU 92 far 0 84 0 - 9.3-9.8 HG2 GLU 21 - HA GLU 13 far 0 63 0 - 9.8-11.2 HB3 PHE 79 - HA LYS 123 far 0 72 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 8135 from cnoeabs.peaks (4.03, 2.09, 29.14 ppm; 3.15 A increased from 2.80 A): 1 out of 2 assignments used, quality = 0.92: HA GLU 66 + HB3 GLU 66 OK 92 92 100 100 3.0-3.0 3.0=100 ! HA GLU 66 - HB3 GLU 69 far 0 100 0 - 4.4-5.0 Violated in 0 structures by 0.00 A. Peak 8137 from cnoeabs.peaks (7.63, 3.95, 59.96 ppm; 5.11 A increased from 4.81 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA MET 67 OK 100 100 100 100 4.5-4.8 2105=100, 421/3.6=85...(5) H LEU 64 - HA MET 67 far 0 100 0 - 7.1-7.3 H LEU 74 - HA MET 67 far 0 65 0 - 8.5-9.1 Violated in 0 structures by 0.00 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 3.5-3.8 2112=100, 1460/8139=82...(10) H LYS 73 - HA MET 67 far 0 98 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 8139 from cnoeabs.peaks (1.94, 3.95, 59.96 ppm; 3.42 A): 1 out of 8 assignments used, quality = 0.97: * HB2 LEU 70 + HA MET 67 OK 97 100 100 97 2.5-3.0 3.1/9702=48, 8140=45...(9) HB3 MET 42 - HA MET 67 far 0 96 0 - 5.2-6.0 HB2 GLU 41 - HA MET 67 far 0 96 0 - 6.8-9.3 HB2 LYS 65 - HA MET 67 far 0 96 0 - 7.2-7.5 HB3 LYS 39 - HA MET 67 far 0 98 0 - 7.6-9.1 HB2 LYS 39 - HA MET 67 far 0 96 0 - 7.7-8.3 HB3 GLU 41 - HA MET 67 far 0 97 0 - 7.7-9.2 HB3 LYS 65 - HA MET 67 far 0 94 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 8140 from cnoeabs.peaks (3.95, 1.94, 41.94 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 67 + HB2 LEU 70 OK 100 100 100 100 2.5-3.0 8139=100, 9702/3.1=76...(9) HA MET 121 - HB2 LEU 127 far 0 47 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 8141 from cnoeabs.peaks (1.57, 3.95, 59.96 ppm; 4.67 A increased from 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + HA MET 67 OK 100 100 100 100 4.1-4.6 8142=99, 1.8/8139=99...(9) HG LEU 68 - HA MET 67 far 0 65 0 - 5.3-5.7 HB VAL 78 - HA MET 67 far 0 84 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 8142 from cnoeabs.peaks (3.95, 1.57, 41.94 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HB3 LEU 70 OK 100 100 100 100 4.1-4.6 8141=100, 8139/1.8=99...(9) 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 4.1-4.5 436/8139=79, 434/2112=68...(10) Violated in 0 structures by 0.00 A. Peak 8144 from cnoeabs.peaks (7.72, 3.78, 57.94 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 68 OK 100 100 100 100 4.4-4.9 2110=100, 428/3.6=99...(6) H LYS 73 - HA LEU 68 far 0 98 0 - 6.9-7.3 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 3.3-3.6 2117=100, 1467/8146=70...(8) H LEU 80 - HA LEU 68 far 0 100 0 - 7.9-8.8 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 3 assignments used, quality = 1.00: * HB ILE 71 + HA LEU 68 OK 100 100 100 100 2.6-3.1 8147=93, 3.2/9760=59...(10) QE MET 67 - HA LEU 68 far 0 73 0 - 6.3-6.4 HB2 LYS 73 - HA LEU 68 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 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 2.6-3.1 8146=100, 9760/3.2=61...(10) HA LYS 65 - HB ILE 71 far 0 77 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 8148 from cnoeabs.peaks (8.02, 3.78, 57.94 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: * H SER 72 + HA LEU 68 OK 100 100 100 100 4.2-4.7 2123=100, 441/2117=86...(9) H LYS 65 - HA LEU 68 far 0 77 0 - 7.1-7.5 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 3.2-3.5 2122=100, 4.0/8153=70...(5) H LYS 65 - HA GLU 69 far 0 77 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 8151 from cnoeabs.peaks (4.12, 4.05, 59.42 ppm; 2.90 A increased from 2.57 A): 1 out of 3 assignments used, quality = 0.99: HB3 SER 72 + HA GLU 69 OK 99 100 100 99 2.6-2.8 8154=99, 4.0/2122=23 ! HB2 SER 72 - HA GLU 69 far 0 100 0 - 3.4-4.4 HA LEU 63 - HA GLU 37 far 0 60 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 8152 from cnoeabs.peaks (4.05, 4.12, 62.78 ppm; 2.91 A increased from 2.73 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 69 + HB3 SER 72 OK 100 100 100 100 2.6-2.8 8153=100, 2122/4.0=23 ! HA GLU 69 - HB2 SER 72 far 0 100 0 - 3.4-4.4 Violated in 0 structures by 0.00 A. Peak 8153 from cnoeabs.peaks (4.12, 4.05, 59.42 ppm; 2.90 A increased from 2.57 A): 1 out of 3 assignments used, quality = 0.99: * HB3 SER 72 + HA GLU 69 OK 99 100 100 99 2.6-2.8 8154=99, 4.0/2122=23 HB2 SER 72 - HA GLU 69 far 0 100 0 - 3.4-4.4 HA LEU 63 - HA GLU 37 far 0 60 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 8154 from cnoeabs.peaks (4.05, 4.12, 62.78 ppm; 2.91 A increased from 2.73 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 69 + HB3 SER 72 OK 100 100 100 100 2.6-2.8 8153=100, 2122/4.0=23 HA GLU 69 - HB2 SER 72 far 0 100 0 - 3.4-4.4 Violated in 0 structures by 0.00 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 2.8-2.8 3.0=100 * H LYS 73 + HA LEU 70 OK 97 100 100 97 3.5-3.8 2126=79, 1479/8160=43...(6) Violated in 0 structures by 0.00 A. Peak 8158 from cnoeabs.peaks (1.90, 4.16, 57.77 ppm; 4.39 A increased from 3.51 A): 1 out of 6 assignments used, quality = 0.99: * HB2 LYS 73 + HA LEU 70 OK 99 100 100 99 3.5-4.2 8161=76, 1478/2126=62...(5) HB3 LYS 73 - HA LEU 70 far 0 100 0 - 4.7-5.4 HB ILE 71 - HA LEU 70 far 0 100 0 - 5.8-5.9 QE MET 67 - HA LEU 70 far 0 77 0 - 7.9-8.6 HB2 LEU 45 - HA LEU 70 far 0 94 0 - 8.2-9.2 HG LEU 45 - HA LEU 70 far 0 84 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 8159 from cnoeabs.peaks (4.16, 1.90, 32.15 ppm; 4.40 A increased from 3.70 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 70 + HB2 LYS 73 OK 100 100 100 100 3.5-4.2 8158=100, 2126/1478=63...(5) HA LEU 45 + HB3 LYS 44 OK 32 56 60 95 4.3-5.1 ~265=32, ~7511=30...(10) HA LEU 70 - HB3 LYS 73 far 0 100 0 - 4.7-5.4 HA ARG 95 - HB2 LYS 96 far 0 79 0 - 5.6-6.5 HA LEU 45 - HB3 LYS 43 far 0 59 0 - 7.6-7.9 HA LEU 45 - HB2 LYS 43 far 0 41 0 - 7.6-7.9 HA GLU 89 - HB2 LYS 96 far 0 70 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 8160 from cnoeabs.peaks (1.89, 4.16, 57.77 ppm; 4.39 A increased from 3.51 A): 1 out of 6 assignments used, quality = 0.99: HB2 LYS 73 + HA LEU 70 OK 99 100 100 99 3.5-4.2 8161=76, 1479/2126=62...(5) ! HB3 LYS 73 - HA LEU 70 far 0 100 0 - 4.7-5.4 HB ILE 71 - HA LEU 70 far 0 100 0 - 5.8-5.9 QE MET 67 - HA LEU 70 far 0 81 0 - 7.9-8.6 HB2 LEU 45 - HA LEU 70 far 0 92 0 - 8.2-9.2 HG LEU 45 - HA LEU 70 far 0 87 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 8161 from cnoeabs.peaks (4.16, 1.89, 32.15 ppm; 4.40 A increased from 3.70 A): 2 out of 7 assignments used, quality = 1.00: HA LEU 70 + HB2 LYS 73 OK 100 100 100 100 3.5-4.2 8160=100, 2126/1479=63...(5) HA LEU 45 + HB3 LYS 44 OK 30 52 60 95 4.3-5.1 ~265=32, ~7511=30...(10) ! HA LEU 70 - HB3 LYS 73 far 0 100 0 - 4.7-5.4 HA ARG 95 - HB2 LYS 96 far 0 76 0 - 5.6-6.5 HA LEU 45 - HB3 LYS 43 far 0 57 0 - 7.6-7.9 HA LEU 45 - HB2 LYS 43 far 0 38 0 - 7.6-7.9 HA GLU 89 - HB2 LYS 96 far 0 67 0 - 8.6-11.0 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 2 assignments used, quality = 1.00: * H LYS 73 + HA ILE 71 OK 100 100 100 100 4.0-4.7 2124=100, 1915/3.6=94...(8) H LEU 70 + HA ILE 71 OK 98 98 100 100 5.2-5.4 434/3.0=98, 2114/3.6=79...(4) 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 3.3-3.6 1592/8165=61...(9) H ASP 109 - HA GLU 87 far 0 90 0 - 9.7-10.5 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 1.9-2.1 1.8/8167=76...(8) Violated in 0 structures by 0.00 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 1.9-2.1 8165=100, 8167/1.8=97...(8) HA GLU 92 - HB2 LEU 90 far 0 100 0 - 7.7-7.9 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 3.4-3.7 1.8/8165=74...(7) HB3 LYS 106 - HA GLU 87 far 0 96 0 - 4.5-5.6 HB2 LYS 106 - HA GLU 87 far 0 98 0 - 5.7-6.8 HB3 LYS 94 - HA GLU 87 far 0 84 0 - 6.3-7.1 HB3 LEU 82 - HA GLU 87 far 0 81 0 - 7.4-8.1 Violated in 0 structures by 0.00 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 3.4-3.7 8167=100, 8165/1.8=95...(7) HA GLU 92 - HB3 LEU 90 far 0 100 0 - 8.5-8.7 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 3.8-4.2 2139=66, 1600/8174=65...(6) Violated in 0 structures by 0.00 A. Peak 8172 from cnoeabs.peaks (2.13, 4.56, 55.64 ppm; 4.29 A increased from 3.61 A): 1 out of 2 assignments used, quality = 0.98: * HB2 GLU 91 + HA ASN 88 OK 98 100 100 98 3.9-4.2 1.8/8174=84...(5) HB3 GLU 92 - HA ASN 88 far 0 65 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 8173 from cnoeabs.peaks (4.56, 2.13, 28.97 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 88 + HB2 GLU 91 OK 100 100 100 100 3.9-4.2 8172=100, 8174/1.8=100...(5) HA PHE 79 - HB2 GLU 119 far 0 86 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 8174 from cnoeabs.peaks (2.07, 4.56, 55.64 ppm; 3.99 A increased from 3.55 A): 1 out of 3 assignments used, quality = 0.95: * HB3 GLU 91 + HA ASN 88 OK 95 100 100 95 3.7-4.0 1.8/8172=68...(5) HB2 GLU 92 - HA ASN 88 far 0 73 0 - 5.2-6.4 HB2 LYS 94 - HA ASN 88 far 0 100 0 - 8.0-9.1 Violated in 2 structures by 0.00 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 3.7-4.0 8174=100, 8172/1.8=99...(5) Violated in 0 structures by 0.00 A. Peak 8177 from cnoeabs.peaks (7.94, 4.15, 58.25 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.95: * H GLU 91 + HA GLU 89 OK 95 100 95 100 4.3-4.8 2137=81, 566/3.6=78...(4) Violated in 4 structures by 0.01 A. Peak 8178 from cnoeabs.peaks (8.09, 4.15, 58.25 ppm; 4.06 A increased from 3.42 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 92 + HA GLU 89 OK 98 100 100 98 3.4-3.9 2144=72, 1605/8180=68...(6) H PHE 93 - HA GLU 89 far 4 77 5 - 4.1-4.8 Violated in 0 structures by 0.00 A. Peak 8179 from cnoeabs.peaks (2.05, 4.15, 58.25 ppm; 3.23 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLU 92 + HA GLU 89 OK 93 100 100 93 2.4-3.0 8180=77, 1605/8178=37...(5) 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 2.4-2.5 3.0=100 HB3 GLU 91 - HA GLU 89 far 0 73 0 - 5.7-6.2 HB2 LYS 94 - HA GLU 89 far 0 70 0 - 7.5-8.9 HB3 GLU 87 - HA GLU 89 far 0 84 0 - 7.9-8.1 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 = 0.88: * HA GLU 89 + HB2 GLU 92 OK 88 100 100 88 2.4-3.0 8181/1.8=46...(5) HA ARG 95 - HB3 GLN 100 far 0 57 0 - 8.1-10.1 HA ARG 95 - HB2 GLU 92 far 0 100 0 - 8.3-8.9 HA LEU 70 - HB3 GLN 100 far 0 40 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 8181 from cnoeabs.peaks (2.11, 4.15, 58.25 ppm; 4.51 A increased from 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 92 + HA GLU 89 OK 100 100 100 100 4.0-4.5 1.8/8180=96, 8182=96...(5) HB2 GLU 91 - HA GLU 89 far 0 65 0 - 5.3-5.7 HB2 GLU 87 - HA GLU 89 far 0 84 0 - 7.6-7.8 Violated in 3 structures by 0.00 A. Peak 8182 from cnoeabs.peaks (4.15, 2.11, 28.93 ppm; 4.57 A increased from 3.85 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 89 + HB3 GLU 92 OK 100 100 100 100 4.0-4.5 8181=100, 8180/1.8=97...(5) HA GLN 122 - HB3 GLU 119 far 0 76 0 - 7.2-7.7 HA GLN 122 - HB2 GLU 119 far 0 65 0 - 7.9-8.1 HA ARG 95 - HB3 GLU 92 far 0 100 0 - 7.9-8.7 HA ALA 124 - HB3 GLU 119 far 0 92 0 - 9.5-10.3 HA ALA 124 - HB2 GLU 119 far 0 81 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8185 from cnoeabs.peaks (8.10, 4.21, 56.94 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.99: * H PHE 93 + HA LEU 90 OK 99 100 100 99 3.7-4.1 2149=97, 1612/8188=51...(4) H GLU 92 - HA LEU 90 far 0 77 0 - 4.7-4.9 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 4.2-4.7 8187=100, 1.8/8188=94...(5) 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 4.2-4.7 8188/1.8=87...(5) 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 3.4-3.7 8189=93, 1.8/8187=72...(5) HE2 LYS 94 - HA LEU 90 far 0 70 0 - 7.2-9.0 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 3.4-3.7 8188=100, 8187/1.8=75...(5) Violated in 0 structures by 0.00 A. Peak 8190 from cnoeabs.peaks (8.61, 4.21, 56.94 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 94 + HA LEU 90 OK 100 100 100 100 4.1-4.3 2155=100, 585/8185=95...(6) H GLN 85 - HA LEU 90 far 0 90 0 - 7.0-7.6 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 3.0-3.4 2154=100, 1620/8195=69...(10) H LYS 94 - HA LYS 96 far 0 70 0 - 6.6-6.9 H LYS 49 - HA LYS 43 far 0 32 0 - 8.1-11.3 H ILE 71 - HA LYS 43 far 0 28 0 - 9.8-10.8 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 8 assignments used, quality = 1.00: HB3 GLU 91 + HA GLU 91 OK 99 100 100 99 2.7-2.7 5830=81, 1600/2.9=38...(13) * HB2 LYS 94 + HA GLU 91 OK 68 100 80 85 1.9-3.3 1.8/8195=48, 8194=26...(10) HB2 GLU 47 - HA LYS 43 far 0 21 0 - 4.6-5.3 HB3 GLU 98 - HA LYS 96 far 0 41 0 - 5.4-5.8 HB2 GLU 92 - HA GLU 91 far 0 70 0 - 5.5-5.7 HB2 LYS 94 - HA LYS 96 far 0 70 0 - 7.1-8.4 HB3 GLU 98 - HA GLU 91 far 0 70 0 - 7.7-8.3 HB2 GLU 92 - HA LYS 96 far 0 41 0 - 8.1-8.8 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 = 1.00: * HA GLU 91 + HB2 LYS 94 OK 100 100 100 100 1.9-3.3 8195/1.8=96, 8197/595=64...(10) HA LYS 96 - HB2 LYS 94 far 0 96 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 8195 from cnoeabs.peaks (1.74, 4.07, 59.13 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.92: * HB3 LYS 94 + HA GLU 91 OK 92 100 100 92 2.0-3.4 1.8/8194=46...(9) HB3 LEU 90 - HA GLU 91 far 0 84 0 - 5.5-5.6 HB2 LYS 106 - HA GLU 91 far 0 61 0 - 6.3-7.4 HB3 LEU 82 - HA GLU 91 far 0 100 0 - 7.1-7.7 HB3 LYS 94 - HA LYS 96 far 0 70 0 - 7.4-8.5 HG3 ARG 105 - HA GLU 91 far 0 70 0 - 9.9-11.1 Violated in 0 structures by 0.00 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 2.0-3.4 8195=100, 8194/1.8=88...(9) HA LYS 96 - HB3 LYS 94 far 0 96 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 8197 from cnoeabs.peaks (8.16, 4.07, 59.13 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.90: * H ARG 95 + HA GLU 91 OK 90 100 100 90 2.9-3.8 596/8195=51...(7) H LEU 45 - HA LYS 43 far 3 32 10 - 3.9-4.3 H ARG 95 - HA LYS 96 far 0 70 0 - 5.3-5.4 Violated in 1 structures by 0.00 A. Peak 8199 from cnoeabs.peaks (8.16, 4.03, 59.25 ppm; 4.47 A increased from 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HA GLU 92 OK 100 100 100 100 3.8-4.4 2159=99, 1629/8201=48...(6) Violated in 0 structures by 0.00 A. Peak 8200 from cnoeabs.peaks (1.90, 4.03, 59.25 ppm; 3.07 A increased from 2.89 A): 1 out of 12 assignments used, quality = 0.60: HB3 LYS 123 + HA LYS 123 OK 60 60 100 100 2.6-3.0 2.9=100 ! HB2 ARG 95 - HA GLU 92 far 0 100 0 - 3.4-4.9 HB3 LYS 16 - HA GLU 13 far 0 40 0 - 4.3-5.2 HB2 LYS 16 - HA GLU 13 far 0 38 0 - 4.4-5.2 HB2 LYS 96 - HA GLU 92 far 0 99 0 - 4.6-7.4 HB ILE 15 - HA GLU 13 far 0 35 0 - 4.8-5.1 HB3 LYS 123 - HA GLU 119 far 0 34 0 - 5.4-7.1 QE MET 67 - HA GLU 66 far 0 54 0 - 6.5-6.8 HB ILE 71 - HA GLU 66 far 0 87 0 - 8.2-8.6 HB2 GLU 128 - HA LYS 123 far 0 92 0 - 8.4-9.8 HB2 LYS 73 - HA GLU 66 far 0 87 0 - 9.6-10.4 HB2 LYS 20 - HA GLU 13 far 0 59 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8201 from cnoeabs.peaks (4.03, 1.90, 29.82 ppm; 3.85 A): 2 out of 6 assignments used, quality = 0.75: * HA GLU 92 + HB2 ARG 95 OK 63 100 75 84 3.4-4.9 8199/1629=47...(5) HA2 GLY 125 + HB2 GLU 128 OK 33 54 85 70 2.7-4.5 2262/1837=29...(8) HB2 SER 126 - HB2 GLU 128 far 0 91 0 - 6.5-8.4 HB3 SER 126 - HB2 GLU 128 far 0 98 0 - 6.6-8.9 HA LYS 123 - HB2 GLU 128 far 0 94 0 - 8.4-9.8 HA GLU 87 - HB2 ARG 95 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 8202 from cnoeabs.peaks (1.97, 4.03, 59.25 ppm; 2.93 A): 0 out of 3 assignments used, quality = 0.00: ! HB3 ARG 95 - HA GLU 92 far 0 100 0 - 5.0-5.7 HB3 LYS 96 - HA GLU 92 far 0 100 0 - 5.2-6.6 HB3 GLU 128 - HA LYS 123 far 0 63 0 - 8.9-10.5 Violated in 20 structures by 2.00 A. Peak 8203 from cnoeabs.peaks (4.03, 1.97, 29.82 ppm; 4.00 A): 0 out of 1 assignment used, quality = 0.00: ! HA GLU 92 - HB3 ARG 95 far 0 100 0 - 5.0-5.7 Violated in 20 structures by 1.32 A. Peak 8205 from cnoeabs.peaks (8.16, 4.34, 60.45 ppm; 5.34 A increased from 5.02 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 95 + HA PHE 93 OK 99 100 100 99 4.5-5.1 1937/3.6=89...(3) H ARG 95 - HA SER 99 far 0 99 0 - 8.5-9.0 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 3.5-3.7 6091/8210=75...(10) H LYS 96 - HA SER 99 far 0 99 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 8207 from cnoeabs.peaks (1.90, 4.34, 60.45 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 96 + HA PHE 93 OK 100 100 100 100 2.6-4.0 8208=100, 1.8/8210=87...(8) HB2 ARG 95 - HA PHE 93 far 0 99 0 - 5.3-7.0 HB2 ARG 95 - HA SER 99 far 0 98 0 - 7.7-8.7 HB2 LYS 96 - HA SER 99 far 0 99 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 8208 from cnoeabs.peaks (4.34, 1.90, 32.07 ppm; 4.18 A increased from 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 93 + HB2 LYS 96 OK 100 100 100 100 2.6-4.0 8207=98, 8210/1.8=86...(8) HA GLU 98 - HB2 LYS 96 far 0 99 0 - 7.6-8.1 HA SER 99 - HB2 LYS 96 far 0 100 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 8209 from cnoeabs.peaks (1.97, 4.34, 60.45 ppm; 5.10 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 96 + HA PHE 93 OK 100 100 100 100 2.5-3.2 8210=100, 1.8/8208=96...(9) HB3 ARG 95 - HA SER 99 far 0 99 0 - 6.4-7.3 HB3 ARG 95 - HA PHE 93 far 0 100 0 - 6.9-7.3 HB3 LYS 96 - HA SER 99 far 0 99 0 - 8.4-8.9 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 2.5-3.2 8208/1.8=63...(9) HA GLU 98 - HB3 LYS 96 far 0 99 0 - 7.2-7.6 HA SER 99 - HB3 LYS 96 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 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 4.3-4.7 7797/8210=81...(9) H ILE 97 - HA SER 99 far 0 99 0 - 6.9-7.2 Violated in 0 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 3.5-3.8 2169=97, 1647/8214=72...(7) 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 3 assignments used, quality = 1.00: * HB ILE 97 + HA LYS 94 OK 100 100 100 100 3.2-3.7 8215=67, 3.2/10104=57...(8) HB3 ARG 105 - HA LYS 94 far 0 96 0 - 8.7-9.4 HB2 LEU 64 - HA LYS 94 far 0 61 0 - 9.8-10.3 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 3.2-3.7 8214=100, 10103/2.1=73...(8) Violated in 0 structures by 0.00 A. Peak 8216 from cnoeabs.peaks (8.67, 3.62, 60.08 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HA LYS 94 OK 100 100 100 100 4.1-4.5 2175=100, 623/8214=88...(9) H VAL 104 - HA LYS 94 far 0 61 0 - 6.4-7.2 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 = 0.99: * HB2 GLU 98 + HA ARG 95 OK 99 100 100 99 1.9-2.3 8220=88, 1.8/8221=76...(4) Violated in 0 structures by 0.00 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 1.9-2.3 8219=100, 8221/1.8=80...(4) HA LEU 63 - HB3 GLU 37 far 0 36 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 8221 from cnoeabs.peaks (2.05, 4.15, 59.10 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.94: * HB3 GLU 98 + HA ARG 95 OK 94 100 100 94 2.3-2.8 1.8/8219=70, 8222=47...(4) HB2 LYS 94 - HA ARG 95 far 0 70 0 - 3.9-5.5 HB3 GLU 91 - HA ARG 95 far 0 73 0 - 7.2-8.1 HB3 GLN 100 - HA ARG 95 far 0 99 0 - 8.1-10.1 HB2 GLU 92 - HA ARG 95 far 0 100 0 - 8.3-8.9 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 8 assignments used, quality = 0.97: * HA ARG 95 + HB3 GLU 98 OK 90 100 100 90 2.3-2.8 8221=63, 8219/1.8=51...(4) 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 2.4-2.5 3.0=100 HA LEU 63 - HB2 GLU 66 far 0 33 0 - 4.2-4.5 HA LEU 70 - HB2 GLU 66 far 0 43 0 - 6.5-7.3 HA GLU 89 - HB3 GLU 87 far 0 58 0 - 7.9-8.1 HA ARG 95 - HB3 GLN 100 far 0 72 0 - 8.1-10.1 HA LEU 70 - HB3 GLN 100 far 0 59 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 8223 from cnoeabs.peaks (8.10, 4.15, 59.10 ppm; 4.55 A increased from 4.28 A): 1 out of 3 assignments used, quality = 0.94: * H SER 99 + HA ARG 95 OK 94 100 95 99 3.9-4.7 7812/8221=77, 2179=73...(4) H PHE 93 - HA ARG 95 far 0 99 0 - 7.0-7.4 H GLU 92 - HA ARG 95 far 0 90 0 - 7.3-7.7 Violated in 1 structures by 0.01 A. Peak 8225 from cnoeabs.peaks (8.10, 4.07, 58.93 ppm; 3.77 A increased from 3.55 A): 1 out of 6 assignments used, quality = 0.57: H GLU 92 + HA GLU 91 OK 57 57 100 100 3.6-3.6 3.6=100 ! H SER 99 - HA LYS 96 far 0 100 0 - 4.0-4.3 H PHE 93 - HA GLU 91 far 0 68 0 - 4.1-4.9 H PHE 93 - HA LYS 96 far 0 99 0 - 7.1-7.4 H GLU 92 - HA LYS 96 far 0 90 0 - 8.3-8.9 H SER 99 - HA GLU 91 far 0 70 0 - 9.5-10.1 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 2 assignments used, quality = 0.00: HB3 SER 99 - HA LYS 96 far 0 100 0 - 4.0-5.9 ! HB2 SER 99 - HA LYS 96 far 0 100 0 - 4.0-5.7 Violated in 20 structures by 1.63 A. Peak 8227 from cnoeabs.peaks (4.07, 4.00, 62.68 ppm; 2.73 A): 0 out of 3 assignments used, quality = 0.00: HA LYS 96 - HB3 SER 99 far 0 100 0 - 4.0-5.9 ! HA LYS 96 - HB2 SER 99 far 0 100 0 - 4.0-5.7 HA GLU 69 - HB3 SER 99 far 0 92 0 - 10.0-12.9 Violated in 20 structures by 1.30 A. Peak 8228 from cnoeabs.peaks (4.00, 4.07, 58.93 ppm; 2.40 A): 0 out of 2 assignments used, quality = 0.00: ! HB3 SER 99 - HA LYS 96 far 0 100 0 - 4.0-5.9 HB2 SER 99 - HA LYS 96 far 0 100 0 - 4.0-5.7 Violated in 20 structures by 1.63 A. Peak 8229 from cnoeabs.peaks (4.07, 4.00, 62.68 ppm; 2.73 A): 0 out of 3 assignments used, quality = 0.00: ! HA LYS 96 - HB3 SER 99 far 0 100 0 - 4.0-5.9 HA LYS 96 - HB2 SER 99 far 0 100 0 - 4.0-5.7 HA GLU 69 - HB3 SER 99 far 0 92 0 - 10.0-12.9 Violated in 20 structures by 1.30 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 3.4-3.9 2187=100, 1741/8233=84...(8) H VAL 117 - HA ASP 110 far 0 100 0 - 8.9-9.7 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 5 assignments used, quality = 0.99: * QB ALA 113 + HA ASP 110 OK 99 100 100 99 2.5-3.2 8234=89, 1741/2187=41...(11) HB3 GLN 83 - HA ASP 110 far 0 92 0 - 5.7-6.8 HB3 LEU 114 - HA ASP 110 far 0 84 0 - 7.5-7.9 HG3 LYS 17 - HA ASP 110 far 0 61 0 - 7.8-8.5 HG3 LYS 16 - HA ASP 110 far 0 81 0 - 8.9-10.1 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 2.5-3.2 8233=100, 2187/1741=45...(11) 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 = 1.00: * H LEU 114 + HA ASP 110 OK 100 100 100 100 4.7-5.2 717/8233=98, 715/2187=86 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 3.5-3.8 2191=79, 1746/11192=61...(7) Violated in 0 structures by 0.00 A. Peak 8238 from cnoeabs.peaks (1.74, 3.99, 59.36 ppm; 3.90 A increased from 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 114 + HA GLU 111 OK 100 100 100 100 3.5-3.9 8239=84, 3.0/11192=62...(8) HG2 LYS 17 - HA GLU 111 far 0 57 0 - 7.4-8.4 HG2 ARG 118 - HA GLU 111 far 0 98 0 - 8.3-10.8 Violated in 2 structures by 0.00 A. Peak 8239 from cnoeabs.peaks (3.99, 1.74, 40.94 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 111 + HB2 LEU 114 OK 100 100 100 100 3.5-3.9 8238=100, 11192/3.0=69...(8) HA GLU 112 - HB2 LEU 114 far 0 94 0 - 4.8-5.4 HA LEU 14 - HB2 LEU 114 far 0 100 0 - 6.9-7.6 HA LYS 17 - HB2 LEU 114 far 0 99 0 - 7.7-8.2 HB3 SER 99 - HB2 LEU 68 far 0 64 0 - 9.9-12.0 HB2 SER 99 - HB2 LEU 68 far 0 64 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 8240 from cnoeabs.peaks (1.40, 3.99, 59.36 ppm; 3.53 A): 0 out of 4 assignments used, quality = 0.00: ! HB3 LEU 114 - HA GLU 111 far 0 100 0 - 4.6-5.2 QB ALA 113 - HA GLU 111 far 0 84 0 - 4.7-5.0 HG LEU 14 - HA GLU 111 far 0 61 0 - 6.8-7.6 HG3 LYS 16 - HA GLU 111 far 0 100 0 - 9.7-11.7 Violated in 20 structures by 0.78 A. Peak 8241 from cnoeabs.peaks (3.99, 1.40, 40.94 ppm; 5.10 A increased from 4.30 A): 1 out of 4 assignments used, quality = 0.95: * HA GLU 111 + HB3 LEU 114 OK 95 100 95 100 4.6-5.2 8238/1.8=99...(7) HA LEU 14 - HB3 LEU 114 far 0 100 0 - 6.3-7.0 HA LYS 17 - HB3 LEU 114 far 0 99 0 - 6.4-6.9 HA GLU 112 - HB3 LEU 114 far 0 94 0 - 6.5-7.0 Violated in 3 structures by 0.01 A. Peak 8244 from cnoeabs.peaks (7.62, 4.00, 58.75 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 115 + HA GLU 112 OK 99 100 100 99 3.0-3.4 2196=78, 1958/8249=41...(14) HE ARG 105 - HA GLU 112 far 0 65 0 - 7.6-11.9 Violated in 0 structures by 0.00 A. Peak 8245 from cnoeabs.peaks (1.93, 4.00, 58.75 ppm; 3.67 A increased from 3.26 A): 2 out of 2 assignments used, quality = 0.99: * HB2 LYS 115 + HA GLU 112 OK 98 100 100 98 2.3-3.7 8246=70, 3.0/10462=46...(11) HB3 LYS 115 + HA GLU 112 OK 43 98 45 97 2.2-4.7 1.8/8246=51...(10) Violated in 0 structures by 0.00 A. Peak 8246 from cnoeabs.peaks (4.00, 1.93, 32.18 ppm; 3.67 A increased from 2.94 A): 2 out of 4 assignments used, quality = 0.99: * HA GLU 112 + HB2 LYS 115 OK 98 100 100 98 2.3-3.7 8245=70, 10462/3.0=45...(11) HA GLU 112 + HB3 LYS 115 OK 42 96 45 97 2.2-4.7 8245/1.8=51...(10) HA GLU 111 - HB2 LYS 115 far 0 94 0 - 5.5-7.2 HA GLU 111 - HB3 LYS 115 far 0 87 0 - 5.8-7.9 Violated in 0 structures by 0.00 A. Peak 8247 from cnoeabs.peaks (1.93, 4.00, 58.75 ppm; 3.67 A increased from 3.26 A): 2 out of 2 assignments used, quality = 0.98: HB2 LYS 115 + HA GLU 112 OK 96 98 100 98 2.3-3.7 8246=68, 3.0/10462=46...(11) * HB3 LYS 115 + HA GLU 112 OK 44 100 45 97 2.2-4.7 1.8/8246=51...(10) Violated in 0 structures by 0.00 A. Peak 8248 from cnoeabs.peaks (4.00, 1.93, 32.18 ppm; 3.70 A increased from 2.96 A): 2 out of 4 assignments used, quality = 0.96: HA GLU 112 + HB2 LYS 115 OK 94 96 100 98 2.3-3.7 8247=69, 10462/3.0=46...(11) * HA GLU 112 + HB3 LYS 115 OK 44 100 45 97 2.2-4.7 8245/1.8=52...(10) HA GLU 111 - HB2 LYS 115 far 0 87 0 - 5.5-7.2 HA GLU 111 - HB3 LYS 115 far 0 94 0 - 5.8-7.9 Violated in 0 structures by 0.00 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 3.5-4.5 2202=83, 1958/8244=78...(9) 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 3.3-3.9 1761/8252=84...(10) 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 2 assignments used, quality = 1.00: * HB ILE 116 + HA ALA 113 OK 100 100 100 100 2.8-3.5 8253=78, 11637/11606=61...(15) HB2 LEU 82 - HA ALA 113 far 0 94 0 - 8.9-9.2 Violated in 0 structures by 0.00 A. Peak 8253 from cnoeabs.peaks (3.80, 1.63, 36.32 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 113 + HB ILE 116 OK 100 100 100 100 2.8-3.5 8252=100, 11606/11637=61...(15) HA LYS 115 - HB ILE 116 far 0 100 0 - 5.8-5.9 Violated in 0 structures by 0.00 A. Peak 8254 from cnoeabs.peaks (8.12, 3.80, 55.38 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: H ALA 113 + HA ALA 113 OK 100 100 100 100 2.7-2.8 3.0=100 ! H VAL 117 - HA ALA 113 far 0 100 0 - 4.2-4.7 Violated in 0 structures by 0.00 A. Peak 8256 from cnoeabs.peaks (8.12, 3.71, 57.67 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 117 + HA LEU 114 OK 100 100 100 100 3.4-4.0 2206=100, 1768/8258=80...(6) H ALA 113 - HA LEU 114 far 0 100 0 - 5.3-5.4 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 3.1-3.6 8258=100, 2.1/10515=76...(7) HB2 GLU 13 - HA LEU 114 far 0 70 0 - 9.5-10.6 Violated in 0 structures by 0.00 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 3.1-3.6 8257=89, 10515/2.1=72...(7) Violated in 0 structures by 0.00 A. Peak 8259 from cnoeabs.peaks (8.03, 3.71, 57.67 ppm; 6.16 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 118 + HA LEU 114 OK 100 100 100 100 4.2-5.0 1960/2206=98...(5) H VAL 22 - HA LEU 114 far 0 90 0 - 6.6-7.4 H ASP 109 - HA LEU 114 far 0 92 0 - 9.8-10.4 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 = 0.98: * H ARG 118 + HA LYS 115 OK 98 100 100 98 3.1-3.5 2211=61, 1774/8264=57...(9) H VAL 22 - HA LYS 115 far 0 90 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 8262 from cnoeabs.peaks (1.80, 3.80, 59.88 ppm; 4.62 A increased from 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 118 + HA LYS 115 OK 100 100 100 100 4.2-4.4 1.8/8264=100, 8263=67...(7) HG2 ARG 105 - HA LYS 115 far 0 98 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 8263 from cnoeabs.peaks (3.80, 1.80, 29.70 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 115 + HB2 ARG 118 OK 100 100 100 100 4.2-4.4 8262=100, 8264/1.8=100...(7) HA ALA 113 - HB2 ARG 118 far 0 100 0 - 9.8-10.2 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 2 assignments used, quality = 0.90: * HB3 ARG 118 + HA LYS 115 OK 90 100 100 90 2.6-3.1 1774/8261=38...(7) HB2 ARG 105 - HA LYS 115 far 0 81 0 - 9.7-11.2 Violated in 0 structures by 0.00 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 2.6-3.1 8264=100, 8262/1.8=91...(7) HA ALA 113 - HB3 ARG 118 far 0 100 0 - 8.1-8.6 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 4.2-4.8 747/8261=78...(8) Violated in 1 structures by 0.00 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 3.5-3.9 2216=100, 1782/8271=82...(9) Violated in 0 structures by 0.00 A. Peak 8269 from cnoeabs.peaks (2.12, 3.46, 64.12 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 119 + HA ILE 116 OK 100 100 100 100 3.0-3.8 8270=97, 1781/2216=55...(10) HB3 GLU 119 - HA ILE 116 far 0 100 0 - 4.6-5.1 HB VAL 107 - HA ILE 116 far 0 100 0 - 5.9-6.6 HB2 GLU 21 - HA ILE 116 far 0 100 0 - 9.1-10.0 HG3 GLU 21 - HA ILE 116 far 0 84 0 - 9.4-11.2 HG3 GLN 83 - HA ILE 116 far 0 100 0 - 9.7-10.8 Violated in 1 structures by 0.00 A. Peak 8270 from cnoeabs.peaks (3.46, 2.12, 28.96 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 116 + HB2 GLU 119 OK 100 100 100 100 3.0-3.8 8269=100, 2216/1781=56...(10) HA ILE 116 - HB3 GLU 119 far 0 99 0 - 4.6-5.1 Violated in 1 structures by 0.00 A. Peak 8271 from cnoeabs.peaks (2.11, 3.46, 64.12 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: HB2 GLU 119 + HA ILE 116 OK 100 100 100 100 3.0-3.8 8272=97, 1782/2216=55...(10) ! HB3 GLU 119 - HA ILE 116 far 0 100 0 - 4.6-5.1 HB VAL 107 - HA ILE 116 far 0 100 0 - 5.9-6.6 HB2 GLU 21 - HA ILE 116 far 0 100 0 - 9.1-10.0 HG3 GLU 21 - HA ILE 116 far 0 92 0 - 9.4-11.2 HG3 GLN 83 - HA ILE 116 far 0 100 0 - 9.7-10.8 Violated in 1 structures by 0.00 A. Peak 8272 from cnoeabs.peaks (3.46, 2.11, 28.96 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.99: HA ILE 116 + HB2 GLU 119 OK 99 99 100 100 3.0-3.8 8271=100, 2216/1782=56...(10) ! HA ILE 116 - HB3 GLU 119 far 0 100 0 - 4.6-5.1 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 4.5-4.8 2222=100, 1962/2216=96...(7) H LYS 106 - HA ILE 116 far 0 61 0 - 7.9-8.6 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 3.8-4.6 2214=100, 747/3.6=99...(7) 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 1 assignment used, quality = 1.00: * H PHE 120 + HA VAL 117 OK 100 100 100 100 3.3-3.8 2221=100, 1787/8276=77...(12) 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 1 assignment used, quality = 0.96: * HB2 PHE 120 + HA VAL 117 OK 96 100 100 96 2.9-3.2 2.4/4720=52, 8277=33...(12) Violated in 1 structures by 0.00 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 2.9-3.2 8276=100, 4720/2.4=92...(12) Violated in 0 structures by 0.00 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 4.5-4.8 8279=100, 1.8/8276=100...(12) HG3 GLU 112 - HA VAL 117 far 0 99 0 - 8.2-11.8 HG2 GLU 112 - HA VAL 117 far 0 98 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 8279 from cnoeabs.peaks (3.26, 2.34, 36.75 ppm; 5.03 A increased from 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + HB3 PHE 120 OK 100 100 100 100 4.5-4.8 8276/1.8=100...(12) Violated in 0 structures by 0.00 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 3.9-4.5 2227=100, 763/8276=97...(8) 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 3.6-4.0 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 = 0.95: * HB2 MET 121 + HA ARG 118 OK 95 100 95 100 4.1-4.6 1.8/8285=88, 8284=79...(5) Violated in 2 structures by 0.01 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 4.1-4.6 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 2.6-3.1 8286=78, 7023/11516=66...(5) HG2 GLU 119 - HA ARG 118 far 0 100 0 - 5.2-5.9 HB3 PHE 79 - HA ARG 118 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 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 2.6-3.1 8285=100, 11516/7023=75...(5) Violated in 0 structures by 0.00 A. Peak 8289 from cnoeabs.peaks (8.05, 4.03, 59.53 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.99: * H GLN 122 + HA GLU 119 OK 99 100 100 99 3.5-3.7 2231=95, 4.0/8292=53...(8) H GLN 122 - HA LYS 123 far 0 60 0 - 5.1-5.4 H LEU 90 - HA GLU 92 far 0 53 0 - 6.8-7.1 H HIS 131 - HA LYS 123 far 0 57 0 - 9.1-16.0 Violated in 0 structures by 0.00 A. Peak 8290 from cnoeabs.peaks (2.24, 4.03, 59.53 ppm; 3.19 A): 1 out of 6 assignments used, quality = 0.74: * HB2 GLN 122 + HA GLU 119 OK 74 100 100 74 2.6-3.2 8293=40, 4.0/8289=30...(6) HB3 GLN 122 - HA GLU 119 far 5 100 5 - 3.3-4.8 HB2 GLN 122 - HA LYS 123 far 0 60 0 - 4.0-5.5 HB3 GLN 122 - HA LYS 123 far 0 60 0 - 4.2-5.6 HG2 GLU 103 - HA GLU 119 far 0 77 0 - 8.7-12.8 HG2 GLU 103 - HA LYS 123 far 0 39 0 - 9.4-11.6 Violated in 1 structures by 0.00 A. Peak 8291 from cnoeabs.peaks (4.03, 2.24, 28.02 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 119 + HB2 GLN 122 OK 100 100 100 100 2.6-3.2 8292=100, 8289/4.0=45...(5) HA GLU 119 + HB3 GLN 122 OK 43 100 45 97 3.3-4.8 8292/1.8=90, 8289/4.0=45...(5) HA LYS 123 - HB2 GLN 122 far 0 100 0 - 4.0-5.5 HA LYS 123 - HB3 GLN 122 far 0 100 0 - 4.2-5.6 HA PHE 120 - HB2 GLN 122 far 0 99 0 - 5.0-6.2 HA PHE 120 - HB3 GLN 122 far 0 99 0 - 6.2-7.4 HB3 SER 126 - HB3 GLN 122 far 0 100 0 - 6.8-10.7 HB2 SER 126 - HB3 GLN 122 far 0 99 0 - 7.4-9.7 HB2 SER 126 - HB2 GLN 122 far 0 99 0 - 7.6-9.6 HB3 SER 126 - HB2 GLN 122 far 0 100 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 8292 from cnoeabs.peaks (2.24, 4.03, 59.53 ppm; 3.19 A): 1 out of 6 assignments used, quality = 0.74: HB2 GLN 122 + HA GLU 119 OK 74 100 100 74 2.6-3.2 8293=40, 4.0/8289=30...(6) ! HB3 GLN 122 - HA GLU 119 far 5 100 5 - 3.3-4.8 HB2 GLN 122 - HA LYS 123 far 0 60 0 - 4.0-5.5 HB3 GLN 122 - HA LYS 123 far 0 60 0 - 4.2-5.6 HG2 GLU 103 - HA GLU 119 far 0 77 0 - 8.7-12.8 HG2 GLU 103 - HA LYS 123 far 0 39 0 - 9.4-11.6 Violated in 1 structures by 0.00 A. Peak 8293 from cnoeabs.peaks (4.03, 2.24, 28.02 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 119 + HB2 GLN 122 OK 100 100 100 100 2.6-3.2 8292=100, 8289/4.0=45...(5) * HA GLU 119 + HB3 GLN 122 OK 43 100 45 97 3.3-4.8 8292/1.8=90, 8289/4.0=45...(5) HA LYS 123 - HB2 GLN 122 far 0 100 0 - 4.0-5.5 HA LYS 123 - HB3 GLN 122 far 0 100 0 - 4.2-5.6 HA PHE 120 - HB2 GLN 122 far 0 99 0 - 5.0-6.2 HA PHE 120 - HB3 GLN 122 far 0 99 0 - 6.2-7.4 HB3 SER 126 - HB3 GLN 122 far 0 100 0 - 6.8-10.7 HB2 SER 126 - HB3 GLN 122 far 0 99 0 - 7.4-9.7 HB2 SER 126 - HB2 GLN 122 far 0 99 0 - 7.6-9.6 HB3 SER 126 - HB2 GLN 122 far 0 100 0 - 7.8-10.7 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 3.3-3.8 1811/8299=77...(8) Violated in 0 structures by 0.00 A. Peak 8297 from cnoeabs.peaks (1.93, 4.02, 56.87 ppm; 4.74 A increased from 4.21 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LYS 123 + HA PHE 120 OK 99 100 100 99 2.7-4.5 7084/7128=74...(7) HG2 MET 121 - HA PHE 120 far 0 70 0 - 6.3-7.6 HB2 LEU 127 - HA PHE 120 far 0 100 0 - 8.5-10.1 HB2 LEU 81 - HA PHE 120 far 0 77 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 8298 from cnoeabs.peaks (4.02, 1.93, 32.31 ppm; 2.88 A): 2 out of 14 assignments used, quality = 0.97: HA LYS 123 + HB2 LYS 123 OK 90 100 90 100 2.5-3.0 7069=100, 3.0/1810=34...(22) HA LYS 40 + HB3 LYS 40 OK 73 74 100 99 2.3-2.7 3.0=88, 3653/2.7=41...(15) ! HA PHE 120 - HB2 LYS 123 far 10 100 10 - 2.7-4.5 HA GLU 66 - HB2 LYS 65 far 0 99 0 - 3.8-4.1 HA LYS 40 - HB3 LYS 39 far 0 36 0 - 4.0-5.4 HA GLU 66 - HB3 LYS 65 far 0 99 0 - 4.4-5.4 HB2 SER 126 - HB2 LYS 123 far 0 100 0 - 4.5-6.7 HA LYS 40 - HB2 LYS 39 far 0 69 0 - 4.6-5.0 HA GLU 119 - HB2 LYS 123 far 0 99 0 - 5.4-8.0 HB3 SER 126 - HB2 LYS 123 far 0 96 0 - 5.6-7.2 HA GLU 119 - HB3 LYS 115 far 0 92 0 - 6.5-8.7 HA GLU 119 - HB2 LYS 115 far 0 85 0 - 7.2-8.6 HA GLU 66 - HB3 LYS 39 far 0 35 0 - 8.2-10.4 HA GLU 66 - HB2 LYS 39 far 0 67 0 - 8.5-9.5 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 = 0.94: * HB3 LYS 123 + HA PHE 120 OK 94 100 95 99 2.5-4.5 7130/7128=63...(7) HG2 MET 121 - HA PHE 120 far 0 100 0 - 6.3-7.6 HB2 LEU 127 - HA PHE 120 far 0 61 0 - 8.5-10.1 HB2 LEU 81 - HA PHE 120 far 0 99 0 - 9.0-9.5 Violated in 1 structures by 0.01 A. Peak 8300 from cnoeabs.peaks (4.02, 1.91, 32.31 ppm; 3.01 A increased from 2.84 A): 2 out of 10 assignments used, quality = 1.00: HA LYS 123 + HB3 LYS 123 OK 100 100 100 100 2.6-3.0 2.9=100 * HA PHE 120 + HB3 LYS 123 OK 78 100 90 87 2.5-4.5 8299=35, 7128/7130=30...(8) HA GLU 92 - HB2 LYS 96 far 0 35 0 - 4.6-7.4 HB2 SER 126 - HB3 LYS 123 far 0 100 0 - 4.9-6.4 HA GLU 119 - HB3 LYS 123 far 0 99 0 - 5.4-7.1 HA LYS 40 - HB2 LYS 44 far 0 72 0 - 5.5-7.2 HB3 SER 126 - HB3 LYS 123 far 0 96 0 - 6.0-8.2 HA LYS 40 - HB3 LYS 44 far 0 61 0 - 7.1-8.4 HA GLU 119 - HB2 LYS 115 far 0 53 0 - 7.2-8.6 HA3 GLY 75 - HB2 LYS 49 far 0 39 0 - 10.0-18.2 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 1 assignment used, quality = 1.00: * H ALA 124 + HA MET 121 OK 100 100 100 100 3.3-3.8 2241=100, 2.9/8304=98...(5) 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 2.5-3.0 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 2.5-3.0 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; 4.86 A increased from 4.57 A): 1 out of 1 assignment used, quality = 0.97: * H ALA 124 + HA GLN 122 OK 97 100 100 97 4.5-4.8 784/3.6=79, 1967/8308=62 Violated in 0 structures by 0.00 A. Peak 8308 from cnoeabs.peaks (7.95, 4.13, 58.74 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.84: * H GLY 125 + HA GLN 122 OK 84 100 100 84 3.4-3.8 1967/8307=51, 2246=46 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 = 0.62: * H SER 126 + HA LYS 123 OK 62 100 100 62 3.4-3.9 2250/3.6=45, 10639/2.9=30 HE21 GLN 62 - HA GLU 66 far 4 72 5 - 4.7-8.8 H SER 126 - HA GLU 119 far 0 60 0 - 9.0-9.9 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 3.5-4.1 10635=91, 800/2257=88...(8) 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 3.0-3.4 2257=100, 800/10635=77...(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 4 assignments used, quality = 1.00: * HB2 LEU 127 + HA ALA 124 OK 100 100 100 100 2.5-3.8 3.1/10653=71, 8320=64...(8) HB2 LYS 123 + HA ALA 124 OK 94 100 95 98 4.1-4.5 786/3.0=76, ~787=50...(7) HB3 LYS 123 + HA ALA 124 OK 41 61 90 75 4.2-4.6 ~786=51, 787/3.0=46 HG2 MET 121 - HA ALA 124 far 0 73 0 - 7.3-8.8 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 4 assignments used, quality = 0.92: * HA ALA 124 + HB2 LEU 127 OK 85 100 90 94 2.5-3.8 10653/3.1=50...(8) HA LEU 70 + HB2 LEU 70 OK 47 47 100 100 3.0-3.0 3.0=100 HA LEU 63 - HB2 LEU 70 far 0 66 0 - 8.3-8.9 HA GLN 122 - HB2 LEU 127 far 0 94 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 8321 from cnoeabs.peaks (1.61, 4.14, 54.65 ppm; 5.04 A increased from 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 127 + HA ALA 124 OK 100 100 100 100 3.9-5.0 8322=100, 3.1/10653=85...(8) HD3 LYS 77 - HA ALA 124 far 14 92 15 - 4.8-7.6 HD2 LYS 77 - HA ALA 124 far 0 90 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. Peak 8322 from cnoeabs.peaks (4.14, 1.61, 42.07 ppm; 4.99 A increased from 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 124 + HB3 LEU 127 OK 100 100 100 100 3.9-5.0 8321=97, 10653/3.1=83...(8) Violated in 1 structures by 0.00 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 3.3-3.9 2262=100, 804/2255=78...(6) H GLU 128 + HA3 GLY 125 OK 78 78 100 100 4.5-5.3 2262/1.8=100...(5) 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 2.7-4.5 1837/2262=78...(7) HB2 GLU 128 + HA3 GLY 125 OK 44 78 60 95 4.3-6.2 8327/1.8=54, ~8329=51...(7) HB3 LYS 123 - HA3 GLY 125 far 0 59 0 - 6.8-7.1 HG2 MET 121 - HA3 GLY 125 far 0 50 0 - 6.9-8.5 HG2 MET 121 - HA2 GLY 125 far 0 73 0 - 6.9-8.5 HB3 LYS 123 - HA2 GLY 125 far 0 84 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 8327 from cnoeabs.peaks (4.05, 1.90, 29.83 ppm; 4.02 A): 3 out of 5 assignments used, quality = 0.95: * HA2 GLY 125 + HB2 GLU 128 OK 87 100 95 92 2.7-4.5 2262/1837=56...(8) HA LYS 96 + HB2 ARG 95 OK 41 80 55 92 4.1-5.6 2.9/7789=51, ~7790=37...(10) HA GLU 92 + HB2 ARG 95 OK 28 54 75 69 3.4-4.9 11427/6041=48...(4) HA3 GLY 125 - HB2 GLU 128 far 0 90 0 - 4.3-6.2 HA GLU 87 - HB2 ARG 95 far 0 66 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 8328 from cnoeabs.peaks (1.95, 4.05, 46.29 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.99: * HB3 GLU 128 + HA2 GLY 125 OK 99 100 100 99 3.0-4.6 8329=82, 1838/2262=73...(5) HB3 GLU 128 + HA3 GLY 125 OK 26 78 35 97 4.5-6.3 8329/1.8=70, ~8326=44...(7) Violated in 0 structures by 0.00 A. Peak 8329 from cnoeabs.peaks (4.05, 1.95, 29.83 ppm; 4.79 A increased from 4.03 A): 2 out of 2 assignments used, quality = 0.97: * HA2 GLY 125 + HB3 GLU 128 OK 97 100 100 97 3.0-4.6 8328=68, 2262/1838=67...(5) HA3 GLY 125 + HB3 GLU 128 OK 21 90 25 94 4.5-6.3 1.8/8328=58, ~8326=40...(7) Violated in 0 structures by 0.00 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 3.9-5.0 804/3.6=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 95 3.4-3.9 3.6/10802=52...(6) Violated in 0 structures by 0.00 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 2.4-2.8 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 = 1.00: H ILE 54 + HB ILE 3 OK 100 100 100 100 4.4-5.0 10802=98, 3.6/9001=81...(7) Violated in 0 structures by 0.00 A. Peak 9004 from cnoeabs.peaks (4.69, 1.08, 17.85 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.97: HA LYS 53 + QG2 ILE 3 OK 97 100 100 97 4.2-4.8 9001/2.1=77, 3.6/9029=66...(4) HA TYR 102 - QG2 ILE 3 far 0 77 0 - 8.2-9.4 Violated in 0 structures by 0.00 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 3.4-4.1 2.1/9006=97, 10692=86...(10) HA MET 1 - QG2 ILE 3 far 0 57 0 - 7.1-8.3 HA GLN 122 - QG2 ILE 3 far 0 100 0 - 7.2-8.2 HA VAL 22 - QG2 ILE 3 far 0 98 0 - 8.1-9.4 HA3 GLY 26 - QG2 ILE 3 far 0 87 0 - 8.2-10.6 HA LEU 45 - QG2 ILE 3 far 0 92 0 - 10.0-11.0 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 1.9-2.1 10617=64, 9010/3.0=51...(13) HB2 LEU 6 - QG2 ILE 3 far 0 100 0 - 7.1-7.6 HG LEU 6 - QG2 ILE 3 far 0 92 0 - 9.1-9.6 HB3 ARG 30 - QG2 ILE 3 far 0 99 0 - 9.6-10.5 HG2 ARG 30 - QG2 ILE 3 far 0 84 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (0.84, 1.08, 17.85 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.98: HG13 ILE 5 + QG2 ILE 3 OK 98 99 100 99 3.0-3.6 2.1/9009=76...(10) QG2 ILE 5 - QG2 ILE 3 far 0 100 0 - 4.9-5.3 QG2 VAL 22 - QG2 ILE 3 far 0 84 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 9009 from cnoeabs.peaks (0.63, 1.08, 17.85 ppm; 4.08 A): 1 out of 6 assignments used, quality = 0.95: QD1 ILE 5 + QG2 ILE 3 OK 95 96 100 99 2.3-3.1 2.1/9007=67...(13) QG1 VAL 78 - QG2 ILE 3 far 0 70 0 - 4.4-5.3 QD1 LEU 4 - QG2 ILE 3 far 0 92 0 - 5.1-5.6 QG1 VAL 22 - QG2 ILE 3 far 0 98 0 - 6.4-7.4 QD1 ILE 54 - QG2 ILE 3 far 0 100 0 - 6.8-7.3 QD1 ILE 18 - QG2 ILE 3 far 0 61 0 - 9.7-10.2 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 1.8-2.2 10618=77, 9006/3.0=47...(13) HB2 LEU 6 - QD1 ILE 3 far 0 100 0 - 8.8-10.2 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 - 4.3-9.2 HG2 GLN 122 - QD1 ILE 3 far 0 97 0 - 8.2-9.6 Violated in 18 structures by 1.97 A. Peak 9013 from cnoeabs.peaks (2.60, 0.97, 13.48 ppm; 5.60 A increased from 4.72 A): 1 out of 2 assignments used, quality = 0.48: HE3 LYS 77 + QD1 ILE 3 OK 48 61 100 78 4.2-5.3 4.7/11086=50...(5) HG3 MET 1 - QD1 ILE 3 poor 19 97 20 - 5.1-8.9 Violated in 0 structures by 0.00 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 89 92 100 97 2.3-5.1 2.9/9028=68...(5) HA MET 121 + QD1 ILE 3 OK 69 84 95 86 4.9-6.0 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; 6.20 A increased from 5.67 A): 1 out of 6 assignments used, quality = 0.89: HB2 SER 126 + QD1 ILE 3 OK 89 100 100 89 5.8-6.2 10644=74, 4.0/10657=32...(4) HA LYS 123 - QD1 ILE 3 far 0 100 0 - 6.3-7.0 HA PHE 120 - QD1 ILE 3 far 0 99 0 - 6.8-7.3 HB3 SER 126 - QD1 ILE 3 far 0 99 0 - 6.8-7.4 HA3 GLY 75 - QD1 ILE 3 far 0 81 0 - 8.6-10.4 HA GLU 119 - QD1 ILE 3 far 0 100 0 - 9.6-10.3 Violated in 4 structures by 0.00 A. Peak 9016 from cnoeabs.peaks (4.14, 0.97, 13.48 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 124 + QD1 ILE 3 OK 100 100 100 100 2.3-2.9 2.1/9010=85, 10615=65...(15) HA GLN 122 - QD1 ILE 3 far 0 94 0 - 6.9-8.2 HA3 GLY 26 - QD1 ILE 3 far 0 65 0 - 8.9-11.1 HA VAL 22 - QD1 ILE 3 far 0 87 0 - 9.9-11.2 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 = 0.99: QE TYR 27 + QG2 ILE 3 OK 99 99 100 99 2.0-3.5 2.2/9020=53...(10) 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 3.2-3.5 4662=99, 2.2/4658=81...(14) QE TYR 76 - QG2 ILE 3 far 0 100 0 - 7.6-8.6 QE TYR 102 - QG2 ILE 3 far 0 100 0 - 7.7-9.5 Violated in 0 structures by 0.00 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 3.5-4.6 2.2/4658=99, 3.8/4662=79...(11) QD TYR 102 - QG2 ILE 3 far 0 98 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 9020 from cnoeabs.peaks (6.80, 1.08, 17.85 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.92: QD TYR 27 + QG2 ILE 3 OK 92 92 100 100 3.6-5.0 2.2/9017=90...(9) QD PHE 120 - QG2 ILE 3 far 0 96 0 - 6.1-6.6 Violated in 1 structures by 0.00 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 2.0-2.8 4658=98, 2.2/4662=63...(11) Violated in 0 structures by 0.00 A. Peak 9023 from cnoeabs.peaks (7.11, 1.56, 27.38 ppm; 5.78 A increased from 5.44 A): 1 out of 3 assignments used, quality = 0.69: QE PHE 79 + HG12 ILE 3 OK 69 70 100 100 4.2-5.8 9024/1.8=73, ~4662=70...(8) QD PHE 51 - HG12 ILE 3 far 5 92 5 - 4.4-9.5 QE PHE 79 - HG LEU 55 far 0 64 0 - 8.5-9.1 Violated in 3 structures by 0.00 A. Peak 9024 from cnoeabs.peaks (7.11, 1.22, 27.38 ppm; 6.15 A increased from 5.47 A): 1 out of 2 assignments used, quality = 0.87: QE PHE 79 + HG13 ILE 3 OK 87 87 100 100 4.4-5.8 9023/1.8=88, 4659/2.1=82...(10) QD PHE 51 - HG13 ILE 3 lone 1 77 40 2 6.0-8.2 Violated in 0 structures by 0.00 A. Peak 9025 from cnoeabs.peaks (6.71, 0.97, 13.48 ppm; 5.57 A): 1 out of 3 assignments used, quality = 0.94: QD PHE 79 + QD1 ILE 3 OK 94 94 100 100 4.4-5.5 2.2/9026=100...(9) QE TYR 76 - QD1 ILE 3 far 0 99 0 - 7.1-8.4 QE TYR 102 - QD1 ILE 3 far 0 99 0 - 8.2-10.8 Violated in 0 structures by 0.00 A. Peak 9026 from cnoeabs.peaks (7.09, 0.97, 13.48 ppm; 3.78 A increased from 3.56 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 79 + QD1 ILE 3 OK 99 99 100 100 2.7-3.6 4659=94, 4658/3.0=61...(13) 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 3.8-4.5 2.2/9026=99...(13) QD TYR 102 - QD1 ILE 3 far 0 70 0 - 7.7-10.0 HE22 GLN 28 - QD1 ILE 3 far 0 87 0 - 9.5-14.5 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 = 0.96: H GLU 128 + QD1 ILE 3 OK 96 96 100 100 2.7-4.4 4.2/11522=86...(11) H HIS 131 - QD1 ILE 3 far 0 70 0 - 8.2-11.0 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 1 assignment used, quality = 0.72: H ILE 54 + QG2 ILE 3 OK 72 73 100 97 4.6-5.0 3.6/9004=64...(7) Violated in 0 structures by 0.00 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 3.7-3.9 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 3.8-4.3 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 2.7-4.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 9035 from cnoeabs.peaks (6.84, 1.44, 45.31 ppm; 5.91 A increased from 4.98 A): 1 out of 2 assignments used, quality = 0.90: QD TYR 76 + HB2 LEU 4 OK 90 90 100 100 5.3-5.9 4617/3.1=85, 9039/3.1=81...(18) QD TYR 76 - HB3 LEU 4 far 0 90 0 - 6.0-6.4 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 3.7-4.2 4617/2.1=98, 4612=97...(17) Violated in 0 structures by 0.00 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 2.4-2.9 4617=65, 9039/2.1=58...(15) 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 3.8-4.4 2.2/9037=90, ~9039=55...(13) QE TYR 102 - QD1 LEU 4 far 0 77 0 - 6.2-7.3 QD PHE 79 - QD1 LEU 4 far 0 61 0 - 6.6-7.1 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 1 assignment used, quality = 1.00: QD TYR 76 + QD2 LEU 4 OK 100 100 100 100 4.0-4.3 4617/2.1=89, 4612/2.1=69...(14) Violated in 3 structures by 0.00 A. Peak 9040 from cnoeabs.peaks (6.72, 0.68, 25.98 ppm; 5.32 A increased from 5.01 A): 1 out of 4 assignments used, quality = 1.00: QE TYR 76 + QD2 LEU 4 OK 100 100 100 100 4.9-5.2 2.2/9039=94, ~4617=80...(13) QD PHE 79 - QD2 LEU 4 far 0 100 0 - 6.5-7.0 QD PHE 79 - QD1 LEU 55 far 0 55 0 - 6.6-7.4 QE TYR 102 - QD2 LEU 4 far 0 100 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 9042 from cnoeabs.peaks (5.15, 1.44, 45.31 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.77: HA VAL 78 + HB2 LEU 4 OK 77 77 100 100 3.7-4.2 3.2/11529=88...(10) ! HA VAL 78 - HB3 LEU 4 far 4 77 5 - 5.2-5.6 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 99 100 100 4.3-4.7 ~9=58, ~7313=43...(14) HA ILE 5 + HB3 LEU 4 OK 99 99 100 99 4.9-5.2 ~9=58, ~7313=43...(11) HA ILE 3 + HB2 LEU 4 OK 88 90 100 98 4.9-5.0 2/3.8=83, 10728/3.1=60...(6) HA ILE 3 + HB3 LEU 4 OK 83 90 95 97 5.5-5.7 2/3.8=83, 10728/3.1=60...(5) HA ILE 54 + HB3 LEU 4 OK 61 94 65 100 5.3-5.8 3.0/11328=85, ~10734=56...(14) HA ILE 54 - HB2 LEU 4 far 0 94 0 - 7.0-7.4 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 3.3-4.1 2.5/9037=82...(15) Violated in 0 structures by 0.00 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 3.2-3.6 10662=100, 4/2.9=99...(12) HG2 LYS 53 + HA LEU 4 OK 45 87 70 74 4.9-8.0 5.0/9485=74 HG2 LYS 2 - HA LEU 4 lone 1 97 35 2 5.3-8.5 Violated in 0 structures by 0.00 A. Peak 9047 from cnoeabs.peaks (1.68, 5.46, 53.34 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.99: HB ILE 54 + HA LEU 4 OK 99 99 100 100 4.0-4.6 9486=90, 11328/3.0=83...(8) HB ILE 56 - HA LEU 4 far 0 87 0 - 5.9-6.9 HG12 ILE 71 - HA LEU 4 far 0 70 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 9048 from cnoeabs.peaks (7.12, 0.84, 17.12 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.61: QE PHE 120 + QG2 ILE 5 OK 61 61 100 100 4.0-4.5 2.2/4707=97...(13) Violated in 0 structures by 0.00 A. Peak 9049 from cnoeabs.peaks (6.78, 0.84, 17.12 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.84: QD PHE 120 + QG2 ILE 5 OK 84 84 100 100 2.7-3.2 4707=74, 9054/3.0=55...(17) QD TYR 27 - QG2 ILE 5 far 0 90 0 - 4.6-5.6 QD TYR 27 - QG2 ILE 15 far 0 81 0 - 9.5-10.6 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 3.6-4.1 2.4/9905=81, 9055/3.0=78...(22) QE TYR 102 - QG2 ILE 5 far 0 92 0 - 8.9-9.7 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 1 assignment used, quality = 1.00: QD PHE 79 + HG12 ILE 5 OK 100 100 100 100 4.7-4.8 4645=99, 9053/1.8=95...(18) 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 2.4-4.3 9229/2.1=97, 4596/1.8=96...(10) 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 3.9-4.5 4645/1.8=80, 4647/3.2=79...(19) Violated in 0 structures by 0.00 A. Peak 9054 from cnoeabs.peaks (6.77, 0.62, 13.41 ppm; 3.90 A): 1 out of 6 assignments used, quality = 0.65: QD PHE 120 + QD1 ILE 5 OK 65 65 100 100 3.1-3.7 9049/3.0=59...(16) QD TYR 27 - QD1 ILE 5 far 0 73 0 - 4.5-4.8 QD TYR 27 - QD1 ILE 54 far 0 50 0 - 5.5-6.0 QD PHE 120 - QD1 ILE 18 far 0 44 0 - 6.3-6.8 HD22 ASN 59 - QD1 ILE 18 far 0 50 0 - 7.1-11.3 QD TYR 27 - QD1 ILE 18 far 0 50 0 - 8.1-9.1 Violated in 0 structures by 0.00 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 1.9-2.1 2.4/10740=77...(23) QE TYR 76 - QD1 ILE 54 far 0 69 0 - 7.8-8.4 QE TYR 102 - QD1 ILE 5 far 0 92 0 - 8.1-9.2 QD PHE 79 - QD1 ILE 18 far 0 56 0 - 9.1-9.5 QE TYR 76 - QD1 ILE 5 far 0 94 0 - 9.8-10.4 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 = 0.89: QE TYR 27 + QD1 ILE 5 OK 89 90 100 100 3.2-3.8 4598=76, 4596/2.1=64...(11) QE TYR 27 - QD1 ILE 54 far 0 64 0 - 6.6-7.2 QE TYR 27 - QD1 ILE 18 far 0 64 0 - 8.8-9.9 Violated in 0 structures by 0.00 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 3.0-3.6 9501=100, 4.0/10939=66...(6) 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 4.5-4.9 9501/2.1=93...(5) HA LEU 55 - QG2 ILE 15 far 0 92 0 - 8.7-9.4 Violated in 0 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 99 5.0-5.6 9501/3.2=93, 9525/5.0=72 HA LEU 55 + QD1 ILE 54 OK 75 75 100 100 5.7-5.9 3.0/330=84, ~327=72...(5) HA LEU 55 - QD1 ILE 18 far 0 75 0 - 8.2-8.7 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 4 assignments used, quality = 0.59: HA LEU 14 + QD1 ILE 18 OK 59 62 100 96 3.6-3.9 2641/11652=61...(7) HA LYS 17 - QD1 ILE 18 far 0 41 0 - 6.4-6.6 HA GLU 111 - QD1 ILE 18 far 0 53 0 - 6.5-7.0 HA GLU 21 - QD1 ILE 18 far 0 66 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 9064 from cnoeabs.peaks (4.13, 0.62, 13.41 ppm; 5.98 A increased from 5.63 A): 1 out of 9 assignments used, quality = 0.84: HA ALA 124 + QD1 ILE 5 OK 84 84 100 100 5.3-5.9 2.1/10620=99...(5) HA LEU 45 - QD1 ILE 54 poor 17 47 35 - 4.9-6.8 HA3 GLY 26 - QD1 ILE 54 far 0 75 0 - 7.0-8.2 HA GLN 122 - QD1 ILE 5 far 0 99 0 - 7.1-8.0 HA VAL 22 - QD1 ILE 5 far 0 100 0 - 7.1-8.0 HA VAL 22 - QD1 ILE 18 far 0 78 0 - 7.2-7.7 HA MET 1 - QD1 ILE 54 far 0 59 0 - 9.7-10.9 HA VAL 22 - QD1 ILE 54 far 0 78 0 - 9.8-10.4 HA3 GLY 26 - QD1 ILE 5 far 0 99 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9067 from cnoeabs.peaks (5.54, 0.71, 25.51 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.95: HA LEU 80 + QD1 LEU 6 OK 95 99 100 96 3.0-3.6 504/1540=63...(6) Violated in 0 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 - 8.2-8.9 HD22 ASN 33 - QD1 LEU 6 far 0 100 0 - 9.6-12.2 Violated in 20 structures by 2.57 A. Peak 9069 from cnoeabs.peaks (7.12, 0.71, 25.51 ppm; 5.74 A increased from 4.83 A): 1 out of 2 assignments used, quality = 0.58: QE PHE 93 + QD1 LEU 6 OK 58 84 100 69 5.3-5.5 4674/10965=48...(3) QE PHE 120 - QD1 LEU 6 far 0 81 0 - 7.0-7.5 Violated in 0 structures by 0.00 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 3.8-4.1 9535=89, 9530/23=56...(4) Violated in 0 structures by 0.00 A. Peak 9073 from cnoeabs.peaks (0.86, 1.89, 40.15 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: QG2 THR 9 + HB ILE 7 OK 99 100 100 99 3.8-4.1 11583/2.1=92, 9115=73...(6) HG13 ILE 57 + HB ILE 7 OK 46 100 100 46 3.1-3.8 4.2/9080=33...(4) QG2 VAL 117 - HB ILE 7 far 0 99 0 - 4.2-4.5 QG2 ILE 15 - HB ILE 7 far 0 81 0 - 6.0-6.8 QG2 VAL 22 - HB ILE 7 far 0 97 0 - 6.2-7.5 QD1 LEU 14 - HB ILE 7 far 0 100 0 - 6.7-7.2 HG13 ILE 5 - HB ILE 7 far 0 77 0 - 7.9-8.1 QG2 VAL 107 - HB ILE 7 far 0 97 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 9074 from cnoeabs.peaks (1.35, 0.77, 14.16 ppm; 4.70 A increased from 3.76 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 81 + QD1 ILE 7 OK 98 98 100 100 4.2-4.5 11623/2.1=73...(13) HG LEU 81 + QD1 ILE 7 OK 94 99 95 100 4.5-4.8 ~11389=69...(13) Violated in 0 structures by 0.00 A. Peak 9075 from cnoeabs.peaks (1.79, 0.77, 14.16 ppm; 4.51 A): 1 out of 8 assignments used, quality = 0.55: HG12 ILE 5 + QD1 ILE 7 OK 55 70 100 79 4.0-4.3 ~10942=45, ~10941=39 HG2 ARG 105 - QD1 ILE 7 far 0 77 0 - 7.9-8.8 HB2 LYS 19 - QD1 ILE 7 far 0 100 0 - 8.1-8.7 HB2 ARG 118 - QD1 ILE 7 far 0 94 0 - 8.2-8.8 HB2 LEU 64 - QD1 ILE 7 far 0 100 0 - 8.6-9.0 HB ILE 3 - QD1 ILE 7 far 0 73 0 - 9.4-9.8 HB3 GLN 28 - QD1 ILE 7 far 0 97 0 - 9.7-10.2 HB VAL 32 - QD1 ILE 7 far 0 81 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 9076 from cnoeabs.peaks (2.06, 0.77, 14.16 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.94: HB VAL 117 + QD1 ILE 7 OK 94 94 100 100 3.9-4.2 2.1/11584=100...(5) HB3 PHE 79 - QD1 ILE 7 poor 12 61 20 - 5.2-5.5 HB3 MET 67 - QD1 ILE 7 far 0 97 0 - 9.4-9.8 HB2 GLN 28 - QD1 ILE 7 far 0 98 0 - 9.5-11.0 Violated in 0 structures by 0.00 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 3.4-3.9 3.2/11584=100...(7) Violated in 0 structures by 0.00 A. Peak 9079 from cnoeabs.peaks (4.93, 5.18, 58.22 ppm; 5.60 A): 1 out of 3 assignments used, quality = 0.43: HA LEU 82 + HA ILE 7 OK 43 65 100 66 4.4-4.7 9094/30=58...(3) HA ILE 57 - HA ILE 7 poor 17 70 35 69 5.4-6.1 9078/3.0=60, 9080/3.0=21 HA ARG 105 - HA ILE 7 far 0 81 0 - 9.2-9.7 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 = 0.86: HA ILE 57 + HB ILE 7 OK 86 99 100 87 3.7-4.2 9078/1051=62...(3) HA LEU 82 - HB ILE 7 far 0 100 0 - 6.7-7.1 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 3.4-3.6 2.1/11583=100, 9108=98...(7) Violated in 0 structures by 0.00 A. Peak 9083 from cnoeabs.peaks (6.79, 0.77, 14.16 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 120 + QD1 ILE 7 OK 99 100 100 99 3.6-4.2 2.2/9084=84...(5) QD TYR 27 - QD1 ILE 7 far 5 99 5 - 5.3-6.6 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 1 assignment used, quality = 0.73: QE PHE 120 + QD1 ILE 7 OK 73 81 100 91 4.2-5.0 2.2/9083=67...(6) Violated in 3 structures by 0.00 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 2.5-2.7 9951=100, 509/2492=80...(11) Violated in 0 structures by 0.00 A. Peak 9087 from cnoeabs.peaks (9.07, 0.77, 14.16 ppm; 5.46 A increased from 4.60 A): 1 out of 2 assignments used, quality = 0.96: H LEU 81 + QD1 ILE 7 OK 96 99 100 97 5.1-5.2 9951/2522=79...(5) H LEU 4 - QD1 ILE 7 far 0 84 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 9088 from cnoeabs.peaks (8.80, 0.74, 16.61 ppm; 5.78 A): 1 out of 4 assignments used, quality = 0.89: H SER 58 + QG2 ILE 7 OK 89 96 100 93 4.9-5.5 9594/2.1=83, 9091/9100=61 H ILE 18 - QG2 ILE 7 far 0 70 0 - 6.1-6.5 H ASN 59 - QG2 ILE 7 far 0 96 0 - 7.6-8.3 H LYS 106 - QG2 ILE 7 far 0 99 0 - 8.5-8.9 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 2 assignments used, quality = 1.00: H SER 58 + HB ILE 7 OK 100 100 100 100 4.7-5.3 346/9080=87, 9594=82...(4) H ASN 59 - HB ILE 7 far 0 70 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 9091 from cnoeabs.peaks (8.81, 5.90, 51.10 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.99: H SER 58 + HA ASN 8 OK 99 100 100 100 3.2-3.8 9589=98, 9127/37=61...(5) H ASN 59 - HA ASN 8 far 0 84 0 - 5.2-6.0 Violated in 0 structures by 0.00 A. Peak 9092 from cnoeabs.peaks (8.44, 2.27, 42.58 ppm; 6.20 A): 1 out of 4 assignments used, quality = 1.00: H GLN 83 + HB3 ASN 8 OK 100 100 100 100 5.2-5.8 10003/1.8=100...(5) H ASN 10 - HB3 ASN 8 far 0 100 0 - 7.4-7.6 H GLN 62 - HB3 ASN 8 far 0 99 0 - 7.4-8.6 H VAL 32 - HB3 ASN 8 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 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 4.0-4.9 10751/1.8=91...(5) HA ILE 57 - HB3 ASN 8 far 0 92 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 9099 from cnoeabs.peaks (0.82, 5.90, 51.10 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 64 + HA ASN 8 OK 98 99 100 99 3.7-4.1 11688=76, 10448/3.0=50...(9) QD2 LEU 82 - HA ASN 8 far 0 97 0 - 4.3-4.8 QG1 VAL 29 - HA ASN 8 far 0 65 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9100 from cnoeabs.peaks (0.74, 5.90, 51.10 ppm; 4.99 A): 1 out of 7 assignments used, quality = 0.95: QG2 ILE 7 + HA ASN 8 OK 95 96 100 99 3.7-3.9 32/3.0=88, 9117/9123=47...(7) QD2 LEU 6 - HA ASN 8 far 5 100 5 - 5.1-6.0 QD2 LEU 55 - HA ASN 8 far 0 100 0 - 6.8-7.3 QD1 LEU 63 - HA ASN 8 far 0 99 0 - 7.2-7.9 QG2 ILE 18 - HA ASN 8 far 0 65 0 - 7.5-8.1 QG1 VAL 117 - HA ASN 8 far 0 77 0 - 8.9-9.7 HG13 ILE 18 - HA ASN 8 far 0 97 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9101 from cnoeabs.peaks (0.79, 2.89, 42.58 ppm; 4.36 A increased from 3.67 A): 1 out of 5 assignments used, quality = 0.25: QD1 LEU 82 + HB2 ASN 8 OK 25 84 30 98 4.4-4.9 2.1/9971=86, ~9970=58...(5) QD1 LEU 80 - HB2 ASN 8 lone 7 73 100 9 3.5-4.4 5557/10751=8 QD2 LEU 64 - HB2 ASN 8 far 5 96 5 - 4.4-5.1 QD2 LEU 80 - HB2 ASN 8 far 0 77 0 - 5.2-6.1 QD1 LEU 81 - HB2 ASN 8 far 0 100 0 - 6.3-6.9 Violated in 19 structures by 0.22 A. Peak 9103 from cnoeabs.peaks (1.62, 2.27, 42.58 ppm; 6.09 A): 2 out of 4 assignments used, quality = 0.94: HB3 LEU 64 + HB3 ASN 8 OK 84 84 100 100 3.9-4.5 3.1/9104=99...(5) HG LEU 82 + HB3 ASN 8 OK 65 65 100 100 4.3-5.5 ~9971=94, 4.3/9095=72...(6) HB2 LEU 82 - HB3 ASN 8 far 0 99 0 - 6.3-7.3 HG LEU 63 - HB3 ASN 8 far 0 99 0 - 8.7-9.9 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 96 1.9-2.2 10448/1.8=60, 10449=48...(8) QD1 LEU 81 - HB3 ASN 8 far 0 81 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 9108 from cnoeabs.peaks (0.74, 4.32, 67.77 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.98: QG2 ILE 7 + HB THR 9 OK 98 100 100 98 3.4-3.6 11583/2.1=88, 9082=42...(7) HG13 ILE 18 - HB THR 9 far 0 84 0 - 7.1-7.7 QD2 LEU 55 - HB THR 9 far 0 98 0 - 8.0-8.5 QD2 LEU 6 - HB THR 9 far 0 97 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 9109 from cnoeabs.peaks (1.43, 4.32, 67.77 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.98: HB3 GLN 83 + HB THR 9 OK 98 98 100 100 3.2-3.4 1.8/9110=83...(10) QB ALA 113 - HB THR 9 lone 3 73 100 3 4.0-4.4 10755/2.1=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 2.3-2.8 9995=82, 1.8/9109=69...(10) Violated in 0 structures by 0.00 A. Peak 9115 from cnoeabs.peaks (1.89, 0.86, 19.21 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: HB ILE 7 + QG2 THR 9 OK 100 100 100 100 3.8-4.1 2.1/11583=98, 9073=68...(6) HB2 LYS 16 - QG2 THR 9 far 0 84 0 - 7.4-8.7 HB3 LYS 16 - QG2 THR 9 far 0 87 0 - 7.7-8.3 QE MET 67 - QG2 THR 9 far 0 84 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 9116 from cnoeabs.peaks (1.72, 0.86, 19.21 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.82: HG12 ILE 15 + QG2 THR 9 OK 82 97 100 84 2.5-3.8 1.8/9118=50...(4) HB3 LEU 82 - QG2 THR 9 far 0 70 0 - 7.1-7.6 HB2 LEU 114 - QG2 THR 9 far 0 73 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 9117 from cnoeabs.peaks (0.73, 0.86, 19.21 ppm; 3.03 A): 1 out of 8 assignments used, quality = 0.79: QG2 ILE 7 + QG2 THR 9 OK 79 84 100 94 2.0-2.3 11583=78, 9108/2.1=34...(7) QG2 ILE 18 - QG2 THR 9 far 0 84 0 - 4.5-5.1 HG13 ILE 18 - QG2 THR 9 far 0 100 0 - 5.5-5.9 QD2 LEU 55 - QG2 THR 9 far 0 99 0 - 5.5-5.9 QD1 LEU 6 - QG2 THR 9 far 0 73 0 - 5.8-6.0 QD2 LEU 6 - QG2 THR 9 far 0 99 0 - 6.4-7.2 QG1 VAL 117 - QG2 THR 9 far 0 92 0 - 6.4-7.2 QD1 LEU 63 - QG2 THR 9 far 0 92 0 - 7.7-8.4 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 = 0.87: HG13 ILE 15 + QG2 THR 9 OK 76 96 90 89 2.3-4.1 1.8/9116=69...(5) QD1 ILE 18 + QG2 THR 9 OK 44 77 100 57 2.9-3.3 11651/10756=29...(5) QG1 VAL 22 - QG2 THR 9 far 0 92 0 - 6.8-7.1 QD1 ILE 5 - QG2 THR 9 far 0 99 0 - 8.8-9.2 QG1 VAL 78 - QG2 THR 9 far 0 84 0 - 9.1-9.5 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 2.1-2.6 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 4.7-4.8 3.6/9126=81, ~44=58...(7) HA ASN 33 - QG2 THR 9 far 0 77 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 9123 from cnoeabs.peaks (5.89, 0.86, 19.21 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.86: HA ASN 8 + QG2 THR 9 OK 86 87 100 98 3.4-3.5 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 1.9-3.0 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 = 0.98: H ILE 15 + QG2 THR 9 OK 98 100 100 99 3.3-3.8 1099/9116=69...(7) H GLU 112 - QG2 THR 9 far 0 100 0 - 9.1-9.9 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 3.8-3.8 9143=94, 9132/3.0=69...(8) H ASP 31 - QG2 THR 9 far 0 73 0 - 9.7-10.5 Violated in 0 structures by 0.00 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 2.4-3.2 9132/1074=90...(6) 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 3.1-4.3 9133/1.8=87...(6) Violated in 0 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 2.6-4.2 9136/1.8=91, 9158=89...(9) H LYS 17 - HB3 ASN 11 far 0 99 0 - 7.2-9.1 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 2.4-3.4 9159=82, 9158/1.8=70...(10) H LYS 17 - HB2 ASN 11 far 0 99 0 - 7.1-8.2 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 4.3-4.7 1.8/9138=66, 3.1/9140=65...(19) HB ILE 18 - HB2 ASN 11 far 0 99 0 - 8.3-9.2 Violated in 2 structures by 0.00 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 2.5-3.1 1.8/9137=92, 3.1/9140=77...(19) 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 4.3-4.8 2.1/9140=78, 3.1/9137=65...(18) QG2 THR 9 + HB2 ASN 11 OK 99 100 100 99 4.6-4.7 9143/1074=74...(9) QG2 VAL 107 - HB2 ASN 11 far 0 97 0 - 7.0-7.9 QG2 ILE 15 - HB2 ASN 11 far 0 81 0 - 7.1-7.7 QG2 VAL 117 - HB2 ASN 11 far 0 99 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 9140 from cnoeabs.peaks (0.75, 3.03, 38.35 ppm; 4.66 A): 1 out of 5 assignments used, quality = 0.90: QD2 LEU 14 + HB2 ASN 11 OK 90 90 100 100 1.9-2.3 9148/1.8=78, 9170=70...(22) QD1 ILE 15 - HB2 ASN 11 far 4 87 5 - 4.6-5.9 QG1 VAL 107 - HB2 ASN 11 far 0 90 0 - 6.7-7.5 QG2 ILE 7 - HB2 ASN 11 far 0 96 0 - 7.1-7.4 QD1 ILE 7 - HB2 ASN 11 far 0 77 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 9145 from cnoeabs.peaks (1.81, 2.74, 38.35 ppm; 5.86 A increased from 4.93 A): 1 out of 2 assignments used, quality = 0.87: HB2 LEU 14 + HB3 ASN 11 OK 87 87 100 100 5.1-5.6 9137/1.8=94, 3.1/9148=87...(19) HB ILE 18 - HB3 ASN 11 far 0 92 0 - 9.0-10.2 Violated in 0 structures by 0.00 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 3.4-4.0 9138/1.8=88, 3.1/9148=85...(19) Violated in 0 structures by 0.00 A. Peak 9147 from cnoeabs.peaks (0.86, 2.74, 38.35 ppm; 5.44 A increased from 4.84 A): 2 out of 5 assignments used, quality = 1.00: QG2 THR 9 + HB3 ASN 11 OK 99 100 100 99 5.3-5.5 9143/1075=82...(6) QD1 LEU 14 + HB3 ASN 11 OK 95 100 95 100 4.8-5.6 2.1/9148=92, ~9140=72...(19) QG2 ILE 15 - HB3 ASN 11 far 0 81 0 - 7.4-8.4 QG2 VAL 107 - HB3 ASN 11 far 0 97 0 - 7.6-8.7 QG2 VAL 117 - HB3 ASN 11 far 0 99 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9148 from cnoeabs.peaks (0.75, 2.74, 38.35 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.90: QD2 LEU 14 + HB3 ASN 11 OK 90 90 100 100 2.2-2.9 9140/1.8=80...(21) QD1 ILE 15 - HB3 ASN 11 far 0 87 0 - 5.1-6.4 QG1 VAL 107 - HB3 ASN 11 far 0 90 0 - 7.0-8.6 QG2 ILE 7 - HB3 ASN 11 far 0 96 0 - 7.7-8.3 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 1.9-3.3 9174=81, 3.2/7965=52...(12) QD2 LEU 14 - HA ASP 12 far 0 90 0 - 5.4-6.0 QG2 ILE 7 - HA ASP 12 far 0 96 0 - 7.8-8.4 QD2 LEU 55 - HA ASP 12 far 0 73 0 - 9.5-10.0 QD1 ILE 7 - HA ASP 12 far 0 77 0 - 9.7-10.2 Violated in 0 structures by 0.00 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 2.4-4.1 2.1/9154=97, 2.9/7965=91...(11) Violated in 0 structures by 0.00 A. Peak 9156 from cnoeabs.peaks (0.84, 4.27, 57.61 ppm; 4.29 A increased from 4.04 A): 1 out of 2 assignments used, quality = 0.96: QG2 ILE 15 + HA ASP 12 OK 96 96 100 100 4.1-4.3 2.1/7965=93, 3.0/9154=78...(11) QG2 ILE 57 - HA ASP 12 far 0 100 0 - 5.3-5.8 Violated in 2 structures by 0.00 A. Peak 9163 from cnoeabs.peaks (1.72, 3.98, 57.26 ppm; 5.28 A increased from 4.45 A): 1 out of 2 assignments used, quality = 0.93: HG12 ILE 15 + HA LEU 14 OK 93 97 100 96 5.1-5.3 1099/3.6=85, ~9160=47, ~9165=46 HB2 LEU 114 - HA LEU 14 far 0 73 0 - 6.9-7.6 Violated in 1 structures by 0.00 A. Peak 9164 from cnoeabs.peaks (0.63, 3.98, 57.26 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.77: QD1 ILE 18 + HA LEU 14 OK 77 77 100 100 3.6-3.9 11652/2665=89, 9063=81...(7) HG13 ILE 15 - HA LEU 14 far 0 96 0 - 5.9-6.9 QG1 VAL 22 - HA LEU 14 far 0 92 0 - 7.5-8.3 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 = 0.89: HG13 ILE 15 + HB2 LEU 14 OK 89 100 90 99 4.6-6.0 1100/70=92, 9160/1090=66...(4) QG1 VAL 22 - HB2 LEU 14 far 0 100 0 - 7.4-8.0 Violated in 2 structures by 0.01 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 4.3-4.7 9137=86, 9170/3.1=74...(19) HB2 ASN 59 - HB2 LEU 14 far 0 92 0 - 8.8-10.9 Violated in 0 structures by 0.00 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 2.5-3.1 9137/1.8=95, 9140/3.1=81...(19) 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 = 1.00: HA ASP 110 + QD1 LEU 14 OK 100 100 100 100 1.9-2.8 10371=99, 10372/2.1=67...(12) HA LYS 20 - QD1 LEU 14 far 0 99 0 - 9.6-9.9 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 1.9-2.7 10372=99, 10371/2.1=89...(14) 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 1.9-2.3 9140=76, 1.8/9148=70...(22) HB2 ASN 59 - QD2 LEU 14 far 0 92 0 - 8.8-10.5 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 = 0.79: H ASN 11 + QD1 ILE 15 OK 79 100 100 79 3.8-4.9 3.6/9175=59, 4.6/9153=48 H ASP 31 - QD1 ILE 15 far 0 92 0 - 7.8-9.0 Violated in 0 structures by 0.00 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 4.0-4.7 3.0/9174=99, 9153=89...(12) 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 1.9-3.3 9154=80, 7965/3.2=51...(12) Violated in 0 structures by 0.00 A. Peak 9175 from cnoeabs.peaks (4.96, 0.76, 13.07 ppm; 5.12 A increased from 4.31 A): 1 out of 1 assignment used, quality = 0.69: HA ASN 10 + QD1 ILE 15 OK 69 90 100 78 4.6-4.9 3.6/9171=64...(3) Violated in 0 structures by 0.00 A. Peak 9176 from cnoeabs.peaks (6.74, 0.76, 13.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.86: HD22 ASN 59 + QD1 ILE 15 OK 86 87 100 99 1.9-5.6 9618=81, 1.7/9617=64...(7) Violated in 0 structures by 0.00 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 2 assignments used, quality = 0.98: HA ASP 12 + QG2 ILE 15 OK 98 98 100 100 4.1-4.3 7965/2.1=94, 9156=91...(11) HA VAL 32 - QG2 ILE 15 far 0 61 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 9179 from cnoeabs.peaks (1.39, 3.22, 66.59 ppm; 5.70 A): 1 out of 3 assignments used, quality = 0.91: HG3 LYS 16 + HA ILE 15 OK 91 97 95 98 5.1-5.9 1107/3.6=89, 72/2.9=82 HG LEU 14 - HA ILE 15 far 0 90 0 - 6.4-6.5 HB3 LEU 114 - HA ILE 15 far 0 96 0 - 9.0-9.5 Violated in 2 structures by 0.01 A. Peak 9180 from cnoeabs.peaks (2.68, 0.85, 17.08 ppm; 4.63 A increased from 3.70 A): 2 out of 8 assignments used, quality = 0.63: HE3 LYS 19 + QG2 ILE 15 OK 44 61 90 80 2.1-4.9 3.0/10786=43...(5) HE2 LYS 19 + QG2 ILE 15 OK 34 61 65 86 1.9-5.0 1.8/11032=50...(5) HB2 TYR 27 - QG2 ILE 5 far 0 62 0 - 6.0-6.6 HB3 ASN 33 - QG2 ILE 15 far 0 94 0 - 7.8-8.8 HB2 TYR 27 - QG2 ILE 15 far 0 70 0 - 9.4-10.4 HB2 TYR 76 - QG2 ILE 5 far 0 65 0 - 9.5-10.0 HE3 LYS 19 - QG2 ILE 5 far 0 54 0 - 9.5-12.0 HB3 ASP 110 - QG2 ILE 15 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 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 4.0-5.6 3.0/7965=100, ~9156=73...(9) HB2 ASP 12 + HB ILE 15 OK 90 90 100 100 5.1-5.6 3.0/7965=100, ~9156=73...(8) 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 = 0.91: HB3 ASP 12 + QD1 ILE 15 OK 73 73 100 100 3.2-5.2 3.0/9174=97, 4.0/9153=64...(10) HB2 ASP 12 + QD1 ILE 15 OK 66 73 90 100 4.3-5.7 3.0/9174=97, 4.0/9153=64...(10) Violated in 0 structures by 0.00 A. Peak 9186 from cnoeabs.peaks (0.84, 3.37, 65.47 ppm; 4.54 A increased from 4.27 A): 1 out of 6 assignments used, quality = 0.72: QG2 VAL 22 + HA ILE 18 OK 72 84 95 90 4.1-4.7 10781/3.6=57...(7) QD1 LEU 14 - HA ILE 18 far 0 65 0 - 4.8-5.1 QG2 ILE 15 - HA ILE 18 far 0 98 0 - 6.7-7.1 QG2 ILE 57 - HA ILE 18 far 0 100 0 - 7.1-7.7 QG2 ILE 5 - HA ILE 18 far 0 100 0 - 7.3-7.9 HG13 ILE 57 - HA ILE 18 far 0 65 0 - 7.4-8.3 Violated in 1 structures by 0.01 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 3.9-4.2 3.1/11027=100...(11) QB ALA 113 + HA ILE 18 OK 89 90 100 100 5.3-6.2 9197/2906=94...(6) HG3 LYS 16 - HA ILE 18 far 0 100 0 - 7.2-8.3 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 1 assignment used, quality = 0.90: HB3 GLU 21 + HA ILE 18 OK 90 92 100 98 2.1-4.1 8006=71, 10446/10439=51...(8) 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 4.9-5.5 3.0/8005=94, 2.9/2008=90...(5) HA LEU 14 + HA ILE 18 OK 63 65 100 97 5.5-5.8 9196/2906=85...(4) 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 4.2-4.8 7984/2.1=98, 1993/4.0=71...(4) HB2 PHE 120 - QG2 ILE 18 far 0 99 0 - 6.9-7.5 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 98 100 100 3.2-3.5 3.0/105=86, 9199=58...(9) 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 3 assignments used, quality = 0.94: HB2 PHE 120 + QD1 ILE 5 OK 78 78 100 99 2.4-3.1 2.4/4709=54...(15) HA ILE 15 + QD1 ILE 18 OK 72 100 85 85 3.5-3.9 7984/3.2=51...(5) HB2 PHE 120 - QD1 ILE 18 far 0 100 0 - 7.6-8.1 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 2 assignments used, quality = 0.62: HA LEU 14 + QD1 ILE 18 OK 62 65 100 95 3.6-3.9 4.0/11652=57...(7) HA GLU 21 - QD1 ILE 18 far 0 99 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 9197 from cnoeabs.peaks (1.39, 0.61, 13.41 ppm; 3.19 A): 1 out of 6 assignments used, quality = 0.44: QB ALA 113 + QD1 ILE 18 OK 44 70 100 63 2.0-2.8 10421=27, 10418/11652=16...(7) HG LEU 14 - QD1 ILE 18 far 0 77 0 - 3.6-3.7 HB3 LEU 114 - QD1 ILE 18 far 0 99 0 - 5.0-5.1 HG3 LYS 16 - QD1 ILE 18 far 0 100 0 - 6.7-7.4 QB ALA 113 - QD1 ILE 5 far 0 47 0 - 8.6-9.1 HB3 LEU 68 - QD1 ILE 5 far 0 62 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9198 from cnoeabs.peaks (0.87, 3.68, 60.85 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.57: QG2 VAL 22 + HA LYS 19 OK 57 70 100 83 2.1-2.5 10859=46, 2.1/9200=26...(8) HG13 ILE 57 - HA LYS 19 far 0 87 0 - 5.4-6.6 QG2 VAL 117 - HA LYS 19 far 0 98 0 - 6.5-7.3 QG2 THR 9 - HA LYS 19 far 0 96 0 - 7.5-8.0 QD1 LEU 14 - HA LYS 19 far 0 87 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 9199 from cnoeabs.peaks (0.72, 3.68, 60.85 ppm; 3.87 A): 2 out of 6 assignments used, quality = 0.99: QG2 ILE 18 + HA LYS 19 OK 96 100 100 96 3.2-3.5 105/3.0=63, 9191=52...(9) QD1 ILE 57 + HA LYS 19 OK 65 84 100 78 3.0-4.0 10785/3.8=42...(7) QD2 LEU 55 - HA LYS 19 far 4 73 5 - 3.8-4.6 QG1 VAL 117 - HA LYS 19 far 0 100 0 - 5.9-6.7 HG13 ILE 18 - HA LYS 19 far 0 94 0 - 6.5-6.6 QD2 LEU 81 - HA LYS 19 far 0 81 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 9200 from cnoeabs.peaks (0.62, 3.68, 60.85 ppm; 5.34 A): 1 out of 5 assignments used, quality = 0.73: QG1 VAL 22 + HA LYS 19 OK 73 73 100 100 3.6-4.3 2.1/9198=100, ~10781=62...(5) QD1 ILE 18 - HA LYS 19 far 0 94 0 - 5.8-6.0 HG13 ILE 15 - HA LYS 19 far 0 81 0 - 7.7-9.1 QD1 ILE 5 - HA LYS 19 far 0 100 0 - 9.6-10.2 QD1 ILE 54 - HA LYS 19 far 0 84 0 - 9.7-10.2 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 = 0.81: HE21 GLN 25 + HA2 GLY 26 OK 81 100 95 86 6.2-6.3 9210/3.0=85 Violated in 20 structures by 0.04 A. Peak 9212 from cnoeabs.peaks (2.00, 2.66, 39.01 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.80: HB VAL 22 + HB2 TYR 27 OK 80 80 100 100 2.9-3.9 2.1/10860=84, 10875=73...(15) HG3 GLU 128 - HB2 TYR 27 far 0 73 0 - 9.1-13.2 HG2 GLU 128 - HB2 TYR 27 far 0 73 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 9213 from cnoeabs.peaks (0.85, 2.66, 39.01 ppm; 4.65 A): 1 out of 7 assignments used, quality = 0.97: QG2 VAL 22 + HB2 TYR 27 OK 97 97 100 100 3.3-4.1 10860=96, 9216/1.8=76...(15) HG13 ILE 5 - HB2 TYR 27 far 0 100 0 - 5.0-5.9 QG2 ILE 5 - HB2 TYR 27 far 0 98 0 - 6.0-6.6 QG2 VAL 117 - HB2 TYR 27 far 0 65 0 - 7.6-8.4 HG13 ILE 57 - HB2 TYR 27 far 0 87 0 - 7.9-9.2 QG2 ILE 57 - HB2 TYR 27 far 0 97 0 - 8.8-9.8 QG2 ILE 15 - HB2 TYR 27 far 0 100 0 - 9.4-10.4 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 4.2-4.8 2.1/10860=90...(13) QD1 ILE 54 - HB2 TYR 27 far 0 77 0 - 5.4-6.0 QD1 ILE 56 - HB2 TYR 27 far 0 89 0 - 7.1-8.0 QD1 LEU 4 - HB2 TYR 27 far 0 95 0 - 8.1-9.3 Violated in 0 structures by 0.00 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 2.3-2.9 10875/1.8=79...(14) HB3 GLU 21 - HB3 TYR 27 far 0 80 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 9216 from cnoeabs.peaks (0.85, 2.37, 39.01 ppm; 4.79 A): 1 out of 7 assignments used, quality = 0.97: QG2 VAL 22 + HB3 TYR 27 OK 97 97 100 100 2.9-3.7 10860/1.8=85...(15) HG13 ILE 5 - HB3 TYR 27 far 0 100 0 - 5.9-6.9 QG2 ILE 5 - HB3 TYR 27 far 0 98 0 - 6.5-7.1 QG2 VAL 117 - HB3 TYR 27 far 0 65 0 - 7.6-8.2 HG13 ILE 57 - HB3 TYR 27 far 0 87 0 - 8.9-9.8 QG2 ILE 57 - HB3 TYR 27 far 0 97 0 - 9.6-10.4 QG2 ILE 15 - HB3 TYR 27 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9217 from cnoeabs.peaks (0.64, 2.37, 39.01 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 22 + HB3 TYR 27 OK 100 100 100 100 3.8-4.4 10858/1.8=88...(15) QD1 ILE 54 - HB3 TYR 27 far 0 99 0 - 6.4-7.2 QD1 ILE 5 - HB3 TYR 27 far 0 77 0 - 6.7-7.2 QD1 LEU 4 - HB3 TYR 27 far 0 100 0 - 9.5-10.7 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 2.7-4.6 4571/2.2=100...(7) HG3 GLU 128 - QE TYR 27 far 5 91 5 - 4.9-8.8 HG2 GLU 128 - QE TYR 27 far 0 91 0 - 5.8-9.0 HB2 MET 1 - QE TYR 27 far 0 84 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 9222 from cnoeabs.peaks (1.81, 6.59, 117.91 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: HG12 ILE 5 + QE TYR 27 OK 95 95 100 100 2.4-4.3 1.8/4596=85, 2.1/9229=83...(10) HB ILE 3 + QE TYR 27 OK 92 95 100 97 2.9-4.5 2.1/9017=77, 3.2/4595=54...(6) HB2 ARG 118 - QE TYR 27 far 0 88 0 - 8.1-9.6 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 2.3-5.3 1.8/4593=93, 9475=85...(8) HG3 ARG 118 - QE TYR 27 far 0 86 0 - 7.8-10.6 HG12 ILE 7 - QE TYR 27 far 0 69 0 - 8.5-10.3 HG12 ILE 57 - QE TYR 27 far 0 72 0 - 9.0-10.6 HB3 LEU 6 - QE TYR 27 far 0 65 0 - 9.5-11.3 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 2.0-4.8 9479=76, 1.8/9223=70...(8) HG13 ILE 7 - QE TYR 27 far 0 54 0 - 7.6-9.5 HD2 LYS 2 - QE TYR 27 far 0 81 0 - 8.3-11.1 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 3 assignments used, quality = 0.99: QG2 ILE 3 + QE TYR 27 OK 94 94 100 100 2.0-3.5 9017=96, 9020/2.2=61...(10) HG2 LYS 53 + QE TYR 27 OK 86 91 95 99 2.3-4.6 3.0/4593=55, 2.8/4719=53...(10) HG2 LYS 2 - QE TYR 27 far 0 76 0 - 7.5-10.6 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 2.8-4.4 ~4584=80, 3.0/4593=78...(10) QD2 LEU 127 - QE TYR 27 far 0 88 0 - 8.3-9.2 HG13 ILE 56 - QE TYR 27 far 0 54 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 9227 from cnoeabs.peaks (0.85, 6.59, 117.91 ppm; 5.12 A): 1 out of 6 assignments used, quality = 0.95: HG13 ILE 5 + QE TYR 27 OK 95 95 100 100 2.0-3.9 2.1/9229=95, 4586/2.2=94...(9) QG2 ILE 5 - QE TYR 27 far 5 91 5 - 4.3-5.8 QG2 VAL 22 - QE TYR 27 far 0 90 0 - 5.9-6.6 QG2 VAL 117 - QE TYR 27 far 0 58 0 - 7.1-7.9 HG13 ILE 57 - QE TYR 27 far 0 79 0 - 9.3-10.9 QG2 ILE 57 - QE TYR 27 far 0 90 0 - 10.0-11.2 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 8 assignments used, quality = 0.75: QG1 VAL 117 + QE TYR 27 OK 75 81 100 93 5.0-5.9 10601/10582=66...(5) QG2 VAL 78 - QE TYR 27 far 7 69 10 - 6.2-7.4 QG2 ILE 18 - QE TYR 27 far 0 88 0 - 7.0-7.9 QD1 ILE 57 - QE TYR 27 far 0 94 0 - 8.3-9.4 QD2 LEU 81 - QE TYR 27 far 0 94 0 - 8.3-9.5 QD2 LEU 45 - QE TYR 27 far 0 69 0 - 8.7-10.2 QG2 ILE 56 - QE TYR 27 far 0 65 0 - 9.0-10.3 QD1 LEU 6 - QE TYR 27 far 0 93 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9229 from cnoeabs.peaks (0.61, 6.59, 117.91 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.61: QD1 ILE 5 + QE TYR 27 OK 61 62 100 98 3.2-3.8 2.1/4596=70, 9056=47...(11) QG1 VAL 78 - QE TYR 27 far 0 88 0 - 6.2-8.0 QD1 ILE 18 - QE TYR 27 far 0 91 0 - 8.8-9.9 Violated in 0 structures by 0.00 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 2.0-3.9 9232/1181=87...(3) Violated in 0 structures by 0.00 A. Peak 9239 from cnoeabs.peaks (0.79, 4.50, 54.38 ppm; 5.47 A increased from 4.86 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 29 + HA GLN 28 OK 97 97 100 100 5.4-5.5 4.0/158=93, 3.2/10675=80...(4) Violated in 1 structures by 0.00 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 - 9.8-10.9 Violated in 20 structures by 5.80 A. Peak 9245 from cnoeabs.peaks (2.71, 0.80, 21.46 ppm; 4.02 A increased from 3.79 A): 2 out of 4 assignments used, quality = 0.96: HE3 LYS 19 + QG1 VAL 29 OK 84 96 95 92 2.0-4.3 4.0/10926=48...(9) HE2 LYS 19 + QG1 VAL 29 OK 75 96 85 92 1.9-4.4 4.0/10926=48...(9) HB3 ASN 33 - QG1 VAL 29 far 0 65 0 - 9.6-11.1 HE3 LYS 53 - QG1 VAL 29 far 0 92 0 - 9.8-13.2 Violated in 0 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 100 100 100 100 2.8-5.8 4.0/10923=87...(7) HE3 LYS 19 + QG2 VAL 29 OK 100 100 100 100 3.6-5.8 4.0/10923=87...(7) HE2 LYS 61 - QG2 VAL 104 far 0 51 0 - 9.0-13.2 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 = 0.89: HA LYS 19 + QG2 VAL 29 OK 89 92 100 96 2.6-3.2 11520/2.1=60...(9) 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 3.3-3.9 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 100 100 100 100 5.7-5.8 166/4.0=99, 9252/1.8=46...(4) HA ILE 56 + HB2 ARG 30 OK 81 81 100 100 3.5-4.6 ~10947=81, 4.2/9259=78...(8) 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 100 100 100 100 4.4-4.9 166/4.0=99, 9251/1.8=47 HA ILE 56 + HB3 ARG 30 OK 81 81 100 100 2.5-3.1 3.2/10947=90...(7) 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 = 1.00: HA VAL 29 + HG3 ARG 30 OK 96 98 100 98 3.9-6.2 166/4.9=90, 9251/2.8=40...(4) HA ILE 56 + HG3 ARG 30 OK 94 96 100 99 4.6-5.8 10680/4.9=74, ~10947=68...(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 4.6-5.0 2.1/9257=98...(7) HD3 LYS 2 - HB3 ARG 30 far 0 65 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 9257 from cnoeabs.peaks (0.67, 1.51, 32.39 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.92: QD1 ILE 56 + HB3 ARG 30 OK 92 92 100 100 1.9-2.2 9550=81, 2.9/10947=75...(11) QD2 LEU 4 - HB3 ARG 30 far 0 97 0 - 5.8-6.7 QD1 LEU 55 - HB3 ARG 30 far 0 84 0 - 6.7-7.3 QD1 ILE 71 - HB3 ARG 30 far 0 70 0 - 8.0-9.0 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 2 assignments used, quality = 0.92: HG13 ILE 56 + HB2 ARG 30 OK 92 92 100 100 5.0-6.0 2.1/9259=94, ~9550=89...(9) QD1 LEU 38 - HB2 ARG 30 far 0 81 0 - 8.0-9.0 Violated in 2 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 2.1-3.0 9550/1.8=96...(12) QD2 LEU 4 - HB2 ARG 30 far 0 87 0 - 6.8-7.8 QD1 LEU 55 - HB2 ARG 30 far 0 65 0 - 8.0-8.6 QD1 ILE 71 - HB2 ARG 30 far 0 87 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 9260 from cnoeabs.peaks (0.76, 1.65, 32.39 ppm; 5.37 A): 2 out of 6 assignments used, quality = 0.97: QG2 ILE 54 + HB2 ARG 30 OK 87 87 100 100 3.4-4.2 11329/2.8=81...(10) QG2 VAL 32 + HB2 ARG 30 OK 77 99 100 78 3.1-4.0 9273/172=76, 11707/9259=8 QD1 LEU 45 - HB2 ARG 30 far 0 99 0 - 6.4-7.6 QD1 LEU 63 - HB2 ARG 30 far 0 70 0 - 7.9-8.8 QD1 ILE 7 - HB2 ARG 30 far 0 94 0 - 9.2-10.2 QD1 ILE 15 - HB2 ARG 30 far 0 98 0 - 9.8-10.4 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 6 assignments used, quality = 0.76: QG2 ILE 54 + HD2 ARG 30 OK 76 77 100 99 2.1-4.6 9263/1.8=82...(7) QD2 LEU 45 - HD2 ARG 30 far 5 98 5 - 4.0-7.1 QD2 LEU 55 - HD2 ARG 30 far 0 99 0 - 6.8-8.0 QD2 LEU 6 - HD2 ARG 30 far 0 99 0 - 8.5-10.2 QD1 LEU 63 - HD2 ARG 30 far 0 92 0 - 8.8-11.7 QG2 VAL 78 - HD2 ARG 30 far 0 98 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 9262 from cnoeabs.peaks (0.66, 3.33, 42.86 ppm; 5.91 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 56 + HD2 ARG 30 OK 98 98 100 100 3.3-5.0 9550/3.6=89...(6) QD1 LEU 4 - HD2 ARG 30 far 0 84 0 - 6.5-9.3 QD1 ILE 71 - HD2 ARG 30 far 0 100 0 - 9.7-11.9 QG1 VAL 22 - HD2 ARG 30 far 0 70 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 9263 from cnoeabs.peaks (0.74, 2.93, 42.86 ppm; 4.38 A): 1 out of 8 assignments used, quality = 0.91: QG2 ILE 54 + HD3 ARG 30 OK 91 92 100 100 2.1-4.3 11329/3.0=72...(9) QD2 LEU 45 - HD3 ARG 30 far 9 90 10 - 4.2-7.6 QD1 LEU 45 - HD3 ARG 30 far 0 65 0 - 5.0-9.1 QD2 LEU 55 - HD3 ARG 30 far 0 100 0 - 5.9-8.4 QD2 LEU 6 - HD3 ARG 30 far 0 100 0 - 7.7-10.3 QG2 VAL 78 - HD3 ARG 30 far 0 90 0 - 9.0-11.6 QD1 LEU 63 - HD3 ARG 30 far 0 99 0 - 9.4-11.4 QG2 ILE 18 - HD3 ARG 30 far 0 65 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 9264 from cnoeabs.peaks (0.64, 2.93, 42.86 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 54 + HD3 ARG 30 OK 99 100 100 99 3.1-5.1 11330/3.0=86...(4) QD1 LEU 4 - HD3 ARG 30 far 0 99 0 - 6.2-9.4 QD1 ILE 71 - HD3 ARG 30 far 0 73 0 - 8.7-11.6 QG1 VAL 22 - HD3 ARG 30 far 0 100 0 - 9.0-12.1 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 + HB2 ASP 31 OK 97 99 100 98 3.2-4.2 1.7/9315=85, 9314=59...(4) HD21 ASN 33 + HB3 ASP 31 OK 79 99 80 100 3.7-5.8 9314/1.8=97, ~9315=84...(4) Violated in 0 structures by 0.00 A. Peak 9266 from cnoeabs.peaks (7.02, 2.47, 42.72 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.99: HD22 ASN 33 + HB2 ASP 31 OK 97 100 100 97 2.6-4.2 9315=86, 1.7/9314=55...(4) HD22 ASN 33 + HB3 ASP 31 OK 64 100 65 99 3.4-5.9 9315/1.8=94, ~9314=69...(4) HE22 GLN 28 - HB3 ASP 31 far 0 96 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 9267 from cnoeabs.peaks (1.82, 2.47, 42.72 ppm; 5.98 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 57 + HB2 ASP 31 OK 100 100 100 100 4.0-5.9 9569/3.0=95, 9577/180=74...(11) HB ILE 57 + HB3 ASP 31 OK 100 100 100 100 3.6-5.7 9569/3.0=95, ~9567=67...(12) HB3 LYS 19 - HB3 ASP 31 far 0 87 0 - 7.8-10.0 HB3 LYS 19 - HB2 ASP 31 far 0 87 0 - 9.3-10.5 HB ILE 18 - HB3 ASP 31 far 0 100 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 9268 from cnoeabs.peaks (0.85, 2.47, 42.72 ppm; 5.74 A): 2 out of 12 assignments used, quality = 0.95: QG2 ILE 57 + HB2 ASP 31 OK 83 92 90 100 4.5-6.3 9567/3.0=77, ~9270=69...(11) QG2 ILE 57 + HB3 ASP 31 OK 69 92 75 100 4.4-6.3 9567/3.0=77, ~9270=69...(11) QG1 VAL 32 - HB2 ASP 31 poor 17 70 25 - 5.8-6.1 QG2 ILE 15 - HB2 ASP 31 lone 11 100 95 12 4.5-6.1 4507/9267=7, 4533/9557=4 QG2 ILE 15 - HB3 ASP 31 lone 11 100 90 12 4.1-6.2 4507/9267=7, 4533/9557=4 QG1 VAL 32 - HB3 ASP 31 far 0 69 0 - 6.2-7.0 HG13 ILE 57 - HB3 ASP 31 far 0 94 0 - 6.3-8.5 HG13 ILE 57 - HB2 ASP 31 far 0 94 0 - 7.0-8.9 QG2 THR 9 - HB2 ASP 31 far 0 84 0 - 7.7-9.8 QG2 VAL 22 - HB3 ASP 31 far 0 99 0 - 8.0-9.7 QG2 THR 9 - HB3 ASP 31 far 0 84 0 - 8.0-10.0 QG2 VAL 22 - HB2 ASP 31 far 0 99 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9269 from cnoeabs.peaks (0.73, 2.47, 42.72 ppm; 6.20 A increased from 5.64 A): 0 out of 14 assignments used, quality = 0.00: QD2 LEU 55 - HB3 ASP 31 poor 6 99 25 25 6.0-7.9 11487/9554=24 QD1 LEU 63 - HB2 ASP 31 far 0 92 0 - 6.3-7.2 QD2 LEU 55 - HB2 ASP 31 far 0 99 0 - 7.0-8.2 QD1 LEU 63 - HB3 ASP 31 far 0 92 0 - 7.0-7.9 QG2 ILE 54 - HB3 ASP 31 far 0 77 0 - 7.7-8.8 QG2 ILE 18 - HB3 ASP 31 far 0 84 0 - 8.3-10.5 QG2 ILE 54 - HB2 ASP 31 far 0 77 0 - 8.4-9.2 QD2 LEU 6 - HB2 ASP 31 far 0 99 0 - 8.6-10.0 QD2 LEU 6 - HB3 ASP 31 far 0 99 0 - 8.9-10.3 QG2 ILE 7 - HB3 ASP 31 far 0 84 0 - 9.2-11.4 QD1 LEU 6 - HB2 ASP 31 far 0 73 0 - 9.3-10.9 QG2 ILE 7 - HB2 ASP 31 far 0 84 0 - 9.3-11.4 QG2 ILE 18 - HB2 ASP 31 far 0 84 0 - 9.5-10.6 QD1 LEU 6 - HB3 ASP 31 far 0 73 0 - 9.7-11.4 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 2.6-3.5 9569=91, 1371/9570=63...(9) HB3 LYS 19 - HA ASP 31 far 0 96 0 - 9.0-10.2 HB ILE 18 - HA ASP 31 far 0 99 0 - 9.7-10.3 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 3.4-3.4 9322=93, 187/183=88...(12) H LEU 64 - HA VAL 32 far 0 73 0 - 9.4-10.2 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 1.9-2.3 9319=97, 187/185=56...(12) H LEU 64 - QG1 VAL 32 far 0 96 0 - 6.1-6.8 H GLU 69 - QG1 VAL 32 far 0 94 0 - 10.0-10.4 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 4.3-4.4 3.6/9288=96...(7) H GLU 66 - QG1 VAL 32 far 0 73 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 9280 from cnoeabs.peaks (7.62, 0.76, 21.14 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.97: H ASP 34 + QG2 VAL 32 OK 97 97 100 100 4.3-4.6 9278/2.1=97, 9322/3.2=95...(7) H LEU 64 - QG2 VAL 32 far 0 100 0 - 7.4-8.1 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 5.1-5.6 3.6/9289=94, 9279/2.1=86...(4) H GLU 66 - QG2 VAL 32 far 0 92 0 - 8.7-9.2 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 2.2-2.4 11505=99, 3.0/9288=70...(16) 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 3.4-4.1 11505/2.1=98...(11) 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 4.4-5.1 ~9604=80, 2.8/11681=77...(10) 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 2.1-2.5 11003=97, 2.9/10930=49...(10) HB2 SER 35 - QG1 VAL 32 far 0 90 0 - 5.5-6.1 HA LEU 64 - QG1 VAL 32 far 0 100 0 - 6.2-6.6 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 2.2-2.7 11003/2.1=89, 9375=85...(14) HA LEU 64 - QG2 VAL 32 far 0 97 0 - 6.7-7.2 HB2 SER 35 - QG2 VAL 32 far 0 99 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 9290 from cnoeabs.peaks (3.77, 0.76, 21.14 ppm; 5.98 A increased from 5.32 A): 1 out of 2 assignments used, quality = 0.84: HB2 SER 58 + QG2 VAL 32 OK 84 84 100 100 5.3-5.7 9287/2.1=83, ~9602=78...(8) HA LEU 68 - QG2 VAL 32 far 0 87 0 - 9.2-10.0 Violated in 0 structures by 0.00 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 3.1-3.6 1.8/9292=82, 9373=75...(17) 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 2.6-3.1 1.8/9291=72, 9363/3.2=57...(16) Violated in 0 structures by 0.00 A. Peak 9293 from cnoeabs.peaks (2.45, 4.25, 61.56 ppm; 5.64 A increased from 5.01 A): 2 out of 2 assignments used, quality = 0.99: HG2 GLU 37 + HA VAL 32 OK 99 99 100 100 4.3-5.4 1.8/9294=97, 3.0/9292=92...(16) HG3 GLU 41 + HA VAL 32 OK 52 87 60 100 4.6-7.6 9301/3.2=88, ~9399=77...(6) Violated in 0 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 3.6-4.7 3.0/9292=72, 3.0/9291=69...(16) HE3 LYS 19 - HA VAL 32 far 0 81 0 - 8.9-12.9 HE2 LYS 19 - HA VAL 32 far 0 81 0 - 9.2-13.4 Violated in 2 structures by 0.00 A. Peak 9295 from cnoeabs.peaks (2.92, 4.25, 61.56 ppm; 6.20 A): 2 out of 3 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...(6) HB2 ASP 34 + HA VAL 32 OK 83 92 95 95 5.2-6.4 4.0/9322=90...(3) HD3 ARG 30 - HA VAL 32 far 0 81 0 - 7.5-9.4 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 3.4-3.9 3.0/9365=63, 9294/3.2=61...(19) HE3 LYS 19 - QG1 VAL 32 far 0 84 0 - 9.4-12.7 HE2 LYS 19 - QG1 VAL 32 far 0 84 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 9298 from cnoeabs.peaks (2.44, 0.87, 21.73 ppm; 4.52 A increased from 4.25 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 37 + QG1 VAL 32 OK 100 100 100 100 4.1-4.4 1.8/9297=76, 3.0/9365=61...(19) HG3 GLU 41 + QG1 VAL 32 OK 49 65 75 100 3.7-5.3 9301/2.1=86, 1.8/9300=84...(7) HG3 GLU 69 - QG1 VAL 32 far 0 99 0 - 9.6-12.4 Violated in 0 structures by 0.00 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; 4.25 A increased from 3.58 A): 1 out of 1 assignment used, quality = 0.96: HG2 GLU 41 + QG1 VAL 32 OK 96 99 100 97 3.5-4.0 9399/2.1=89, ~9301=55...(5) Violated in 0 structures by 0.00 A. Peak 9301 from cnoeabs.peaks (2.44, 0.76, 21.14 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.64: HG3 GLU 41 + QG2 VAL 32 OK 64 65 100 97 2.0-3.9 1.8/9302=86, ~9300=44...(10) HG2 GLU 37 - QG2 VAL 32 far 5 100 5 - 4.0-5.6 Violated in 1 structures by 0.00 A. Peak 9302 from cnoeabs.peaks (2.13, 0.76, 21.14 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.99: HG2 GLU 41 + QG2 VAL 32 OK 99 100 100 99 1.9-3.2 9399=89, 1.8/9301=59...(9) HB2 LEU 38 - QG2 VAL 32 far 0 65 0 - 4.2-4.8 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 9 assignments used, quality = 0.80: HB3 LEU 38 + QG2 VAL 32 OK 80 81 100 100 3.2-3.9 10930/2.1=63...(9) HG3 ARG 30 - QG2 VAL 32 far 0 99 0 - 4.6-6.3 HG12 ILE 57 - QG2 VAL 32 far 0 84 0 - 5.9-7.0 HG3 LYS 44 - QG2 VAL 32 far 0 94 0 - 6.9-7.6 HG2 LYS 39 - QG2 VAL 32 far 0 92 0 - 7.2-8.3 HB3 LEU 4 - QG2 VAL 32 far 0 92 0 - 7.8-8.4 HB2 LEU 4 - QG2 VAL 32 far 0 92 0 - 8.5-9.2 HB3 LEU 6 - QG2 VAL 32 far 0 90 0 - 9.3-10.0 HG LEU 4 - QG2 VAL 32 far 0 99 0 - 9.8-10.4 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 2.0-3.2 ~9365=79, 9363/2.1=79...(19) HG2 GLN 28 - QG2 VAL 32 far 0 65 0 - 7.5-11.1 HB3 ASN 8 - QG2 VAL 32 far 0 73 0 - 8.9-9.5 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 = 0.93: QD1 LEU 63 + HA ASN 33 OK 93 100 100 93 2.4-2.7 11256=70, 9320/3.6=52...(5) QD2 LEU 6 - HA ASN 33 far 0 97 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9309 from cnoeabs.peaks (2.03, 2.93, 40.96 ppm; 4.81 A increased from 4.27 A): 2 out of 4 assignments used, quality = 0.94: HB2 GLU 89 + HB2 ASP 86 OK 81 87 95 99 2.7-5.0 3.0/11302=78...(7) HB3 GLU 89 + HB2 ASP 86 OK 69 87 80 99 3.3-5.1 3.0/11302=78...(7) HB3 GLN 85 - HB2 ASP 86 far 0 87 0 - 5.0-7.1 HB3 GLU 87 - HB2 ASP 86 far 0 87 0 - 6.6-7.0 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 4.7-4.9 9334/196=79...(7) Violated in 0 structures by 0.00 A. Peak 9324 from cnoeabs.peaks (0.73, 4.70, 53.48 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.88: QD1 LEU 63 + HA ASP 34 OK 88 92 100 95 2.8-3.1 11263=63, 9320/3.0=37...(8) Violated in 0 structures by 0.00 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 2.8-3.6 1880/196=86, 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 2 assignments used, quality = 1.00: H ASP 36 + HB2 ASP 34 OK 100 100 100 100 3.9-5.0 9343/1.8=96, 1880/195=82...(4) H ASP 31 - HB2 ASP 34 far 0 87 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 9335 from cnoeabs.peaks (1.69, 4.05, 61.45 ppm; 6.20 A increased from 5.94 A): 3 out of 5 assignments used, quality = 0.90: HG3 LYS 39 + HA SER 35 OK 73 87 100 84 3.9-6.1 618/8033=83 HD3 LYS 39 + HA SER 35 OK 41 65 70 89 5.3-7.3 6.2/8033=56, ~10796=49 HD2 LYS 39 + HA SER 35 OK 35 61 65 89 4.8-7.0 6.2/8033=56, ~10796=49 HD2 LYS 40 - HA SER 35 far 0 99 0 - 7.9-10.6 HD3 LYS 40 - HA SER 35 far 0 98 0 - 8.7-11.4 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 5.7-6.1 3.1/9338=99...(8) QE MET 67 + HA SER 35 OK 72 81 100 89 5.5-6.1 11232/8031=67...(4) QE MET 42 - HA SER 35 far 0 100 0 - 8.6-9.4 HG LEU 70 - HA SER 35 far 0 65 0 - 9.1-9.8 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 92 99 100 93 3.7-4.0 10930/8031=57...(7) QD2 LEU 38 + HA SER 35 OK 69 70 100 100 2.9-3.3 3.1/8029=65, 3.1/8031=62...(10) 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 1 assignment used, quality = 0.99: QD2 LEU 63 + HA SER 35 OK 99 99 100 100 1.8-2.0 11048=90, 9334/2.9=52...(13) 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 7 assignments used, quality = 1.00: HG3 LYS 39 + HA ASP 36 OK 99 100 100 99 2.8-3.8 2.9/8037=65...(9) HD3 LYS 39 + HA ASP 36 OK 60 97 65 96 2.6-5.1 3.5/8037=57...(8) HD2 LYS 39 + HA ASP 36 OK 41 96 45 96 2.6-5.2 3.5/8037=57...(8) HD2 LYS 40 - HA ASP 36 far 4 73 5 - 4.1-7.3 HD3 LYS 40 - HA ASP 36 far 3 70 5 - 4.2-8.2 HD2 LYS 43 - HA ASP 36 far 0 61 0 - 7.5-10.7 HD3 LYS 43 - HA ASP 36 far 0 81 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 9346 from cnoeabs.peaks (3.00, 4.52, 57.67 ppm; 5.11 A increased from 4.81 A): 2 out of 3 assignments used, quality = 0.82: HE2 LYS 39 + HA ASP 36 OK 72 73 100 98 2.1-4.9 5.0/8037=59...(9) HE3 LYS 39 + HA ASP 36 OK 36 81 45 98 2.7-5.9 5.0/8037=59...(9) HE2 LYS 43 - HA ASP 36 far 0 77 0 - 8.0-11.3 Violated in 0 structures by 0.00 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 5.6-6.0 3.6/1224=99, 8027/203=69 HA GLU 37 + HB2 ASP 36 OK 90 90 100 100 4.1-4.8 2.9/203=100, ~204=86, ~7460=85 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 3.8-4.0 9305/1.8=88, 3.6/9292=77...(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 3.3-3.6 9305=99, 9306/1.8=96...(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 4.8-5.3 9351/3.0=73, 9354/1.8=67...(6) Violated in 0 structures by 0.00 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 3.3-4.2 9353/1.8=95, 9351/3.0=85...(7) 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 3.3-3.8 9357/3.0=87, 9318/3.0=73...(12) 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 3.8-4.1 9318/1.8=88, 9317=84...(11) Violated in 0 structures by 0.00 A. Peak 9363 from cnoeabs.peaks (0.85, 2.27, 29.72 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.69: QG1 VAL 32 + HB2 GLU 37 OK 69 70 100 100 2.0-2.5 9365/1.8=77, 2.1/9364=61...(16) QG2 ILE 57 - HB2 GLU 37 far 0 92 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (0.75, 2.27, 29.72 ppm; 4.77 A): 1 out of 5 assignments used, quality = 0.73: QG2 VAL 32 + HB2 GLU 37 OK 73 73 100 100 2.0-3.2 2.1/9363=86, 3.2/9292=72...(19) QD1 LEU 63 - HB2 GLU 37 far 15 98 15 - 4.7-5.5 QG2 ILE 54 - HB2 GLU 37 far 0 100 0 - 8.6-9.3 QD1 LEU 45 - HB2 GLU 37 far 0 97 0 - 8.9-10.1 QD2 LEU 6 - HB2 GLU 37 far 0 87 0 - 8.9-9.8 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 1.9-2.3 9363/1.8=69...(18) QG2 ILE 57 - HB3 GLU 37 far 0 73 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9366 from cnoeabs.peaks (0.75, 2.17, 29.72 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.98: QD1 LEU 63 + HB3 GLU 37 OK 94 98 100 95 3.9-4.3 9320/9318=77...(4) QG2 VAL 32 + HB3 GLU 37 OK 73 73 100 100 3.2-4.1 2.1/9365=82, 9364/1.8=71...(18) QD2 LEU 6 - HB3 GLU 37 far 0 87 0 - 9.5-10.0 QG2 ILE 54 - HB3 GLU 37 far 0 100 0 - 9.8-10.5 QD1 LEU 45 - HB3 GLU 37 far 0 97 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 9367 from cnoeabs.peaks (0.88, 2.44, 36.55 ppm; 4.43 A increased from 4.17 A): 2 out of 4 assignments used, quality = 0.98: QG1 VAL 32 + HG2 GLU 37 OK 92 92 100 100 4.1-4.4 9297/1.8=65, 9298=56...(18) QG2 VAL 104 + HG3 GLU 98 OK 72 86 85 98 3.4-4.7 2.1/10233=59...(7) QD2 LEU 38 - HG2 GLU 37 far 0 87 0 - 7.2-7.8 QD2 LEU 90 - HG3 GLU 98 far 0 89 0 - 8.5-10.0 Violated in 0 structures by 0.00 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 3.4-3.9 9365/3.0=87, 9363/3.0=68...(19) 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 2 assignments used, quality = 0.99: QG2 VAL 32 + HG3 GLU 37 OK 90 90 100 100 4.4-5.4 2.1/9368=82, 9364/3.0=81...(17) QD1 LEU 63 + HG3 GLU 37 OK 86 90 100 97 5.3-5.6 9360/1231=58...(5) 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 3.6-4.7 9373/3.0=84, 9292/3.0=80...(17) 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 2.6-3.1 9373/1.8=76, 9292=69...(16) 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 3.1-3.6 9291=78, 9292/1.8=76...(17) Violated in 0 structures by 0.00 A. Peak 9374 from cnoeabs.peaks (4.23, 2.44, 36.55 ppm; 5.36 A increased from 5.05 A): 1 out of 1 assignment used, quality = 0.77: HA VAL 32 + HG2 GLU 37 OK 77 77 100 100 4.3-5.4 9372/3.0=83, 9373/3.0=80...(16) Violated in 0 structures by 0.00 A. Peak 9375 from cnoeabs.peaks (0.75, 3.91, 59.13 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.89: QG2 VAL 32 + HA LEU 38 OK 89 90 100 100 2.2-2.7 2.1/11003=85, 9289=76...(14) QD1 LEU 63 - HA LEU 38 far 0 90 0 - 4.6-5.2 QD1 LEU 45 - HA LEU 38 far 0 100 0 - 6.4-7.4 QD2 LEU 6 - HA LEU 38 far 0 70 0 - 6.7-7.1 QG2 ILE 54 - HA LEU 38 far 0 98 0 - 7.6-8.3 QD2 LEU 55 - HA LEU 38 far 0 73 0 - 9.6-10.3 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 3.4-3.6 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): 1 out of 4 assignments used, quality = 0.96: HA SER 35 + HG LEU 38 OK 96 96 100 100 5.1-5.4 10996/2.1=99...(7) HA GLU 66 - HG LEU 38 far 0 87 0 - 6.3-6.7 HA LYS 40 - HG LEU 38 far 0 73 0 - 7.4-7.7 HA GLU 69 - HG LEU 38 far 0 70 0 - 9.7-10.3 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 2.8-3.7 10993/2.1=83...(10) HB2 ASP 60 - HG LEU 38 far 0 73 0 - 9.0-10.4 Violated in 0 structures by 0.00 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 2.6-3.8 1.8/9378=85, 9420=81...(11) HB3 ASP 36 - HG LEU 38 far 0 99 0 - 9.0-9.4 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 2.5-2.8 9390=81, 3.0/216=71...(16) Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (2.38, 0.89, 25.56 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.87: HG2 GLU 66 + QD2 LEU 38 OK 87 87 100 100 4.1-4.1 1.8/9385=98...(10) HG3 MET 67 - QD2 LEU 38 far 0 73 0 - 6.0-6.5 Violated in 0 structures by 0.00 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 2.8-3.4 11067=91, 4909/11060=53...(10) HB2 MET 42 - QD2 LEU 38 far 0 92 0 - 4.8-5.4 HB3 GLU 37 - QD2 LEU 38 far 0 98 0 - 5.7-6.0 HB3 GLN 62 - QD2 LEU 38 far 0 81 0 - 6.5-7.0 HB2 GLN 62 - QD2 LEU 38 far 0 81 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 9386 from cnoeabs.peaks (8.38, 0.89, 25.56 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.91: H MET 67 + QD2 LEU 38 OK 91 92 100 99 4.1-4.4 9699/2.1=71...(7) H ASP 36 - QD2 LEU 38 far 0 99 0 - 5.1-5.3 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 99 2.5-2.8 9380=59, 216/3.0=52...(14) QG1 VAL 32 - HA LYS 39 far 0 92 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 9396 from cnoeabs.peaks (1.69, 4.26, 58.07 ppm; 5.55 A increased from 4.44 A): 2 out of 12 assignments used, quality = 0.95: HD3 LYS 44 + HA GLU 41 OK 90 92 100 98 4.6-5.6 3.7/8072=88...(4) HD2 LYS 44 + HA GLU 41 OK 47 96 50 99 5.2-5.9 3.7/8072=88, 2.9/9397=70...(4) HD2 LYS 40 - HA GLU 41 far 4 90 5 - 5.6-6.5 HD3 LYS 40 - HA GLU 41 far 4 87 5 - 4.6-7.7 HG3 LYS 39 - HA GLU 41 far 0 98 0 - 7.0-8.8 HD3 LYS 43 - HA GLU 41 far 0 94 0 - 7.4-8.9 HD2 LYS 43 - HA GLU 41 far 0 81 0 - 7.5-9.1 HB ILE 54 - HA GLU 41 far 0 90 0 - 7.5-9.0 HD3 LYS 39 - HA GLU 41 far 0 87 0 - 9.2-11.1 HB ILE 56 - HA GLU 41 far 0 99 0 - 9.2-10.5 HD2 LYS 39 - HA GLU 41 far 0 84 0 - 9.5-11.1 HG12 ILE 71 - HA GLU 41 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 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 3.0-3.8 2.9/8072=96...(5) HB3 LEU 70 - HA GLU 41 far 0 84 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9398 from cnoeabs.peaks (0.76, 4.26, 58.07 ppm; 5.51 A increased from 4.90 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 32 + HA GLU 41 OK 98 99 100 99 4.9-5.5 9399/4.2=83, 9301/4.2=78...(4) QD1 LEU 45 + HA GLU 41 OK 51 99 65 79 5.4-6.0 9414/3.6=49...(4) QG2 ILE 54 - HA GLU 41 far 9 87 10 - 5.5-6.4 QD1 LEU 63 - HA GLU 41 far 0 70 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 9399 from cnoeabs.peaks (0.75, 2.13, 34.90 ppm; 3.38 A increased from 3.18 A): 1 out of 6 assignments used, quality = 0.90: QG2 VAL 32 + HG2 GLU 41 OK 90 92 100 97 1.9-3.2 9302=82, 9301/1.8=50...(8) QD1 LEU 45 - HG2 GLU 41 far 0 100 0 - 5.2-7.3 QG2 ILE 54 - HG2 GLU 41 far 0 97 0 - 5.7-7.0 QD1 LEU 63 - HG2 GLU 41 far 0 87 0 - 6.2-7.3 QD2 LEU 6 - HG2 GLU 41 far 0 65 0 - 6.7-9.1 QD2 LEU 55 - HG2 GLU 41 far 0 70 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 9400 from cnoeabs.peaks (0.74, 1.95, 28.25 ppm; 4.51 A increased from 4.25 A): 0 out of 14 assignments used, quality = 0.00: QD1 LEU 45 - HB3 GLU 41 poor 15 87 40 42 4.4-5.2 9414/4.7=26...(4) QD2 LEU 45 - HB3 GLU 41 lone 12 70 95 18 3.7-4.7 ~9398=11, 9416/3771=6 QG2 ILE 54 - HB3 GLU 41 lone 7 99 45 15 4.3-5.0 11707/11236=15 QD1 LEU 45 - HB2 GLU 41 far 0 87 0 - 4.8-6.3 QD2 LEU 45 - HB2 GLU 41 far 0 69 0 - 4.8-5.9 QG2 ILE 54 - HB2 GLU 41 far 0 99 0 - 5.6-6.3 QD1 LEU 63 - HB2 GLU 41 far 0 100 0 - 6.9-7.9 QD2 LEU 6 - HB2 GLU 41 far 0 97 0 - 7.3-8.9 QD2 LEU 6 - HB3 GLU 41 far 0 97 0 - 7.4-8.4 QD1 LEU 63 - HB3 GLU 41 far 0 100 0 - 8.0-8.9 QD2 LEU 55 - HB3 GLU 41 far 0 98 0 - 8.3-9.4 QG2 VAL 78 - HB3 GLU 41 far 0 70 0 - 8.7-9.9 QD2 LEU 55 - HB2 GLU 41 far 0 98 0 - 9.1-10.0 QG2 VAL 78 - HB2 GLU 41 far 0 69 0 - 9.1-10.8 Violated in 0 structures by 0.00 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: QD1 LEU 45 - HG3 GLU 41 poor 17 87 20 - 3.8-6.8 QD2 LEU 45 - HG3 GLU 41 far 3 70 5 - 4.2-6.7 QG2 ILE 54 - HG3 GLU 41 far 0 99 0 - 5.2-6.4 QD1 LEU 63 - HG3 GLU 41 far 0 100 0 - 6.6-8.2 QD2 LEU 6 - HG3 GLU 41 far 0 97 0 - 7.0-9.2 QD2 LEU 55 - HG3 GLU 41 far 0 98 0 - 8.2-10.3 QG2 VAL 78 - HG3 GLU 41 far 0 70 0 - 8.4-11.1 Violated in 15 structures by 0.47 A. Peak 9402 from cnoeabs.peaks (0.66, 2.46, 34.90 ppm; 5.64 A): 1 out of 4 assignments used, quality = 0.59: QD1 ILE 56 + HG3 GLU 41 OK 59 100 100 59 2.8-5.0 11249/3.0=34...(3) QD1 LEU 4 - HG3 GLU 41 far 0 65 0 - 5.8-8.5 QD2 LEU 4 - HG3 GLU 41 far 0 65 0 - 6.9-8.8 QD1 ILE 71 - HG3 GLU 41 far 0 98 0 - 6.9-10.0 Violated in 0 structures by 0.00 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 0 96 0 - 6.8-9.7 HB3 SER 35 - HG2 GLU 41 far 0 97 0 - 8.8-10.7 Violated in 20 structures by 2.80 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 2.7-4.7 8052/3.0=93...(8) HA LEU 64 - HG3 GLU 41 far 0 90 0 - 9.3-12.2 HB2 SER 35 - HG3 GLU 41 far 0 100 0 - 9.9-11.6 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 3 assignments used, quality = 1.00: H ILE 71 + QE MET 42 OK 100 100 100 100 3.2-4.1 1471/11630=92...(10) H LYS 49 - QE MET 42 far 0 98 0 - 9.2-12.4 H LEU 80 - QE MET 42 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9407 from cnoeabs.peaks (7.73, 1.87, 17.86 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.91: H LEU 70 + QE MET 42 OK 91 92 100 99 4.2-5.2 4.8/9430=88...(7) H LYS 73 - QE MET 42 far 5 99 5 - 6.1-7.3 H GLU 47 - QE MET 42 far 0 81 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 9409 from cnoeabs.peaks (6.71, 1.87, 17.86 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.99: QE TYR 76 + QE MET 42 OK 99 99 100 100 4.9-5.9 9818/11530=92...(5) QE TYR 102 - QE MET 42 far 0 99 0 - 6.4-7.3 QD PHE 79 - QE MET 42 far 0 94 0 - 8.7-9.1 Violated in 0 structures by 0.00 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 - 6.1-6.4 QG1 VAL 32 - HA MET 42 far 0 99 0 - 7.2-7.8 Violated in 20 structures by 1.00 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 2.0-2.6 9435=77, 3.1/8078=65...(13) QD2 LEU 45 + HA MET 42 OK 69 70 100 100 3.2-3.7 2.1/9435=69, 3.1/8078=65...(12) QG2 ILE 54 - HA MET 42 far 0 99 0 - 5.3-6.9 QG2 VAL 78 - HA MET 42 far 0 70 0 - 7.3-7.9 QD2 LEU 6 - HA MET 42 far 0 97 0 - 7.6-8.1 QD1 LEU 63 - HA MET 42 far 0 100 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 9417 from cnoeabs.peaks (0.89, 2.19, 31.25 ppm; 5.28 A): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 38 + HB2 MET 42 OK 90 100 90 100 4.8-5.4 9380/8057=66, ~11531=58...(11) QD2 LEU 70 + HB2 MET 42 OK 77 77 100 100 2.8-3.8 2.1/11365=99, ~11368=66...(12) QD1 LEU 70 + HB2 MET 42 OK 65 65 100 100 2.7-3.8 2.1/11366=67...(12) 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 3.0-4.0 9435/3.0=88, 9431/4.2=69...(13) QG2 ILE 54 - HB2 MET 42 far 0 100 0 - 7.2-9.1 QG2 VAL 32 - HB2 MET 42 far 0 73 0 - 7.3-7.8 QD2 LEU 6 - HB2 MET 42 far 0 87 0 - 7.8-8.7 QD1 LEU 63 - HB2 MET 42 far 0 98 0 - 9.8-10.4 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 3.8-4.5 ~11531=69, ~10993=68...(10) QG1 VAL 32 - HB3 MET 42 far 0 92 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 9420 from cnoeabs.peaks (1.52, 2.66, 32.47 ppm; 5.41 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 38 + HG2 MET 42 OK 100 100 100 100 2.6-3.8 9379=100, 9378/1.8=92...(11) HG2 LYS 43 - HG2 MET 42 far 0 99 0 - 5.6-6.9 HB3 ARG 30 - HG2 MET 42 far 0 99 0 - 7.5-9.3 HG LEU 6 - HG2 MET 42 far 0 100 0 - 8.8-10.1 HB2 LEU 6 - HG2 MET 42 far 0 92 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 9421 from cnoeabs.peaks (0.90, 2.66, 32.47 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 70 + HG2 MET 42 OK 100 100 100 100 2.0-3.3 11368=100, 11369/1.8=85...(19) QD2 LEU 38 + HG2 MET 42 OK 30 77 40 99 3.4-4.8 2.1/10992=55...(9) QD2 LEU 70 - HG2 MET 42 far 15 100 15 - 4.0-4.8 HG13 ILE 54 - HG2 MET 42 far 0 97 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 9422 from cnoeabs.peaks (1.52, 2.76, 32.47 ppm; 5.32 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 38 + HG3 MET 42 OK 100 100 100 100 2.8-3.7 2.1/11531=94, 9378=89...(10) HG2 LYS 43 - HG3 MET 42 far 0 92 0 - 5.9-6.9 HB3 ARG 30 - HG3 MET 42 far 0 94 0 - 7.8-10.1 HG LEU 6 - HG3 MET 42 far 0 100 0 - 8.3-9.9 HB2 LEU 6 - HG3 MET 42 far 0 77 0 - 8.9-10.5 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 1.9-3.4 11368/1.8=86, 11369=85...(18) QD2 LEU 70 + HG3 MET 42 OK 95 100 95 100 3.2-5.2 2.1/11369=66...(17) QD2 LEU 38 + HG3 MET 42 OK 71 77 95 97 3.3-4.8 2.1/11531=65...(8) 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 2.6-3.4 9702/9430=72...(11) HB3 SER 35 - QE MET 42 far 0 94 0 - 9.8-10.8 Violated in 0 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 99 5.2-6.0 11044/3.3=65...(5) HA2 GLY 75 - QE MET 42 far 0 92 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 9426 from cnoeabs.peaks (3.74, 1.87, 17.86 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 71 + QE MET 42 OK 100 100 100 100 3.1-4.1 4.2/9432=83...(6) Violated in 0 structures by 0.00 A. Peak 9427 from cnoeabs.peaks (2.40, 1.87, 17.86 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.92: HG3 MET 67 + QE MET 42 OK 92 100 100 92 2.0-3.5 9720/9432=58...(8) HG2 GLU 66 - QE MET 42 far 0 97 0 - 8.2-8.8 HG3 GLN 62 - QE MET 42 far 0 81 0 - 9.9-10.6 Violated in 0 structures by 0.00 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: QB ALA 46 - QE MET 42 far 0 99 0 - 5.6-6.4 HB VAL 78 - QE MET 42 far 0 87 0 - 5.7-6.3 HG2 LYS 65 - QE MET 42 far 0 99 0 - 9.3-10.4 HG12 ILE 3 - QE MET 42 far 0 73 0 - 9.6-11.3 Violated in 20 structures by 1.74 A. Peak 9429 from cnoeabs.peaks (1.46, 1.87, 17.86 ppm; 3.91 A): 0 out of 9 assignments used, quality = 0.00: HB2 LEU 74 - QE MET 42 far 0 96 0 - 4.8-6.0 HG LEU 4 - QE MET 42 far 0 97 0 - 4.9-5.5 HB3 LEU 38 - QE MET 42 far 0 100 0 - 5.7-6.9 HG3 ARG 30 - QE MET 42 far 0 98 0 - 6.2-8.9 HG2 LYS 39 - QE MET 42 far 0 100 0 - 6.7-8.7 HB3 LEU 6 - QE MET 42 far 0 100 0 - 7.1-7.6 HG2 LYS 49 - QE MET 42 far 0 100 0 - 7.6-14.7 HG12 ILE 57 - QE MET 42 far 0 100 0 - 8.7-9.7 HG3 LYS 49 - QE MET 42 far 0 100 0 - 9.0-14.5 Violated in 20 structures by 0.48 A. Peak 9430 from cnoeabs.peaks (0.90, 1.87, 17.86 ppm; 3.49 A increased from 3.29 A): 1 out of 6 assignments used, quality = 0.94: QD1 LEU 70 + QE MET 42 OK 94 97 100 97 2.9-3.5 11368/3.3=45...(16) QD2 LEU 70 - QE MET 42 far 0 99 0 - 4.1-5.0 QD2 LEU 38 - QE MET 42 far 0 92 0 - 4.9-5.4 HG13 ILE 54 - QE MET 42 far 0 87 0 - 7.1-8.0 QG2 VAL 104 - QE MET 42 far 0 77 0 - 9.7-10.1 QG2 VAL 29 - QE MET 42 far 0 100 0 - 9.9-10.9 Violated in 1 structures by 0.00 A. Peak 9431 from cnoeabs.peaks (0.76, 1.87, 17.86 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.62: QD1 LEU 45 + QE MET 42 OK 62 99 100 63 1.9-2.7 9435/3804=29, 4022=18...(6) QG2 ILE 54 - QE MET 42 far 0 87 0 - 4.7-5.8 QG2 VAL 32 - QE MET 42 far 0 99 0 - 4.9-6.1 QD1 LEU 63 - QE MET 42 far 0 70 0 - 7.4-8.3 QD1 LEU 80 - QE MET 42 far 0 70 0 - 7.4-7.9 QD2 LEU 80 - QE MET 42 far 0 65 0 - 8.0-8.5 QD1 ILE 7 - QE MET 42 far 0 94 0 - 8.8-9.4 QG2 ILE 7 - QE MET 42 far 0 81 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9432 from cnoeabs.peaks (0.67, 1.87, 17.86 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.77: QD1 ILE 71 + QE MET 42 OK 77 87 100 88 2.3-3.0 11630=61, 2.1/11685=33...(7) QD1 ILE 56 - QE MET 42 far 0 99 0 - 3.4-4.3 QD2 LEU 4 - QE MET 42 far 0 87 0 - 4.4-4.5 QG2 ILE 97 - QE MET 42 far 0 73 0 - 8.2-8.9 QD1 LEU 55 - QE MET 42 far 0 65 0 - 8.7-9.4 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 2.0-2.3 8078/4013=92...(12) HA GLU 48 - HG LEU 45 far 0 87 0 - 7.9-9.4 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 2.0-2.6 8078/4020=62...(13) HA GLU 48 - QD1 LEU 45 far 0 65 0 - 7.5-9.0 HA MET 42 - QD1 LEU 63 far 0 31 0 - 9.6-10.3 Violated in 0 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 3.2-3.7 8078/3.1=90...(12) HA GLU 48 - QD2 LEU 45 far 10 100 10 - 6.0-7.5 HA SER 72 - QD2 LEU 45 far 0 94 0 - 9.8-11.5 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 = 0.90: HE3 LYS 2 + QD2 LEU 45 OK 90 99 100 91 2.4-4.7 1.8/11504=36, ~9439=33...(8) Violated in 3 structures by 0.00 A. Peak 9438 from cnoeabs.peaks (2.73, 0.72, 23.70 ppm; 6.20 A): 0 out of 1 assignment used, quality = 0.00: HE3 LYS 53 - QD2 LEU 45 far 0 70 0 - 7.4-11.2 Violated in 20 structures by 3.95 A. Peak 9439 from cnoeabs.peaks (2.74, 0.75, 25.49 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.71: HE2 LYS 2 + QD1 LEU 45 OK 56 65 90 95 2.4-5.3 ~9437=61, 1.8/9440=40...(10) HB2 ASP 60 + QD1 LEU 63 OK 34 34 100 100 2.2-3.2 9639/2.1=75, 9638/3.1=61...(17) HG3 GLU 37 - QD1 LEU 63 far 0 27 0 - 5.3-5.6 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 88 90 100 98 2.5-6.1 1.8/9439=62, ~11222=55...(7) HB3 ASN 59 + QD1 LEU 63 OK 23 36 75 84 5.0-7.1 1383/9613=60...(3) 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 3.1-3.7 4623/1.8=100...(10) 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 3.7-4.3 2.2/9443=97, ~4735=78...(13) Violated in 0 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 2.5-3.3 2.2/4611=83, 4623=82...(9) 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 3.1-3.6 2.2/4618=66, 4623/3.1=62...(12) QE TYR 102 - QD1 LEU 45 far 0 90 0 - 8.1-8.6 QD PHE 79 - QD1 LEU 45 far 0 77 0 - 9.1-9.7 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 3.0-3.6 2.2/9445=87...(12) 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 far 0 97 0 - 6.4-9.8 Violated in 20 structures by 2.83 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 4.5-5.4 4618/2.1=98, 2.2/9450=85...(13) Violated in 0 structures by 0.00 A. Peak 9450 from cnoeabs.peaks (6.71, 0.72, 23.70 ppm; 5.12 A increased from 4.55 A): 1 out of 2 assignments used, quality = 0.92: QE TYR 76 + QD2 LEU 45 OK 92 92 100 100 4.2-5.1 9445/2.1=88, 4623/3.1=72...(11) QD PHE 79 - QD2 LEU 45 far 0 77 0 - 9.9-11.0 Violated in 1 structures by 0.00 A. Peak 9452 from cnoeabs.peaks (6.71, 1.55, 18.88 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.40: QE TYR 76 + QB ALA 46 OK 40 92 100 44 3.9-5.1 10189=28, 4629/9461=21 Violated in 0 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 = 0.98: H LEU 45 + QB ALA 46 OK 98 100 100 98 4.3-4.5 1890/1301=95...(3) Violated in 0 structures by 0.00 A. Peak 9454 from cnoeabs.peaks (1.89, 4.25, 53.67 ppm; 5.50 A): 1 out of 7 assignments used, quality = 0.69: HB2 LEU 45 + HA ALA 46 OK 69 70 100 100 4.0-4.2 ~274=70, 273/3.0=68...(9) HB2 LYS 49 - HA ALA 46 far 4 87 5 - 4.8-9.3 HG LEU 45 - HA ALA 46 far 0 99 0 - 6.2-6.2 HB3 LYS 43 - HA ALA 46 far 0 81 0 - 7.4-7.6 HB3 LYS 44 - HA ALA 46 far 0 61 0 - 7.7-8.3 HB2 LYS 73 - HA ALA 46 far 0 96 0 - 8.0-11.0 HB3 LYS 73 - HA ALA 46 far 0 97 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 9455 from cnoeabs.peaks (0.83, 4.25, 53.67 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.21: QD2 LEU 74 + HA ALA 46 OK 21 94 100 22 2.8-3.7 9461/2.1=22 QD1 LEU 74 - HA ALA 46 far 0 90 0 - 4.2-5.2 QG2 ILE 71 - HA ALA 46 far 0 90 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 9457 from cnoeabs.peaks (2.49, 1.55, 18.88 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.90: HG3 GLU 47 + QB ALA 46 OK 90 92 100 98 3.5-4.2 11239=84, 1.8/9458=65 Violated in 1 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 4.4-4.7 1.8/9457=89, 11240=86 Violated in 1 structures by 0.00 A. Peak 9459 from cnoeabs.peaks (2.08, 1.55, 18.88 ppm; 5.67 A): 0 out of 0 assignments used, quality = 0.00: Peak 9461 from cnoeabs.peaks (0.81, 1.55, 18.88 ppm; 3.21 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 74 - QB ALA 46 lone 14 87 100 16 2.1-2.9 9455/2.1=14, 4629/9452=3 QD1 LEU 74 - QB ALA 46 far 0 92 0 - 3.3-4.0 QG2 ILE 71 - QB ALA 46 far 0 92 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (4.43, 1.13, 31.45 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.99: HA TYR 27 + HB3 LYS 53 OK 99 99 100 100 2.5-4.2 11226=99, 11225/1.8=76 Violated in 0 structures by 0.00 A. Peak 9469 from cnoeabs.peaks (0.65, 1.27, 28.78 ppm; 4.54 A): 1 out of 7 assignments used, quality = 0.80: QD1 LEU 4 + HD2 LYS 2 OK 80 92 100 86 3.0-4.5 11235=78, 2.1/11557=23...(4) QD1 ILE 54 - HD2 LYS 2 far 0 82 0 - 4.8-7.2 QD1 ILE 54 - HD3 LYS 53 far 0 92 0 - 6.1-7.7 QD1 ILE 56 - HD2 LYS 2 far 0 63 0 - 6.7-8.7 QD1 ILE 71 - HD2 LYS 2 far 0 84 0 - 7.2-9.0 QG1 VAL 22 - HD3 LYS 53 far 0 97 0 - 7.7-10.4 QD1 LEU 4 - HD3 LYS 53 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 9470 from cnoeabs.peaks (0.74, 1.27, 28.78 ppm; 4.57 A): 2 out of 12 assignments used, quality = 0.83: QD2 LEU 45 + HD2 LYS 2 OK 66 76 95 91 2.6-5.0 9437/3.0=51...(8) QD1 LEU 45 + HD2 LYS 2 OK 49 60 95 86 3.0-5.0 ~9437=41, 11504/3.0=28...(7) QG2 VAL 78 - HD2 LYS 2 far 0 76 0 - 4.9-6.8 QG2 ILE 54 - HD2 LYS 2 far 0 84 0 - 4.9-7.5 QG2 VAL 78 - HD3 LYS 53 far 0 87 0 - 7.7-9.9 QG1 VAL 117 - HD3 LYS 53 far 0 73 0 - 7.9-10.4 QG2 ILE 54 - HD3 LYS 53 far 0 94 0 - 8.0-9.0 QD2 LEU 6 - HD2 LYS 2 far 0 93 0 - 8.9-10.5 QD2 LEU 55 - HD3 LYS 53 far 0 100 0 - 9.0-10.9 QD2 LEU 45 - HD3 LYS 53 far 0 87 0 - 9.0-11.2 QD1 LEU 45 - HD3 LYS 53 far 0 70 0 - 9.7-11.3 QD2 LEU 55 - HD2 LYS 2 far 0 93 0 - 9.8-12.2 Violated in 0 structures by 0.00 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 4 87 5 - 5.7-9.5 QE PHE 79 - HG2 LYS 53 far 4 77 5 - 6.0-10.5 Violated in 17 structures by 0.48 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 18 100 25 72 4.7-10.4 9476/1.8=71 Violated in 15 structures by 1.66 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 2.3-5.3 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): 1 out of 2 assignments used, quality = 0.30: QD PHE 51 + HD3 LYS 53 OK 30 99 35 87 5.3-10.2 9473/1.8=87 QD PHE 51 - HD2 LYS 2 far 14 90 15 - 3.5-8.2 Violated in 14 structures by 1.27 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 2.0-4.8 4593=86, 9475/1.8=66...(8) QE TYR 27 - HD2 LYS 2 far 0 79 0 - 8.3-11.1 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 4.3-4.8 2.2/4661=93...(10) QD TYR 102 - QD1 ILE 5 far 0 76 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 9486 from cnoeabs.peaks (5.45, 1.68, 41.95 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 4 + HB ILE 54 OK 94 94 100 100 4.0-4.6 3.0/11328=80, 9047=78...(8) Violated in 0 structures by 0.00 A. Peak 9488 from cnoeabs.peaks (4.72, 0.75, 17.84 ppm; 5.04 A increased from 4.75 A): 1 out of 1 assignment used, quality = 0.66: HA ARG 30 + QG2 ILE 54 OK 66 70 100 95 4.2-5.0 3.9/11329=82...(4) Violated in 0 structures by 0.00 A. Peak 9489 from cnoeabs.peaks (5.04, 0.75, 17.84 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.90: HA ILE 56 + QG2 ILE 54 OK 80 81 100 99 4.0-4.4 4.0/11706=75...(7) HA VAL 29 + QG2 ILE 54 OK 52 100 80 65 4.4-5.0 9506/327=48...(4) 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 4.6-5.2 9047/2.1=97, 9485/4.0=88...(5) 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 3.9-4.2 3.0/327=100...(10) Violated in 0 structures by 0.00 A. Peak 9492 from cnoeabs.peaks (6.73, 0.75, 17.84 ppm; 6.20 A): 0 out of 2 assignments used, quality = 0.00: QE TYR 76 - QG2 ILE 54 far 0 90 0 - 7.4-8.5 QD PHE 79 - QG2 ILE 54 far 0 98 0 - 9.0-9.6 Violated in 20 structures by 1.18 A. Peak 9494 from cnoeabs.peaks (8.35, 0.75, 17.84 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.87: H GLN 28 + QG2 ILE 54 OK 87 87 100 100 3.5-4.8 9236=82, 9232/3.2=72...(5) H PHE 51 - QG2 ILE 54 far 0 94 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 9495 from cnoeabs.peaks (4.72, 0.64, 13.41 ppm; 4.65 A): 0 out of 1 assignment used, quality = 0.00: HA ARG 30 - QD1 ILE 54 far 0 73 0 - 5.7-6.6 Violated in 20 structures by 1.57 A. Peak 9496 from cnoeabs.peaks (5.45, 0.64, 13.41 ppm; 5.88 A): 2 out of 2 assignments used, quality = 0.85: HA LEU 4 + QD1 ILE 5 OK 66 69 100 97 4.0-4.6 3.6/13=87, 10662/9009=56...(4) HA LEU 4 + QD1 ILE 54 OK 56 94 60 100 5.9-6.2 9486/3.2=86...(4) 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 1 assignment used, quality = 0.00: HB3 PHE 51 - QD1 ILE 54 far 0 81 0 - 7.1-8.9 Violated in 20 structures by 1.96 A. Peak 9498 from cnoeabs.peaks (2.92, 0.75, 17.84 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.96: HD3 ARG 30 + QG2 ILE 54 OK 96 96 100 100 2.1-4.3 3.0/11329=88, 9263=83...(9) HE2 LYS 44 - QG2 ILE 54 far 5 99 5 - 4.1-9.6 HE3 LYS 44 - QG2 ILE 54 far 5 99 5 - 4.6-9.8 Violated in 0 structures by 0.00 A. Peak 9499 from cnoeabs.peaks (2.06, 0.64, 13.41 ppm; 3.76 A): 2 out of 9 assignments used, quality = 0.91: HB2 GLN 28 + QD1 ILE 54 OK 85 98 100 86 1.9-2.7 1.8/11481=52...(5) HB3 PHE 79 + QD1 ILE 5 OK 41 41 100 100 2.0-2.7 10943/3.0=43...(20) HG3 GLU 52 - QD1 ILE 54 far 13 87 15 - 2.7-5.6 HB3 GLU 48 - QD1 ILE 54 far 0 73 0 - 5.0-10.7 HB2 GLU 48 - QD1 ILE 54 far 0 73 0 - 5.3-10.4 HB VAL 117 - QD1 ILE 5 far 0 69 0 - 6.3-6.9 HB2 GLU 47 - QD1 ILE 54 far 0 100 0 - 8.3-10.2 HB2 GLN 28 - QD1 ILE 5 far 0 74 0 - 8.7-10.5 HB3 MET 67 - QD1 ILE 5 far 0 72 0 - 9.4-10.1 Violated in 0 structures by 0.00 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 99 100 100 100 3.0-3.6 9058=88, 10939/4.0=61...(6) HB2 ARG 30 - HA LEU 55 far 0 99 0 - 6.8-7.6 HB2 GLU 52 - HA LEU 55 far 0 97 0 - 9.7-11.3 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 = 0.72: QG2 VAL 29 + HB2 LEU 55 OK 72 96 100 75 3.2-3.8 3.2/9513=38...(5) Violated in 1 structures by 0.00 A. Peak 9503 from cnoeabs.peaks (0.86, 1.32, 45.20 ppm; 3.93 A): 1 out of 6 assignments used, quality = 0.89: QG2 VAL 22 + HB3 LEU 55 OK 89 92 100 96 3.7-4.0 2.1/10866=46...(11) HG13 ILE 5 - HB3 LEU 55 far 0 65 0 - 4.4-5.3 HG13 ILE 57 - HB3 LEU 55 far 0 99 0 - 6.3-7.0 QG2 VAL 117 - HB3 LEU 55 far 0 100 0 - 6.8-7.6 QG2 ILE 15 - HB3 LEU 55 far 0 70 0 - 8.2-9.0 QG2 THR 9 - HB3 LEU 55 far 0 100 0 - 9.7-10.0 Violated in 4 structures by 0.00 A. Peak 9504 from cnoeabs.peaks (3.68, 0.74, 26.63 ppm; 4.67 A increased from 4.40 A): 1 out of 1 assignment used, quality = 0.56: HA LYS 19 + QD2 LEU 55 OK 56 100 100 56 3.8-4.6 10859/11118=42, 3.0/9528=23 Violated in 0 structures by 0.00 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...(4) HA VAL 29 + HA LEU 55 OK 89 90 100 100 5.1-5.6 9506/3.0=95, 9516/3.0=72...(7) 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 2.5-3.1 3.2/9502=81, 9516/1.8=62...(6) 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 99 4.8-5.0 3.6/1357=97, ~9491=47...(4) 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 3.9-5.3 4583/1.8=100...(7) QD PHE 120 - HB2 LEU 55 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9516 from cnoeabs.peaks (5.04, 1.32, 45.20 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.96: HA VAL 29 + HB3 LEU 55 OK 96 100 100 96 4.0-4.7 9513/1.8=63, ~9502=56...(6) HA ILE 56 - HB3 LEU 55 far 0 81 0 - 5.8-5.9 Violated in 0 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 2.2-3.7 4583=96, 9515/1.8=60...(10) QD PHE 120 - HB3 LEU 55 far 0 96 0 - 8.9-9.7 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 4.0-5.6 4/3.2=97, 2/3.8=97...(7) H LEU 4 - HG LEU 55 far 0 100 0 - 7.3-7.8 H LEU 81 - HG LEU 55 far 0 73 0 - 8.4-9.1 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 3.3-3.7 3.0/337=88...(7) HA VAL 29 + QD2 LEU 55 OK 90 98 100 92 3.3-3.9 9516/3.1=56, 9506/4.7=44...(6) Violated in 0 structures by 0.00 A. Peak 9522 from cnoeabs.peaks (6.79, 0.74, 26.63 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 27 + QD2 LEU 55 OK 99 99 100 100 4.4-5.9 9523/2.1=99, 4583/3.1=96...(8) QD PHE 120 - QD2 LEU 55 far 0 100 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 9523 from cnoeabs.peaks (6.79, 0.68, 26.27 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.98: QD TYR 27 + QD1 LEU 55 OK 98 99 100 99 2.2-4.0 4583/3.1=77...(9) QD TYR 27 - QD2 LEU 4 far 5 53 10 - 4.8-5.8 QD PHE 120 - QD1 LEU 55 far 0 100 0 - 5.9-6.5 QD PHE 120 - QD2 LEU 4 far 0 55 0 - 9.4-9.8 Violated in 0 structures by 0.00 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 2.3-2.6 9057=96, 3.9/9501=57...(7) H VAL 29 - HA LEU 55 far 0 90 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 9527 from cnoeabs.peaks (8.78, 0.74, 26.63 ppm; 5.66 A): 1 out of 4 assignments used, quality = 0.76: H ILE 5 + QD2 LEU 55 OK 76 77 100 98 4.2-4.7 9529/337=77...(7) H VAL 29 - QD2 LEU 55 far 0 99 0 - 5.8-6.3 H ILE 18 - QD2 LEU 55 far 0 99 0 - 6.6-7.0 H ASN 59 - QD2 LEU 55 far 0 81 0 - 8.7-9.1 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 96 100 100 96 5.3-5.9 3.0/9504=90, 10781/11118=61 H ILE 57 + QD2 LEU 55 OK 89 90 100 100 3.7-4.1 4.6/337=88, 4.6/11136=85...(5) 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 4.2-4.8 3.6/9536=84, 11344=67...(4) Violated in 0 structures by 0.00 A. Peak 9534 from cnoeabs.peaks (8.43, 0.69, 17.09 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.95: H VAL 32 + QG2 ILE 56 OK 95 96 100 100 3.5-4.3 10677=91, 1205/10791=73...(5) H GLN 62 - QG2 ILE 56 far 0 100 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 9536 from cnoeabs.peaks (5.34, 1.69, 39.82 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.95: HA LEU 6 + HB ILE 56 OK 95 99 100 96 3.0-3.8 9535/1364=68, 10950=68...(4) Violated in 0 structures by 0.00 A. Peak 9537 from cnoeabs.peaks (5.64, 1.69, 39.82 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.97: HA LEU 55 + HB ILE 56 OK 97 100 100 97 4.6-4.7 332/1364=96, 9509/3.0=30 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 = 1.00: HD3 ARG 30 + QD1 ILE 56 OK 100 100 100 100 2.2-5.1 3.6/9550=95...(6) HE2 LYS 44 - QD1 ILE 56 far 5 100 5 - 5.9-10.1 HE3 LYS 44 - QD1 ILE 56 far 0 100 0 - 6.9-10.2 Violated in 0 structures by 0.00 A. Peak 9547 from cnoeabs.peaks (1.86, 0.66, 12.57 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.57: QE MET 67 + QD1 ILE 56 OK 36 57 100 62 3.2-3.5 10946/4491=45...(4) QE MET 42 + QD1 ILE 56 OK 33 98 50 66 3.4-4.3 11532/2.1=65, 3806/11236=1 HB2 LEU 63 - QD1 ILE 56 far 0 90 0 - 8.0-8.9 HG LEU 70 - QD1 ILE 56 far 0 87 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 9548 from cnoeabs.peaks (2.11, 0.66, 12.57 ppm; 6.20 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 38 - QD1 ILE 56 far 0 99 0 - 6.8-7.6 HB3 GLU 66 - QD1 ILE 56 far 0 70 0 - 8.6-9.4 HG2 GLU 52 - QD1 ILE 56 far 0 92 0 - 8.6-11.5 Violated in 20 structures by 0.71 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 0 98 0 - 7.8-9.3 Violated in 20 structures by 3.10 A. Peak 9550 from cnoeabs.peaks (1.52, 0.66, 12.57 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.93: HB3 ARG 30 + QD1 ILE 56 OK 93 94 100 99 1.9-2.2 10947/4491=67...(11) HG LEU 38 - QD1 ILE 56 far 0 100 0 - 5.5-6.7 HB2 LEU 6 - QD1 ILE 56 far 0 77 0 - 6.4-7.3 HG LEU 6 - QD1 ILE 56 far 0 100 0 - 6.9-7.5 HG2 LYS 43 - QD1 ILE 56 far 0 92 0 - 8.6-9.7 QB ALA 124 - QD1 ILE 56 far 0 61 0 - 9.6-10.3 Violated in 0 structures by 0.00 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 - 7.6-8.8 QB ALA 46 - HG13 ILE 56 far 0 94 0 - 9.8-10.6 Violated in 20 structures by 4.05 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 3.6-5.7 3.0/9270=98, ~9567=71...(12) HB2 ASP 31 + HB ILE 57 OK 100 100 100 100 4.0-5.9 3.0/9270=98, 181/9577=78...(12) HG3 GLU 41 - HB ILE 57 far 0 94 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 9555 from cnoeabs.peaks (1.58, 0.71, 13.94 ppm; 3.64 A): 3 out of 4 assignments used, quality = 0.86: HG3 LYS 19 + QD1 ILE 57 OK 67 84 95 84 2.0-4.2 1.8/10785=37...(9) HD3 LYS 19 + QD1 ILE 57 OK 41 90 55 83 2.2-5.1 3.0/10785=30...(8) HD2 LYS 19 + QD1 ILE 57 OK 30 90 40 84 2.8-4.5 3.0/10785=30, 10787=27...(8) HG LEU 55 - QD1 ILE 57 far 0 70 0 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 9556 from cnoeabs.peaks (1.92, 0.71, 13.94 ppm; 4.98 A increased from 3.99 A): 1 out of 4 assignments used, quality = 0.96: HB ILE 15 + QD1 ILE 57 OK 96 99 100 97 4.5-4.7 3.0/10773=85, ~11687=30...(10) HB3 LYS 17 - QD1 ILE 57 far 0 100 0 - 6.9-7.2 HB2 LEU 81 - QD1 ILE 57 far 0 100 0 - 7.7-8.4 HG2 MET 121 - QD1 ILE 57 far 0 100 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 9557 from cnoeabs.peaks (2.45, 0.71, 13.94 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.94: HB2 ASP 31 + QD1 ILE 57 OK 77 77 100 100 4.9-6.2 3.0/9573=89, ~9270=63...(9) HB3 ASP 31 + QD1 ILE 57 OK 73 73 100 100 3.9-5.8 3.0/9573=89, ~9270=63...(9) HG3 GLU 41 - QD1 ILE 57 far 0 97 0 - 8.5-10.9 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 = 0.39: HE3 LYS 19 + QD1 ILE 57 OK 22 96 25 92 2.7-5.1 11033=44, 1.8/11033=36...(9) HE2 LYS 19 + QD1 ILE 57 OK 22 96 25 91 3.0-5.5 11033=44, 1.8/11033=37...(9) HB3 ASN 33 - QD1 ILE 57 far 0 100 0 - 9.1-10.3 Violated in 13 structures by 0.27 A. Peak 9559 from cnoeabs.peaks (3.21, 0.71, 13.94 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.96: HA ILE 15 + QD1 ILE 57 OK 96 97 100 99 2.9-3.3 10773=96, 3.0/9556=56...(8) HB2 PHE 120 - QD1 ILE 57 far 0 98 0 - 9.8-10.5 Violated in 0 structures by 0.00 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 3.0-4.0 3.8/10785=59...(9) 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): 1 out of 7 assignments used, quality = 0.35: HB3 PHE 79 + HG13 ILE 5 OK 35 35 100 100 4.7-5.4 10943/3.2=93, ~10740=92...(18) HB VAL 117 - HG13 ILE 5 far 0 59 0 - 7.9-8.8 HB2 GLN 28 - HG13 ILE 5 far 0 64 0 - 8.0-10.2 HB VAL 117 - HG13 ILE 57 far 0 94 0 - 8.6-9.2 HB3 PHE 79 - HG13 ILE 57 far 0 61 0 - 9.9-10.7 HB2 GLN 28 - HG13 ILE 57 far 0 98 0 - 9.9-11.3 HB3 MET 67 - HG13 ILE 57 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 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: HB3 ASN 33 - QG2 ILE 57 far 0 81 0 - 7.5-8.5 HB2 TYR 27 - QG2 ILE 57 far 0 87 0 - 8.8-9.8 HE3 LYS 61 - QG2 ILE 57 far 0 100 0 - 9.3-13.9 HE2 LYS 61 - QG2 ILE 57 far 0 90 0 - 9.4-14.4 Violated in 20 structures by 1.66 A. Peak 9566 from cnoeabs.peaks (5.04, 0.84, 17.77 ppm; 5.71 A increased from 4.81 A): 1 out of 2 assignments used, quality = 0.80: HA ILE 56 + QG2 ILE 57 OK 80 81 100 99 5.4-5.4 339/4.0=76, 9568/2.1=63...(6) HA VAL 29 - QG2 ILE 57 far 0 100 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 9567 from cnoeabs.peaks (5.20, 0.84, 17.77 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.93: HA ASP 31 + QG2 ILE 57 OK 93 94 100 99 4.0-4.6 9270/2.1=79, 9570/4.0=62...(9) HA ILE 7 - QG2 ILE 57 far 0 57 0 - 5.2-6.1 Violated in 0 structures by 0.00 A. Peak 9568 from cnoeabs.peaks (5.05, 1.82, 38.95 ppm; 5.67 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 56 + HB ILE 57 OK 100 100 100 100 4.5-4.7 339/1371=99, 9575/2.9=91...(7) HA VAL 29 - HB ILE 57 far 9 90 10 - 5.6-6.4 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 2.6-3.5 9270=100, 9570/1371=66...(9) 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 = 0.89: HA ILE 56 + QD1 ILE 57 OK 74 81 95 96 4.4-5.0 9575/2.1=54, 339/4.9=53...(6) HA VAL 29 + QD1 ILE 57 OK 57 100 100 57 3.7-4.3 3.6/11362=49, 3.0/9242=15 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 4.1-4.7 9270/3.2=80, 9570/4.9=63...(9) 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): 1 out of 2 assignments used, quality = 0.95: HA ILE 56 + HG12 ILE 57 OK 95 100 100 95 3.4-3.7 339/1373=74, 9568/2.9=40...(7) HA VAL 29 - HG12 ILE 57 far 8 81 10 - 4.3-5.3 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 1 assignment used, quality = 1.00: H VAL 32 + HB ILE 57 OK 100 100 100 100 3.8-4.5 179/9270=90...(6) Violated in 0 structures by 0.00 A. Peak 9578 from cnoeabs.peaks (8.43, 0.84, 17.77 ppm; 6.14 A): 1 out of 3 assignments used, quality = 0.96: H VAL 32 + QG2 ILE 57 OK 96 96 100 100 4.2-5.0 9577/2.1=90, 3.6/9567=88...(6) H ASN 10 - QG2 ILE 57 far 0 97 0 - 6.8-7.5 H GLN 83 - QG2 ILE 57 far 0 99 0 - 7.6-8.3 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 3 assignments used, quality = 0.67: H THR 9 + QG2 ILE 57 OK 67 100 100 68 3.5-4.3 9127/348=67 H VAL 22 - QG2 ILE 57 far 0 99 0 - 8.4-9.1 H LYS 65 - QG2 ILE 57 far 0 99 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 9581 from cnoeabs.peaks (8.93, 0.71, 13.94 ppm; 6.00 A increased from 5.65 A): 1 out of 1 assignment used, quality = 0.80: H ILE 7 + QD1 ILE 57 OK 80 100 100 80 5.3-6.0 9078/4.2=76, 10672/2.1=17 Violated in 1 structures by 0.00 A. Peak 9582 from cnoeabs.peaks (7.85, 3.42, 66.61 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.90: H ASP 60 + HB3 SER 58 OK 90 90 100 100 3.9-4.3 9632/1.8=86, 9633=86...(8) H LYS 39 - HB3 SER 58 far 0 70 0 - 8.9-9.5 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 1 assignment used, quality = 0.99: H ASP 60 + HB2 SER 58 OK 99 99 100 100 3.8-4.5 9632=98, 9630/2.8=91...(8) 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 = 0.52: H VAL 32 + HA SER 58 OK 52 61 100 85 3.3-4.0 9285=51, 9534/9608=34...(5) H GLN 62 - HA SER 58 far 0 87 0 - 8.4-8.9 H ASN 10 - HA SER 58 far 0 65 0 - 9.3-10.0 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 2.2-2.6 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 = 0.87: HA ASN 8 + HB3 SER 58 OK 87 100 100 87 5.7-6.2 9589/4.0=87 Violated in 1 structures by 0.00 A. Peak 9596 from cnoeabs.peaks (1.87, 3.78, 66.61 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.97: HB2 LEU 63 + HB2 SER 58 OK 86 99 95 91 3.6-4.6 3.1/11547=39...(7) QE MET 67 + HB2 SER 58 OK 79 81 100 98 3.2-4.0 9728=69, 9727/1.8=65...(9) QE MET 42 - HB2 SER 58 far 0 100 0 - 7.5-8.5 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 = 0.90: HB VAL 32 + HB2 SER 58 OK 69 100 70 100 4.4-5.1 9602/1.8=59, ~9604=58...(10) HB2 LEU 64 + HB2 SER 58 OK 68 73 100 93 3.1-3.8 3.1/9599=63, 1.8/9598=42...(8) Violated in 0 structures by 0.00 A. Peak 9598 from cnoeabs.peaks (1.63, 3.78, 66.61 ppm; 5.58 A): 2 out of 5 assignments used, quality = 0.99: HB3 LEU 64 + HB2 SER 58 OK 98 100 100 98 4.5-5.2 3.1/9599=81...(6) HG LEU 64 + HB2 SER 58 OK 40 92 45 98 5.0-5.9 2.1/9599=92, ~11268=47...(4) HG LEU 63 - HB2 SER 58 far 0 87 0 - 5.8-6.7 HD3 LYS 65 - HB2 SER 58 far 0 61 0 - 9.2-10.9 HB ILE 5 - HB2 SER 58 far 0 81 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 9599 from cnoeabs.peaks (0.80, 3.78, 66.61 ppm; 4.77 A increased from 4.24 A): 1 out of 3 assignments used, quality = 0.69: QD1 LEU 64 + HB2 SER 58 OK 69 84 100 82 4.1-4.8 3.1/9598=36, ~11268=34...(6) QD2 LEU 64 - HB2 SER 58 far 0 65 0 - 5.6-6.2 QG1 VAL 29 - HB2 SER 58 far 0 100 0 - 9.1-10.0 Violated in 3 structures by 0.00 A. Peak 9600 from cnoeabs.peaks (0.72, 3.78, 66.61 ppm; 4.34 A): 2 out of 8 assignments used, quality = 0.94: QD1 LEU 6 + HB2 SER 58 OK 87 99 100 88 3.3-4.2 11562=73, 10965/9598=24...(6) QD2 LEU 6 + HB2 SER 58 OK 52 77 100 67 3.4-4.4 2.1/11562=56...(6) QD2 LEU 63 - HB2 SER 58 far 0 90 0 - 5.3-6.0 QD2 LEU 55 - HB2 SER 58 far 0 73 0 - 7.0-7.6 QD1 ILE 57 - HB2 SER 58 far 0 84 0 - 7.0-7.3 QG2 VAL 78 - HB2 SER 58 far 0 99 0 - 9.0-10.1 QG2 ILE 18 - HB2 SER 58 far 0 100 0 - 9.3-10.3 QD2 LEU 81 - HB2 SER 58 far 0 81 0 - 9.3-10.2 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 2.8-3.7 9727=90, 9728/1.8=80...(7) HB2 LEU 63 + HB3 SER 58 OK 93 100 100 93 3.0-3.9 9596/1.8=41...(7) QE MET 42 - HB3 SER 58 far 0 99 0 - 7.3-8.3 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 2.9-3.5 2.1/9604=83...(8) HB2 LEU 68 - HB3 SER 58 far 0 77 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9603 from cnoeabs.peaks (1.63, 3.42, 66.61 ppm; 5.86 A increased from 5.21 A): 2 out of 3 assignments used, quality = 0.97: HG LEU 63 + HB3 SER 58 OK 96 97 100 99 4.9-5.6 ~11558=69, ~11547=66...(7) HB3 LEU 64 + HB3 SER 58 OK 29 100 30 98 5.5-6.6 ~9599=67, 9598/1.8=61...(7) HG LEU 64 - HB3 SER 58 far 0 77 0 - 6.4-7.4 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.78, 3.42, 66.61 ppm; 4.57 A increased from 4.07 A): 1 out of 7 assignments used, quality = 0.68: QG2 VAL 32 + HB3 SER 58 OK 68 70 100 98 4.2-4.6 2.1/9602=66, ~9287=39...(9) QD2 LEU 64 - HB3 SER 58 far 0 100 0 - 6.6-7.5 QD1 ILE 15 - HB3 SER 58 far 0 73 0 - 6.8-7.5 QD1 LEU 80 - HB3 SER 58 far 0 99 0 - 7.1-8.3 QD1 ILE 7 - HB3 SER 58 far 0 84 0 - 8.6-9.1 QD2 LEU 80 - HB3 SER 58 far 0 99 0 - 8.9-10.1 QD1 LEU 82 - HB3 SER 58 far 0 100 0 - 9.9-10.9 Violated in 1 structures by 0.00 A. Peak 9605 from cnoeabs.peaks (0.71, 3.42, 66.61 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.92: QG2 ILE 56 + HB3 SER 58 OK 74 77 100 96 3.5-3.8 11251=64, 10946/9727=44...(6) QD2 LEU 63 + HB3 SER 58 OK 70 100 75 94 4.3-5.2 11547/1.8=49, ~11558=42...(7) QD1 LEU 6 - HB3 SER 58 far 0 98 0 - 4.7-5.5 QD1 ILE 57 - HB3 SER 58 far 0 100 0 - 7.1-7.4 QG2 VAL 78 - HB3 SER 58 far 0 73 0 - 9.6-10.8 QG2 ILE 18 - HB3 SER 58 far 0 94 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9606 from cnoeabs.peaks (1.84, 5.01, 56.73 ppm; 4.81 A increased from 4.53 A): 1 out of 1 assignment used, quality = 0.77: HB ILE 57 + HA SER 58 OK 77 77 100 100 4.5-4.8 2.1/9607=74, ~348=59...(10) Violated in 0 structures by 0.00 A. Peak 9607 from cnoeabs.peaks (0.84, 5.01, 56.73 ppm; 4.90 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 57 + HA SER 58 OK 100 100 100 100 3.3-3.8 348/3.0=93, 2.1/9606=78...(10) QG2 ILE 15 - HA SER 58 far 0 98 0 - 5.4-6.2 HG13 ILE 57 - HA SER 58 far 0 65 0 - 6.4-6.6 QD2 LEU 82 - HA SER 58 far 0 73 0 - 7.9-8.9 QG2 ILE 5 - HA SER 58 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 9608 from cnoeabs.peaks (0.70, 5.01, 56.73 ppm; 5.14 A): 1 out of 5 assignments used, quality = 0.99: QG2 ILE 56 + HA SER 58 OK 99 99 100 99 4.4-4.9 11251/3.0=76...(6) QD1 LEU 6 - HA SER 58 far 0 70 0 - 5.6-6.5 QD2 LEU 63 - HA SER 58 far 0 90 0 - 5.6-6.7 QD1 ILE 57 - HA SER 58 far 0 94 0 - 6.0-6.2 QD1 LEU 55 - HA SER 58 far 0 81 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 9621 from cnoeabs.peaks (0.75, 2.87, 38.96 ppm; 5.22 A): 1 out of 9 assignments used, quality = 0.48: QD1 ILE 15 + HB3 ASN 59 OK 48 90 100 54 3.0-5.1 9176/3.5=42, 9617/3.5=20 QD1 LEU 63 - HB3 ASN 59 poor 17 87 25 79 5.0-7.1 9613/1383=55...(3) QG2 ILE 7 - HB3 ASN 59 far 0 94 0 - 6.9-9.3 QG2 VAL 32 - HB3 ASN 59 far 0 92 0 - 8.1-10.0 QD2 LEU 14 - HB3 ASN 59 far 0 92 0 - 8.3-10.3 QD2 LEU 6 - HB3 ASN 59 far 0 65 0 - 8.7-10.1 QD2 LEU 55 - HB3 ASN 59 far 0 70 0 - 9.2-10.9 QD1 ILE 7 - HB3 ASN 59 far 0 81 0 - 9.3-11.4 QG1 VAL 107 - HB3 ASN 59 far 0 92 0 - 9.8-12.4 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 2.3-4.0 9672/1.8=88...(8) 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 2.2-4.2 9672=100, 9673/1.8=96...(7) 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 2 assignments used, quality = 0.90: HB2 LEU 63 + HB2 ASP 60 OK 90 90 100 100 2.0-3.4 3.1/9641=81, 1.8/9676=80...(16) QE MET 67 - HB2 ASP 60 far 0 57 0 - 6.0-7.4 Violated in 0 structures by 0.00 A. Peak 9639 from cnoeabs.peaks (1.61, 2.73, 42.95 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.92: HG LEU 63 + HB2 ASP 60 OK 92 92 100 100 2.3-4.0 2.1/9641=90, 9679/1.8=73...(15) HB3 LEU 64 - HB2 ASP 60 far 0 61 0 - 5.4-7.3 Violated in 0 structures by 0.00 A. Peak 9640 from cnoeabs.peaks (1.42, 2.73, 42.95 ppm; 6.10 A): 1 out of 2 assignments used, quality = 0.90: HB3 LEU 63 + HB2 ASP 60 OK 90 90 100 100 3.6-4.9 1.8/9638=97, 3.1/9641=95...(15) HB3 LYS 61 - HB2 ASP 60 poor 14 70 35 59 5.6-7.0 4.6/11182=58, 9644/1.8=2 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 3 assignments used, quality = 0.92: QD1 LEU 63 + HB2 ASP 60 OK 92 92 100 100 2.2-3.2 9645/1.8=77, 2.1/9639=56...(17) QD1 LEU 6 - HB2 ASP 60 far 0 73 0 - 7.3-8.8 QD2 LEU 6 - HB2 ASP 60 far 0 99 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 9642 from cnoeabs.peaks (1.86, 2.57, 42.95 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.90: HB2 LEU 63 + HB3 ASP 60 OK 90 90 100 100 2.0-4.0 9638/1.8=88, 3.1/9645=87...(15) QE MET 67 - HB3 ASP 60 far 0 57 0 - 6.2-7.8 Violated in 0 structures by 0.00 A. Peak 9643 from cnoeabs.peaks (1.62, 2.57, 42.95 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 63 + HB3 ASP 60 OK 100 100 100 100 2.6-4.1 9679=91, 2.1/9645=90...(16) HB3 LEU 64 - HB3 ASP 60 far 0 96 0 - 5.6-7.2 Violated in 0 structures by 0.00 A. Peak 9644 from cnoeabs.peaks (1.43, 2.57, 42.95 ppm; 5.57 A increased from 5.24 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 63 + HB3 ASP 60 OK 99 99 100 100 3.7-5.5 9677=96, 9676/1.8=89...(15) HB3 LYS 61 - HB3 ASP 60 lone 4 100 60 6 4.8-6.9 9640/1.8=5 Violated in 0 structures by 0.00 A. Peak 9645 from cnoeabs.peaks (0.73, 2.57, 42.95 ppm; 4.23 A): 1 out of 3 assignments used, quality = 0.92: QD1 LEU 63 + HB3 ASP 60 OK 92 92 100 100 2.7-4.2 9641/1.8=76, 2.1/9643=55...(14) QD1 LEU 6 - HB3 ASP 60 far 0 73 0 - 7.6-8.7 QD2 LEU 6 - HB3 ASP 60 far 0 99 0 - 7.9-9.4 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 = 0.93: QD2 LEU 64 + HA LYS 61 OK 80 84 100 96 2.9-3.9 3.1/8099=56, 2.1/9694=54...(6) QD1 LEU 64 + HA LYS 61 OK 63 65 100 95 3.2-3.8 6686=57, 3.1/8099=56...(6) QD1 LEU 82 - HA LYS 61 far 0 65 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 9656 from cnoeabs.peaks (7.07, 3.72, 59.63 ppm; 5.94 A): 1 out of 1 assignment used, quality = 0.83: HZ PHE 93 + HA LYS 61 OK 83 84 100 99 3.2-4.5 4682/8099=68, ~4675=66...(6) 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 = 0.57: HD22 ASN 8 + HA LYS 61 OK 57 65 100 86 3.4-5.5 ~9655=59, 9654/3.0=55 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 3.1-4.1 4677/3.7=76, 4675=66...(4) 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 2.0-3.4 9685/3.1=79, 9676/1.8=76...(16) HG3 GLU 37 - HB2 LEU 63 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9675 from cnoeabs.peaks (2.57, 1.87, 40.89 ppm; 5.33 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 60 + HB2 LEU 63 OK 100 100 100 100 2.0-4.0 1.8/9674=88, 9645/3.1=84...(15) HG2 MET 67 - HB2 LEU 63 far 0 99 0 - 7.6-8.8 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 3.6-4.9 9674/1.8=81, 9641/3.1=78...(15) HG3 GLU 37 - HB3 LEU 63 far 0 100 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 9677 from cnoeabs.peaks (2.57, 1.43, 40.89 ppm; 5.61 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 60 + HB3 LEU 63 OK 100 100 100 100 3.7-5.5 9644=95, 1.8/9676=92...(15) HG2 MET 67 - HB3 LEU 63 far 0 100 0 - 6.4-7.3 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 - 7.9-8.6 Violated in 20 structures by 3.80 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 2.6-4.1 9643=85, 9645/2.1=80...(16) HG2 MET 67 - HG LEU 63 far 0 92 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9680 from cnoeabs.peaks (3.92, 0.71, 22.93 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.96: HA LEU 38 + QD2 LEU 63 OK 81 97 85 98 3.7-4.6 3522/10987=54...(9) HB2 SER 35 + QD2 LEU 63 OK 78 100 80 97 2.8-4.2 10797=74, 3.0/11048=60...(7) HA LEU 64 - QD2 LEU 63 far 0 90 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 9681 from cnoeabs.peaks (2.73, 0.71, 22.93 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASP 60 + QD2 LEU 63 OK 98 98 100 100 4.0-5.1 9641/2.1=92, 9639/2.1=80...(14) HG3 GLU 37 - QD2 LEU 63 far 0 100 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 9682 from cnoeabs.peaks (2.56, 0.71, 22.93 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.84: HB3 ASP 60 + QD2 LEU 63 OK 84 84 100 100 4.1-5.4 1.8/9681=98, ~9685=93...(14) HG2 MET 67 - QD2 LEU 63 far 9 87 10 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 9683 from cnoeabs.peaks (2.39, 0.71, 22.93 ppm; 5.94 A): 1 out of 2 assignments used, quality = 0.99: HG2 GLU 66 + QD2 LEU 63 OK 99 100 100 99 4.2-5.2 11070/4714=82...(4) HG3 MET 67 - QD2 LEU 63 far 5 100 5 - 6.0-7.7 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 = 0.86: HB2 LEU 38 + QD2 LEU 63 OK 86 87 100 99 2.1-2.4 3.1/10987=71...(11) HG2 GLU 41 - QD2 LEU 63 far 0 97 0 - 5.6-7.1 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 8 assignments used, quality = 0.69: HB2 ASP 60 + QD1 LEU 63 OK 69 70 100 100 2.2-3.2 1.8/9645=61, 4.0/9649=45...(17) HG3 GLU 37 - QD1 LEU 63 far 0 92 0 - 5.3-5.6 HB3 ASN 50 - QD1 LEU 45 far 0 28 0 - 6.9-11.9 HB2 ASN 50 - QD1 LEU 45 far 0 27 0 - 6.9-11.6 HB2 ASP 60 - QD2 LEU 6 far 0 51 0 - 7.6-9.2 HE3 LYS 53 - QD1 LEU 45 far 0 36 0 - 8.2-12.1 HE3 LYS 19 - QD2 LEU 6 far 0 45 0 - 9.9-12.9 HE3 LYS 19 - QD1 LEU 63 far 0 61 0 - 9.9-13.2 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 5 assignments used, quality = 0.99: HB3 ASP 60 + QD1 LEU 63 OK 97 97 100 100 2.7-4.2 1.8/9685=85, 9645=85...(14) HG2 MET 67 + QD2 LEU 6 OK 79 79 100 99 3.3-4.1 1.8/9719=66...(12) HG2 MET 67 - QD1 LEU 45 far 0 33 0 - 4.5-5.2 HG2 MET 67 - QD1 LEU 63 far 0 98 0 - 7.2-8.2 HB3 ASP 60 - QD2 LEU 6 far 0 78 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 9688 from cnoeabs.peaks (7.10, 3.91, 57.78 ppm; 6.20 A increased from 5.56 A): 1 out of 2 assignments used, quality = 0.61: HZ PHE 93 + HA LEU 64 OK 61 61 100 100 6.1-6.3 ~4674=74, 9691/3.7=71...(7) QE PHE 79 - HA GLU 128 far 0 86 0 - 7.6-9.5 Violated in 10 structures by 0.01 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 3.6-3.9 4682=99, 4685/3.1=99...(13) 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 1 assignment used, quality = 0.81: HZ PHE 93 + HG LEU 64 OK 81 81 100 100 4.6-4.7 ~9693=79, ~9692=77...(13) Violated in 0 structures by 0.00 A. Peak 9692 from cnoeabs.peaks (7.12, 0.81, 24.93 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.72: QE PHE 93 + QD1 LEU 64 OK 72 73 100 98 2.5-2.9 ~4685=53, 9693/2.1=44...(10) QE PHE 120 - QD1 LEU 64 far 0 70 0 - 8.0-8.4 QE PHE 120 - QD1 LEU 114 far 0 38 0 - 9.9-10.6 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 = 1.00: QE PHE 93 + QD2 LEU 64 OK 100 100 100 100 2.0-2.6 2.2/4685=76, 4674/3.1=54...(13) QE PHE 120 - QD2 LEU 64 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9694 from cnoeabs.peaks (3.73, 0.81, 24.93 ppm; 4.00 A increased from 3.55 A): 1 out of 1 assignment used, quality = 0.81: HA LYS 61 + QD1 LEU 64 OK 81 87 100 93 3.2-3.8 8099/3.1=50...(7) Violated in 0 structures by 0.00 A. Peak 9702 from cnoeabs.peaks (0.90, 3.95, 59.96 ppm; 3.61 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 70 + HA MET 67 OK 97 97 100 100 2.0-2.2 9769=81, 3.1/8139=56...(9) QD2 LEU 38 - HA MET 67 far 0 92 0 - 3.9-4.3 QD2 LEU 70 - HA MET 67 far 0 99 0 - 4.6-4.8 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 - 6.2-6.7 QG1 VAL 78 - HA MET 67 far 0 65 0 - 6.4-7.1 Violated in 20 structures by 1.60 A. Peak 9704 from cnoeabs.peaks (0.95, 2.20, 33.44 ppm; 4.48 A): 1 out of 8 assignments used, quality = 0.80: QD1 LEU 38 + HB2 MET 67 OK 80 81 100 99 2.0-2.4 9711/3.0=67...(11) HD3 LYS 2 - HB3 MET 1 far 2 46 5 - 4.2-8.7 HG13 ILE 56 - HB2 MET 67 far 0 92 0 - 5.5-6.0 QD2 LEU 127 - HB3 MET 1 far 0 35 0 - 6.0-11.7 HG3 LYS 53 - HG3 GLN 28 far 0 46 0 - 6.6-9.8 HG3 LYS 53 - HB3 MET 1 far 0 44 0 - 7.5-13.1 HG13 ILE 56 - HG3 GLN 28 far 0 53 0 - 7.6-11.0 HD3 LYS 2 - HG3 GLN 28 far 0 49 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 9705 from cnoeabs.peaks (0.87, 2.20, 33.44 ppm; 5.85 A increased from 5.20 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 32 + HB2 MET 67 OK 93 100 100 93 5.3-5.6 10929/4950=93 QG2 VAL 22 - HG3 GLN 28 far 0 46 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 9706 from cnoeabs.peaks (0.72, 2.20, 33.44 ppm; 5.02 A): 3 out of 13 assignments used, quality = 0.99: QD1 LEU 6 + HB2 MET 67 OK 94 99 95 100 4.6-5.1 11564/1.8=94, ~11610=68...(14) QD2 LEU 6 + HB2 MET 67 OK 77 77 100 100 3.1-3.7 9713/3.0=75, ~11564=70...(11) QD2 LEU 63 + HB2 MET 67 OK 55 90 95 65 4.3-5.3 10987/9704=52, 4739/4950=27 QD2 LEU 45 - HG3 GLN 28 far 0 61 0 - 5.7-8.1 QD2 LEU 55 - HG3 GLN 28 far 0 39 0 - 6.7-8.5 QG2 VAL 78 - HB2 MET 67 far 0 99 0 - 7.1-7.8 QD2 LEU 45 - HB3 MET 1 far 0 58 0 - 7.8-11.2 QG2 VAL 78 - HB3 MET 1 far 0 58 0 - 7.9-9.8 QD1 ILE 57 - HG3 GLN 28 far 0 46 0 - 8.1-9.8 QD2 LEU 45 - HB2 MET 67 far 0 99 0 - 8.3-9.3 QD2 LEU 55 - HB2 MET 67 far 0 73 0 - 8.9-9.5 QD2 LEU 6 - HG3 GLN 28 far 0 42 0 - 9.6-12.2 QG2 VAL 78 - HG3 GLN 28 far 0 61 0 - 9.8-12.0 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 2 assignments used, quality = 0.00: HG13 ILE 97 - HB3 MET 67 far 0 100 0 - 8.9-10.4 QG1 VAL 104 - HB3 MET 67 far 0 100 0 - 10.0-10.9 Violated in 20 structures by 3.90 A. Peak 9708 from cnoeabs.peaks (0.77, 2.05, 33.44 ppm; 5.36 A increased from 4.77 A): 1 out of 7 assignments used, quality = 0.68: QD2 LEU 64 + HB3 MET 67 OK 68 81 100 84 5.0-5.3 3.8/8120=84 QD1 LEU 80 - HB3 MET 67 far 0 98 0 - 5.6-6.3 QD2 LEU 80 - HB3 MET 67 far 0 97 0 - 6.2-7.0 QG2 VAL 32 - HB3 MET 67 far 0 98 0 - 6.4-7.0 QD1 LEU 45 - HB3 MET 67 far 0 77 0 - 6.6-7.4 QD1 LEU 82 - HB3 MET 67 far 0 94 0 - 9.1-9.8 QD1 ILE 7 - HB3 MET 67 far 0 100 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 9709 from cnoeabs.peaks (0.68, 2.05, 33.44 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.62: QG2 ILE 56 + HB3 MET 67 OK 62 87 100 71 4.1-4.9 10946/4951=63, ~9717=20 QG2 ILE 97 - HB3 MET 67 far 0 100 0 - 6.9-7.5 QD2 LEU 4 - HB3 MET 67 far 0 99 0 - 8.3-8.7 Violated in 4 structures by 0.00 A. Peak 9710 from cnoeabs.peaks (1.53, 2.57, 32.07 ppm; 5.91 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 38 + HG2 MET 67 OK 96 96 100 100 3.9-4.9 2.1/9711=100, ~9723=77...(10) HG LEU 6 + HG2 MET 67 OK 85 94 90 100 4.8-6.1 2.1/9713=98, ~9719=80...(13) HB3 ARG 30 - HG2 MET 67 far 0 77 0 - 8.2-9.0 HG2 LYS 43 - HG2 MET 67 far 0 73 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 9711 from cnoeabs.peaks (0.96, 2.57, 32.07 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 38 + HG2 MET 67 OK 97 98 100 99 3.0-3.8 10991=82, 10995/3.3=59...(11) HG13 ILE 56 - HG2 MET 67 poor 20 100 20 - 3.8-4.5 HD3 LYS 2 - HG2 MET 67 far 0 99 0 - 9.0-12.2 Violated in 3 structures by 0.00 A. Peak 9712 from cnoeabs.peaks (0.86, 2.57, 32.07 ppm; 4.46 A): 0 out of 3 assignments used, quality = 0.00: QG1 VAL 32 - HG2 MET 67 far 0 90 0 - 6.0-6.8 QG2 ILE 5 - HG2 MET 67 far 0 77 0 - 8.8-9.9 QG2 ILE 57 - HG2 MET 67 far 0 73 0 - 9.4-10.1 Violated in 20 structures by 1.82 A. Peak 9713 from cnoeabs.peaks (0.72, 2.57, 32.07 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.75: QD2 LEU 6 + HG2 MET 67 OK 75 77 100 97 3.3-4.1 11610/3.0=47, ~11563=45...(12) QG2 VAL 78 - HG2 MET 67 far 0 99 0 - 5.1-6.3 QD1 LEU 6 - HG2 MET 67 far 0 99 0 - 5.6-6.2 QD2 LEU 63 - HG2 MET 67 far 0 90 0 - 6.0-6.9 QD2 LEU 45 - HG2 MET 67 far 0 99 0 - 6.4-7.2 QD2 LEU 55 - HG2 MET 67 far 0 73 0 - 8.4-9.2 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 4 assignments used, quality = 0.86: QD1 ILE 71 + HG2 MET 67 OK 86 87 100 99 2.0-3.6 9720/1.8=79, 9779/3.0=47...(9) QD1 ILE 56 - HG2 MET 67 far 0 99 0 - 4.7-5.5 QD2 LEU 4 - HG2 MET 67 far 0 87 0 - 6.5-7.3 QG2 ILE 97 - HG2 MET 67 far 0 73 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 9715 from cnoeabs.peaks (1.71, 2.40, 32.07 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.77: HG12 ILE 71 + HG3 MET 67 OK 77 77 100 100 2.8-4.8 2.1/9720=100, ~9714=88...(9) HG LEU 74 - HG3 MET 67 far 0 99 0 - 8.0-10.4 HG3 LYS 39 - HG3 MET 67 far 0 92 0 - 9.5-11.5 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 5 assignments used, quality = 1.00: HB2 LEU 6 + HG3 MET 67 OK 100 100 100 100 4.3-5.5 3.1/9719=85...(13) HG LEU 6 + HG3 MET 67 OK 87 87 100 100 3.7-4.6 2.1/9719=95...(12) HG LEU 38 + HG3 MET 67 OK 80 84 95 100 5.0-5.8 ~9711=86, ~10991=84...(11) HB3 ARG 30 - HG3 MET 67 far 0 98 0 - 7.3-8.9 HG2 ARG 30 - HG3 MET 67 far 0 90 0 - 8.6-10.9 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 = 0.76: HG13 ILE 56 + HG3 MET 67 OK 53 77 95 73 3.2-4.4 ~10946=26, ~9709=25...(6) QD1 LEU 38 + HG3 MET 67 OK 48 61 80 98 3.9-4.7 9711/1.8=59, 9704/3.0=56...(11) HD3 LYS 2 - HG3 MET 67 far 0 70 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 9718 from cnoeabs.peaks (0.87, 2.40, 32.07 ppm; 4.83 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 32 - HG3 MET 67 far 0 99 0 - 5.9-7.3 QD2 LEU 38 - HG3 MET 67 far 0 70 0 - 6.0-6.5 HG13 ILE 57 - HG3 MET 67 far 0 84 0 - 8.7-11.1 QG2 VAL 104 - HG3 MET 67 far 0 87 0 - 9.8-10.5 Violated in 20 structures by 0.74 A. Peak 9719 from cnoeabs.peaks (0.75, 2.40, 32.07 ppm; 4.67 A): 1 out of 7 assignments used, quality = 0.87: QD2 LEU 6 + HG3 MET 67 OK 87 87 100 100 2.0-3.1 2.1/11563=63...(16) QD1 LEU 45 - HG3 MET 67 far 0 97 0 - 4.9-6.0 QG2 VAL 32 - HG3 MET 67 far 0 73 0 - 5.0-6.7 QD1 LEU 63 - HG3 MET 67 far 0 98 0 - 6.6-8.3 QG2 ILE 54 - HG3 MET 67 far 0 100 0 - 6.7-7.4 QD2 LEU 55 - HG3 MET 67 far 0 90 0 - 7.2-8.7 QG2 ILE 7 - HG3 MET 67 far 0 100 0 - 9.0-10.3 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 2.0-3.2 9781=86, 9714/1.8=68...(10) QD1 ILE 56 - HG3 MET 67 far 10 100 10 - 4.2-5.5 QD1 LEU 4 - HG3 MET 67 far 0 65 0 - 4.4-5.2 QD2 LEU 4 - HG3 MET 67 far 0 65 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 9721 from cnoeabs.peaks (1.44, 1.88, 16.76 ppm; 3.48 A): 1 out of 9 assignments used, quality = 0.68: HB3 LEU 63 + QE MET 67 OK 68 90 100 76 2.6-3.4 11261/10995=30, 4725=29...(6) HG12 ILE 56 - QE MET 67 far 0 92 0 - 4.5-5.1 HG3 ARG 30 - QE MET 67 far 0 77 0 - 6.5-8.2 HB3 LEU 4 - QE MET 67 far 0 100 0 - 6.6-7.2 HB2 LEU 4 - QE MET 67 far 0 100 0 - 6.7-7.5 HG3 LYS 44 - QE MET 67 far 0 100 0 - 8.2-9.8 HG LEU 4 - QE MET 67 far 0 81 0 - 8.4-9.1 HB3 LYS 61 - QE MET 67 far 0 99 0 - 9.3-10.2 HG LEU 80 - QE MET 67 far 0 99 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 9722 from cnoeabs.peaks (1.65, 1.88, 16.76 ppm; 4.19 A): 0 out of 5 assignments used, quality = 0.00: HB2 ARG 30 - QE MET 67 far 0 99 0 - 5.2-6.2 HG LEU 64 - QE MET 67 far 0 97 0 - 5.5-6.0 HD3 LYS 65 - QE MET 67 far 0 100 0 - 8.2-9.9 HB ILE 5 - QE MET 67 far 0 100 0 - 8.3-9.0 HD2 LYS 65 - QE MET 67 far 0 99 0 - 8.8-10.5 Violated in 20 structures by 0.80 A. Peak 9723 from cnoeabs.peaks (0.97, 1.88, 16.76 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.94: QD1 LEU 38 + QE MET 67 OK 94 96 100 98 1.9-2.3 10995=82, 3.1/11232=38...(15) HG13 ILE 56 - QE MET 67 far 9 87 10 - 3.1-4.0 HD3 LYS 2 - QE MET 67 far 0 92 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 9724 from cnoeabs.peaks (0.85, 1.88, 16.76 ppm; 3.28 A increased from 3.09 A): 1 out of 9 assignments used, quality = 0.65: QG1 VAL 32 + QE MET 67 OK 65 73 100 89 2.7-3.3 10929=57, 2.1/10928=45...(6) QG2 ILE 57 - QE MET 67 far 0 90 0 - 5.7-6.6 HG13 ILE 57 - QE MET 67 far 0 96 0 - 6.9-7.9 QG2 ILE 5 - QE MET 67 far 0 92 0 - 7.4-8.1 QG2 ILE 15 - QE MET 67 far 0 99 0 - 7.7-8.7 QG2 THR 9 - QE MET 67 far 0 87 0 - 7.8-8.5 HG13 ILE 5 - QE MET 67 far 0 99 0 - 9.5-10.3 QG2 VAL 22 - QE MET 67 far 0 100 0 - 9.5-10.3 QG2 VAL 117 - QE MET 67 far 0 81 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9725 from cnoeabs.peaks (0.75, 1.88, 16.76 ppm; 2.87 A increased from 2.70 A): 2 out of 8 assignments used, quality = 0.73: QG2 VAL 32 + QE MET 67 OK 55 73 100 75 2.1-2.9 2.1/9724=50, 10928=26...(5) QD2 LEU 6 + QE MET 67 OK 39 87 65 70 2.3-3.4 9719/3.3=21, 4746=18...(11) QD1 LEU 63 - QE MET 67 far 0 98 0 - 3.4-4.3 QD1 LEU 45 - QE MET 67 far 0 97 0 - 5.0-6.4 QG2 ILE 54 - QE MET 67 far 0 100 0 - 5.7-6.4 QD2 LEU 55 - QE MET 67 far 0 90 0 - 6.2-6.7 QG2 ILE 7 - QE MET 67 far 0 100 0 - 7.5-8.5 QD1 ILE 15 - QE MET 67 far 0 70 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (0.67, 1.88, 16.76 ppm; 2.82 A): 0 out of 5 assignments used, quality = 0.00: QD1 ILE 56 - QE MET 67 far 0 99 0 - 3.2-3.5 QD1 ILE 71 - QE MET 67 far 0 87 0 - 4.4-4.8 QD2 LEU 4 - QE MET 67 far 0 87 0 - 6.8-7.4 QD1 LEU 55 - QE MET 67 far 0 65 0 - 8.2-8.7 QG2 ILE 97 - QE MET 67 far 0 73 0 - 8.3-8.9 Violated in 20 structures by 0.52 A. Peak 9727 from cnoeabs.peaks (3.42, 1.88, 16.76 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.96: HB3 SER 58 + QE MET 67 OK 96 99 100 97 2.8-3.7 1.8/9728=72, 2.8/9735=48...(8) Violated in 0 structures by 0.00 A. Peak 9728 from cnoeabs.peaks (3.79, 1.88, 16.76 ppm; 4.06 A increased from 3.82 A): 1 out of 3 assignments used, quality = 0.92: HB2 SER 58 + QE MET 67 OK 92 96 100 97 3.2-4.0 1.8/9727=79, 2.8/9735=52...(8) HA LEU 68 - QE MET 67 far 0 94 0 - 6.3-6.4 HA LYS 65 - QE MET 67 far 0 98 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 9729 from cnoeabs.peaks (3.91, 1.88, 16.76 ppm; 3.51 A increased from 3.31 A): 2 out of 3 assignments used, quality = 0.98: HA LEU 38 + QE MET 67 OK 95 100 100 95 2.7-3.4 9288/10929=50...(6) HA LEU 64 + QE MET 67 OK 61 100 65 93 3.2-3.9 8120/4951=43...(9) HB2 SER 35 - QE MET 67 far 0 90 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 9730 from cnoeabs.peaks (3.78, 2.40, 32.07 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 68 + HG3 MET 67 OK 100 100 100 100 4.1-5.3 3.0/419=93, 9784/9720=87...(9) HB2 SER 58 + HG3 MET 67 OK 75 100 75 100 5.4-7.5 ~9727=79, 9728/3.3=75...(7) HA LYS 65 - HG3 MET 67 far 0 70 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 9734 from cnoeabs.peaks (5.02, 1.88, 16.76 ppm; 5.52 A increased from 4.91 A): 1 out of 1 assignment used, quality = 0.94: HA SER 58 + QE MET 67 OK 94 94 100 100 4.4-5.5 3.0/9727=93, 3.0/9728=91...(5) Violated in 2 structures by 0.00 A. Peak 9735 from cnoeabs.peaks (5.10, 1.88, 16.76 ppm; 4.62 A increased from 4.34 A): 1 out of 1 assignment used, quality = 0.95: HG SER 58 + QE MET 67 OK 95 96 100 99 3.7-4.6 2.8/9727=79, 2.8/9728=76...(6) Violated in 3 structures by 0.00 A. Peak 9736 from cnoeabs.peaks (7.64, 1.88, 16.76 ppm; 5.34 A increased from 4.49 A): 1 out of 3 assignments used, quality = 0.79: H LEU 64 + QE MET 67 OK 79 84 100 94 4.3-5.1 4.6/9721=74, 2.9/9729=37...(5) H GLU 69 - QE MET 67 far 0 87 0 - 6.9-7.3 H ALA 46 - QE MET 67 far 0 100 0 - 9.1-10.8 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 3.4-4.4 4633/4961=93...(9) QD PHE 79 - HA LEU 68 far 0 94 0 - 9.0-9.6 QE TYR 76 - HA LEU 68 far 0 99 0 - 9.9-10.3 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 3.0-3.7 2.2/4632=91, 9749/2.1=89...(15) 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 3.3-4.0 4633/2.1=98, 2.2/4695=95...(11) QD PHE 79 - QD1 LEU 68 far 0 100 0 - 8.1-9.0 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 5.1-6.0 4.2/11074=69, ~8125=68...(10) H SER 72 + QD2 LEU 68 OK 83 84 100 99 5.6-5.9 4.1/9775=82, 4.5/9763=74...(4) H THR 9 - QD2 LEU 68 far 0 96 0 - 9.1-9.8 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 = 0.96: QE PHE 93 + QD2 LEU 68 OK 96 99 100 96 6.0-6.2 ~4721=80, 4673/11074=39...(5) QE PHE 120 - QD2 LEU 68 far 0 100 0 - 7.7-8.3 Violated in 6 structures by 0.00 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 2.4-3.7 2.2/4633=94, 4696=80...(14) HZ PHE 79 - QD2 LEU 68 far 0 65 0 - 9.9-10.5 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 2.8-4.1 2.2/4696=84, 4633=83...(14) QD PHE 79 - QD2 LEU 68 far 0 81 0 - 6.5-7.0 QE TYR 76 - QD2 LEU 68 far 0 94 0 - 9.8-10.4 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 2.1-3.1 4633/3.1=97, 4632/3.1=96...(9) QD PHE 79 - HB3 LEU 68 far 0 100 0 - 9.5-10.4 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 3.4-4.5 4633/3.1=96, 4632/3.1=95...(8) Violated in 0 structures by 0.00 A. Peak 9753 from cnoeabs.peaks (3.93, 0.51, 25.27 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.96: HA ILE 97 + QD1 LEU 68 OK 96 96 100 100 4.0-4.6 3.2/11496=99...(5) HA MET 67 - QD1 LEU 68 poor 16 65 25 - 6.0-6.6 HA LEU 38 - QD1 LEU 68 far 0 61 0 - 9.9-10.8 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 3.9-5.0 3.7/11073=94...(13) HA LEU 38 - QD2 LEU 68 far 0 100 0 - 8.8-10.1 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 4.4-4.6 9785=97, 2.1/9760=89...(8) HG12 ILE 97 - HA LEU 68 far 0 77 0 - 6.5-9.4 Violated in 2 structures by 0.00 A. Peak 9759 from cnoeabs.peaks (0.79, 3.78, 57.94 ppm; 4.25 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 80 - HA LEU 68 far 0 81 0 - 5.3-5.8 QD2 LEU 64 - HA LEU 68 far 0 97 0 - 5.5-6.2 QD1 LEU 80 - HA LEU 68 far 0 77 0 - 5.5-6.1 QD1 LEU 82 - HA LEU 68 far 0 87 0 - 8.8-9.6 Violated in 20 structures by 0.49 A. Peak 9760 from cnoeabs.peaks (0.67, 3.78, 57.94 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.86: QD1 ILE 71 + HA LEU 68 OK 86 87 100 100 1.9-2.2 9784=79, 3.2/8146=53...(11) QG2 ILE 97 - HA LEU 68 far 0 73 0 - 5.2-5.7 QD1 ILE 56 - HA LEU 68 far 0 99 0 - 8.2-8.9 QD2 LEU 4 - HA LEU 68 far 0 87 0 - 8.3-8.9 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 3.8-4.1 417/3.0=97, ~416=76...(7) HB3 GLN 100 - HA LEU 68 far 0 100 0 - 6.6-7.8 HB2 GLU 66 - HA LEU 68 far 0 99 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 9763 from cnoeabs.peaks (1.89, 0.38, 23.07 ppm; 5.07 A): 1 out of 5 assignments used, quality = 1.00: HB ILE 71 + QD2 LEU 68 OK 100 100 100 100 3.8-4.4 2.1/9775=83...(8) QE MET 67 - QD2 LEU 68 far 4 84 5 - 4.7-6.0 HB ILE 7 - QD2 LEU 68 far 0 100 0 - 7.8-8.4 HB2 LYS 96 - QD2 LEU 68 far 0 96 0 - 8.0-9.8 HB2 LYS 73 - QD2 LEU 68 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9764 from cnoeabs.peaks (1.90, 0.51, 25.27 ppm; 6.20 A increased from 6.05 A): 1 out of 5 assignments used, quality = 0.96: HB ILE 71 + QD1 LEU 68 OK 96 96 100 100 5.7-6.1 8147/4.0=84, ~9775=81...(6) HB2 LYS 96 - QD1 LEU 68 lone 1 100 50 2 5.8-7.9 HB2 LEU 81 - QD1 LEU 68 far 0 77 0 - 8.0-8.5 HB ILE 7 - QD1 LEU 68 far 0 87 0 - 9.0-9.5 HB2 ARG 95 - QD1 LEU 68 far 0 97 0 - 9.4-10.4 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 80 + QD1 LEU 68 OK 95 99 100 96 1.8-2.3 9922=60, 10133/11496=35...(12) QD1 LEU 80 + QD1 LEU 68 OK 92 99 100 93 2.8-3.2 2.1/9922=50, 9925=29...(13) QD2 LEU 64 + QD1 LEU 68 OK 90 100 100 91 1.8-2.0 2.1/11072=50, ~11073=28...(11) QD1 LEU 82 - QD1 LEU 68 far 0 100 0 - 4.4-5.0 QD1 LEU 81 - QD1 LEU 68 far 0 94 0 - 7.9-8.5 QD1 ILE 7 - QD1 LEU 68 far 0 84 0 - 8.6-8.9 QG2 VAL 32 - QD1 LEU 68 far 0 70 0 - 8.8-9.7 QG1 VAL 107 - QD1 LEU 68 far 0 70 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 9766 from cnoeabs.peaks (0.70, 0.51, 25.27 ppm; 3.81 A increased from 3.58 A): 1 out of 4 assignments used, quality = 0.86: QD1 LEU 6 + QD1 LEU 68 OK 86 90 100 96 3.4-3.6 11565/2.1=70, ~11343=44...(10) QG2 ILE 56 - QD1 LEU 68 far 0 92 0 - 6.7-7.6 QD2 LEU 63 - QD1 LEU 68 far 0 99 0 - 7.4-8.2 QD2 LEU 81 - QD1 LEU 68 far 0 100 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 9767 from cnoeabs.peaks (0.74, 0.38, 23.07 ppm; 3.70 A increased from 3.12 A): 1 out of 10 assignments used, quality = 1.00: QD2 LEU 6 + QD2 LEU 68 OK 100 100 100 100 3.2-3.6 11343=100, 2.1/11565=67...(9) QG2 VAL 78 - QD2 LEU 68 far 0 90 0 - 4.2-5.0 QG2 ILE 7 - QD2 LEU 68 far 0 96 0 - 7.2-7.5 QD1 LEU 45 - QD2 LEU 68 far 0 65 0 - 7.2-7.9 QD2 LEU 55 - QD2 LEU 68 far 0 100 0 - 7.7-8.3 QD1 LEU 63 - QD2 LEU 68 far 0 99 0 - 8.0-8.9 QG2 ILE 54 - QD2 LEU 68 far 0 92 0 - 8.6-9.5 QD2 LEU 45 - QD2 LEU 68 far 0 90 0 - 9.0-9.7 QG1 VAL 117 - QD2 LEU 68 far 0 77 0 - 9.1-9.6 QG2 ILE 18 - QD2 LEU 68 far 0 65 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 9768 from cnoeabs.peaks (0.63, 0.38, 23.07 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.51: QG1 VAL 78 + QD2 LEU 68 OK 51 65 100 77 2.6-3.4 9865=46, 4694/4696=29...(7) QD1 LEU 4 - QD2 LEU 68 far 0 94 0 - 5.8-6.2 QD1 ILE 5 - QD2 LEU 68 far 0 94 0 - 6.7-7.1 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 = 0.99: HA MET 67 + QD1 LEU 70 OK 99 99 100 100 2.0-2.2 9702=95, 8139/3.1=61...(9) HB3 SER 35 - QD1 LEU 70 far 0 100 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 9770 from cnoeabs.peaks (3.95, 0.90, 23.17 ppm; 5.06 A increased from 4.76 A): 1 out of 2 assignments used, quality = 1.00: HA MET 67 + QD2 LEU 70 OK 100 100 100 100 4.6-4.8 9702/2.1=98, 8139/3.1=91...(7) HB3 SER 35 - QD2 LEU 70 far 0 100 0 - 7.5-9.5 Violated in 0 structures by 0.00 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 3.6-5.2 3.1/9819=92...(11) Violated in 0 structures by 0.00 A. Peak 9773 from cnoeabs.peaks (1.49, 3.74, 64.24 ppm; 6.20 A increased from 5.74 A): 1 out of 3 assignments used, quality = 0.68: HG3 LYS 73 + HA ILE 71 OK 68 84 100 81 4.5-6.3 4.9/2124=64, 7672/9790=47 HB3 LEU 45 - HA ILE 71 far 5 99 5 - 5.9-7.5 HB2 LEU 6 - HA ILE 71 far 0 70 0 - 8.2-8.6 Violated in 3 structures by 0.01 A. Peak 9775 from cnoeabs.peaks (0.38, 0.82, 18.37 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 68 + QG2 ILE 71 OK 97 100 100 97 4.1-4.5 9763/2.1=68...(6) 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 - 6.4-6.9 Violated in 20 structures by 2.63 A. Peak 9777 from cnoeabs.peaks (1.44, 0.65, 14.72 ppm; 4.15 A): 1 out of 12 assignments used, quality = 0.38: HB2 LEU 4 + QD1 ILE 71 OK 38 99 100 39 3.3-3.9 ~5103=14, ~10735=13...(6) HB3 LEU 4 - QD1 ILE 71 far 5 99 5 - 4.2-4.9 HB3 LEU 6 - QD1 ILE 71 far 0 73 0 - 4.4-4.9 HG LEU 4 - QD1 ILE 71 far 0 94 0 - 4.7-5.4 HG12 ILE 56 - QD1 ILE 71 far 0 77 0 - 4.9-5.8 HB3 LEU 38 - QD1 ILE 71 far 0 61 0 - 7.1-8.3 HB3 LEU 63 - QD1 ILE 71 far 0 73 0 - 7.4-8.2 HG LEU 80 - QD1 ILE 71 far 0 100 0 - 7.4-8.1 HG3 ARG 30 - QD1 ILE 71 far 0 92 0 - 8.7-10.9 HG12 ILE 57 - QD1 ILE 71 far 0 65 0 - 8.7-9.6 HG2 LYS 39 - QD1 ILE 71 far 0 77 0 - 9.1-11.6 HG12 ILE 7 - QD1 ILE 71 far 0 70 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 9778 from cnoeabs.peaks (1.58, 0.65, 14.72 ppm; 4.55 A): 1 out of 6 assignments used, quality = 0.86: HG LEU 68 + QD1 ILE 71 OK 86 92 100 94 3.7-4.5 3.7/9784=65, ~9775=37...(6) HB3 LEU 70 - QD1 ILE 71 far 0 96 0 - 5.2-5.6 HG2 LYS 73 - QD1 ILE 71 far 0 61 0 - 6.9-8.5 HG LEU 55 - QD1 ILE 71 far 0 87 0 - 7.8-8.3 HG12 ILE 3 - QD1 ILE 71 far 0 70 0 - 8.4-10.5 HG2 LYS 44 - QD1 ILE 71 far 0 99 0 - 9.5-11.9 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 2.7-3.3 3.0/9781=72, 3.0/9714=57...(8) HB2 GLU 66 - QD1 ILE 71 far 0 100 0 - 7.0-7.6 HB3 GLN 100 - QD1 ILE 71 far 0 96 0 - 7.1-8.3 HB2 MET 1 - QD1 ILE 71 far 0 92 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 9780 from cnoeabs.peaks (2.21, 0.65, 14.72 ppm; 5.66 A): 1 out of 4 assignments used, quality = 0.99: HB2 MET 67 + QD1 ILE 71 OK 99 99 100 100 4.0-4.5 1.8/9779=97, 3.0/9781=91...(10) HB2 MET 42 - QD1 ILE 71 far 0 70 0 - 6.1-7.3 HB2 GLU 69 - QD1 ILE 71 far 0 97 0 - 6.1-6.6 HB2 GLN 100 - QD1 ILE 71 far 0 100 0 - 6.6-8.4 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 2 assignments used, quality = 0.95: HG3 MET 67 + QD1 ILE 71 OK 95 96 100 100 2.0-3.2 9720=91, 1.8/9714=60...(10) HG2 GLU 66 - QD1 ILE 71 far 0 99 0 - 8.4-8.8 Violated in 0 structures by 0.00 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 2.0-3.6 1.8/9781=97, 3.0/9779=78...(9) Violated in 0 structures by 0.00 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 3.4-4.0 3.0/9779=91, 3.7/9781=88...(6) HA ILE 97 - QD1 ILE 71 far 0 84 0 - 8.5-9.5 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 1.9-2.2 9760=82, 9758/2.1=54...(11) HA LYS 65 - QD1 ILE 71 far 0 70 0 - 6.0-6.4 HB2 SER 58 - QD1 ILE 71 far 0 100 0 - 6.9-7.8 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 2 assignments used, quality = 1.00: HA LEU 68 + HG13 ILE 71 OK 100 100 100 100 4.4-4.6 9758=99, 9760/2.1=89...(8) HA LYS 65 - HG13 ILE 71 far 0 70 0 - 9.4-9.9 Violated in 0 structures by 0.00 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 3.6-4.2 1.8/9787=91, 2.5/9798=81...(9) HE2 LYS 77 - QG2 ILE 71 far 0 65 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 9787 from cnoeabs.peaks (2.66, 0.82, 18.37 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.94: HB2 TYR 76 + QG2 ILE 71 OK 94 97 100 97 2.3-2.8 2.5/9798=65, 1.8/9786=59...(9) HG2 MET 42 - QG2 ILE 71 far 0 100 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 9788 from cnoeabs.peaks (1.56, 0.82, 18.37 ppm; 4.57 A): 1 out of 6 assignments used, quality = 0.78: HB VAL 78 + QG2 ILE 71 OK 78 100 100 78 1.8-2.2 ~11291=51, 4625/9799=39 HB3 LEU 70 - QG2 ILE 71 far 0 81 0 - 5.8-6.1 HG12 ILE 3 - QG2 ILE 71 far 0 99 0 - 6.8-9.2 QB ALA 46 - QG2 ILE 71 far 0 98 0 - 7.3-7.9 HG LEU 55 - QG2 ILE 71 far 0 92 0 - 9.0-9.9 HG2 LYS 65 - QG2 ILE 71 far 0 97 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 9789 from cnoeabs.peaks (1.46, 0.82, 18.37 ppm; 4.05 A): 1 out of 8 assignments used, quality = 0.94: HB2 LEU 74 + QG2 ILE 71 OK 94 100 100 94 3.1-4.0 5225=32, 9831/9797=30...(14) HG LEU 4 - QG2 ILE 71 poor 15 84 25 71 3.7-4.6 4612/9798=25, ~9777=25...(7) HG3 LYS 73 - QG2 ILE 71 far 0 81 0 - 5.9-7.3 HB3 LEU 6 - QG2 ILE 71 far 0 98 0 - 6.2-6.8 HG2 LYS 49 - QG2 ILE 71 far 0 98 0 - 9.2-15.9 HD2 LYS 53 - QG2 ILE 71 far 0 73 0 - 9.5-12.6 HG3 ARG 30 - QG2 ILE 71 far 0 87 0 - 9.9-12.4 HB3 LEU 38 - QG2 ILE 71 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 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 99 3.3-3.7 5241/9819=59...(10) 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 3.9-4.3 4572=96, 4616/9819=94...(12) 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 6.1-6.3 9798/2.1=97, ~9787=85...(9) Violated in 19 structures by 0.02 A. Peak 9795 from cnoeabs.peaks (7.71, 0.82, 18.37 ppm; 5.50 A): 1 out of 3 assignments used, quality = 0.95: H LYS 73 + QG2 ILE 71 OK 95 96 100 99 4.8-5.2 1915/444=78...(5) H LEU 70 - QG2 ILE 71 far 0 100 0 - 5.9-6.0 H GLU 47 - QG2 ILE 71 far 0 100 0 - 10.0-11.1 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 2.7-3.2 1498/9787=70...(8) Violated in 0 structures by 0.00 A. Peak 9798 from cnoeabs.peaks (6.85, 0.82, 18.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.89: QD TYR 76 + QG2 ILE 71 OK 89 92 100 97 3.4-3.7 2.5/9787=66, 2.5/9786=54...(8) Violated in 0 structures by 0.00 A. Peak 9799 from cnoeabs.peaks (6.71, 0.82, 18.37 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.83: QE TYR 102 + QG2 ILE 71 OK 83 90 100 93 2.2-4.1 9750/9775=45...(7) QE TYR 76 - QG2 ILE 71 far 0 92 0 - 5.1-5.6 QD PHE 79 - QG2 ILE 71 far 0 77 0 - 6.3-6.4 Violated in 0 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): 1 out of 3 assignments used, quality = 0.89: QE TYR 102 + QD1 ILE 71 OK 89 90 100 99 3.5-5.0 9799/5107=89...(6) QD PHE 79 - QD1 ILE 71 far 0 77 0 - 6.4-6.8 QE TYR 76 - QD1 ILE 71 far 0 92 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 9807 from cnoeabs.peaks (0.81, 4.37, 61.37 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.92: QG2 ILE 71 + HA SER 72 OK 92 92 100 100 3.4-3.8 11371=79, 444/2.9=75...(9) QD1 LEU 74 - HA SER 72 far 0 92 0 - 5.6-6.4 QD2 LEU 74 - HA SER 72 far 0 87 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 9808 from cnoeabs.peaks (0.63, 4.37, 61.37 ppm; 5.46 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 78 - HA SER 72 far 0 65 0 - 6.1-7.4 QD1 LEU 4 - HA SER 72 far 0 94 0 - 6.9-8.1 Violated in 20 structures by 1.04 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 2.0-2.5 2.2/9818=96, 4616=88...(13) 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 = 0.99: QE TYR 76 + QD1 LEU 74 OK 99 99 100 100 1.9-2.6 2.2/4616=91, 4622/2.1=65...(10) QE TYR 102 - QD1 LEU 74 far 0 99 0 - 6.4-7.2 QD PHE 79 - QD1 LEU 74 far 0 94 0 - 9.7-9.9 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 2.1-2.7 11347/2.1=61, 5072=49...(17) Violated in 0 structures by 0.00 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 4.5-5.0 469/3.6=98, 9827/2.9=95...(4) 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 = 0.99: HB2 LEU 4 + HB2 TYR 76 OK 98 98 100 100 4.9-5.5 3.1/10732=84...(17) HB3 LEU 4 + HB2 TYR 76 OK 44 98 45 100 6.1-6.7 3.1/10732=84, ~4617=78...(16) HG12 ILE 56 - HB2 TYR 76 far 0 99 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 9836 from cnoeabs.peaks (0.81, 2.66, 37.96 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.99: QG2 ILE 71 + HB2 TYR 76 OK 92 92 100 100 2.3-2.8 9787=85, 9798/2.5=72...(9) QD1 LEU 74 + HB2 TYR 76 OK 88 92 100 95 3.5-3.9 4616/2.5=76, 9818/4.4=45...(5) QD2 LEU 74 - HB2 TYR 76 far 0 87 0 - 5.1-5.7 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 = 0.98: QD1 LEU 4 + HB2 TYR 76 OK 97 97 100 100 2.9-3.6 4617/2.5=90, 10732=88...(16) QD1 ILE 71 + HB2 TYR 76 OK 29 99 30 98 4.9-5.5 5107/9787=78, ~9786=50...(7) QD1 ILE 56 - HB2 TYR 76 far 0 87 0 - 8.3-9.2 QD1 ILE 54 - HB2 TYR 76 far 0 81 0 - 9.1-9.8 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 = 0.99: HB2 LEU 4 + HB3 TYR 76 OK 98 98 100 100 5.0-5.7 3.1/9045=91, 9035/2.5=80...(17) HB3 LEU 4 + HB3 TYR 76 OK 64 98 65 100 6.0-6.7 3.1/9045=91, ~4617=78...(17) HG12 ILE 56 - HB3 TYR 76 far 0 99 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 9841 from cnoeabs.peaks (0.82, 2.85, 37.96 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 71 + HB3 TYR 76 OK 100 100 100 100 3.6-4.2 9786=98, 9787/1.8=98...(9) QD1 LEU 74 + HB3 TYR 76 OK 100 100 100 100 4.6-5.0 4616/2.5=97, 9818/4.4=60...(5) QD2 LEU 74 - HB3 TYR 76 far 0 100 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 9842 from cnoeabs.peaks (0.64, 2.85, 37.96 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 4 + HB3 TYR 76 OK 100 100 100 100 3.3-4.1 9045=96, 9037/2.5=94...(15) QD1 ILE 71 - HB3 TYR 76 far 0 81 0 - 5.8-6.7 QD1 ILE 5 - HB3 TYR 76 far 0 73 0 - 7.2-8.0 QD1 ILE 54 - HB3 TYR 76 far 0 99 0 - 8.5-9.3 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 2.6-5.6 4656/1.8=92...(9) Violated in 2 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 3.4-6.2 2.2/9847=90, ~4656=81...(10) QD TYR 102 + HG3 LYS 77 OK 48 99 60 81 5.5-7.0 4698/485=80, ~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 69 70 100 100 4.1-5.6 10809/3.0=90, ~10808=70...(10) HZ PHE 79 + HD3 LYS 77 OK 69 69 100 100 3.0-5.8 10809/3.0=90, ~10808=70...(11) HZ PHE 120 - HD2 LYS 77 far 0 87 0 - 9.1-11.4 HZ PHE 120 - HD3 LYS 77 far 0 87 0 - 9.3-12.5 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 = 0.90: QD PHE 79 + HD2 LYS 77 OK 84 84 100 100 4.3-6.1 ~10808=70, ~4656=68...(7) QD PHE 79 + HD3 LYS 77 OK 42 84 50 100 3.8-6.9 ~10808=70, ~4656=68...(8) QE TYR 102 - HD2 LYS 77 lone 5 70 35 19 5.4-7.9 ~9848=18 QE TYR 102 - HD3 LYS 77 far 3 69 5 - 6.3-8.9 QE TYR 76 - HD2 LYS 77 far 0 65 0 - 9.8-11.2 QE TYR 76 - HD3 LYS 77 far 0 65 0 - 9.9-11.3 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 3.1-4.9 9847/1.8=76, 4656=63...(11) HZ PHE 93 - HG2 LYS 94 far 0 37 0 - 9.4-10.8 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 2.9-5.0 2.2/9852=93...(9) QD TYR 102 - HG2 LYS 77 far 0 90 0 - 7.1-8.6 QD TYR 102 - HG2 LYS 94 far 0 33 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 9855 from cnoeabs.peaks (4.81, 1.84, 32.22 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.53: HA ILE 3 + HB3 LYS 77 OK 53 73 100 72 3.5-4.5 3.8/11691=55, 4.2/11086=38 HA ILE 3 - HB2 LYS 77 far 0 73 0 - 4.8-5.8 Violated in 0 structures by 0.00 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 4.3-5.1 2.5/9872=98, 10175=97...(8) HE2 LYS 2 - HB VAL 78 far 0 100 0 - 8.6-12.5 HG3 MET 42 - HB VAL 78 far 0 99 0 - 9.4-10.7 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 = 0.94: HA LYS 77 + HB VAL 78 OK 94 99 100 95 4.5-4.7 481/1516=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 - 8.2-9.0 Violated in 20 structures by 4.67 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 94 2.7-3.1 1.8/9861=77, 2.5/9874=61...(5) HG2 MET 42 - QG2 VAL 78 far 0 96 0 - 7.1-8.4 HB2 TYR 27 - QG2 VAL 78 far 0 77 0 - 8.7-9.6 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 = 0.89: HB3 TYR 76 + QG2 VAL 78 OK 89 92 100 97 3.1-3.6 1.8/9860=80, 2.5/9874=62...(5) HE2 LYS 77 - QG2 VAL 78 far 0 84 0 - 6.2-8.0 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 = 0.66: HA LYS 77 + QG2 VAL 78 OK 66 73 100 90 4.0-4.5 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): 2 out of 11 assignments used, quality = 0.99: HB2 LEU 4 + QG1 VAL 78 OK 98 99 100 100 2.6-3.6 11529=98, 11528/2.1=38...(10) HB3 LEU 6 + QG1 VAL 78 OK 61 73 100 83 3.0-3.4 3.0/11567=51...(7) HB3 LEU 4 - QG1 VAL 78 far 0 99 0 - 3.8-4.9 HG LEU 4 - QG1 VAL 78 far 0 94 0 - 4.4-5.3 HG12 ILE 56 - QG1 VAL 78 far 0 77 0 - 5.1-6.2 HG LEU 80 - QG1 VAL 78 far 0 100 0 - 5.9-6.6 HG12 ILE 7 - QG1 VAL 78 far 0 70 0 - 6.9-7.4 HG12 ILE 57 - QG1 VAL 78 far 0 65 0 - 8.3-9.2 HG3 ARG 30 - QG1 VAL 78 far 0 92 0 - 9.1-11.1 HB3 LEU 63 - QG1 VAL 78 far 0 73 0 - 9.6-10.0 HB3 LEU 38 - QG1 VAL 78 far 0 61 0 - 9.7-10.4 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 99 4.8-5.5 3.8/9886=74, 9920=69...(5) HD3 LYS 53 - QG1 VAL 78 far 0 70 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 9865 from cnoeabs.peaks (0.37, 0.61, 21.11 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.71: QD2 LEU 68 + QG1 VAL 78 OK 71 87 100 82 2.6-3.4 9768=44, 4696/4694=24...(8) QD1 ILE 97 - QG1 VAL 78 far 0 94 0 - 6.4-7.2 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 - 9.8-12.0 Violated in 20 structures by 4.75 A. Peak 9867 from cnoeabs.peaks (3.77, 0.61, 21.11 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.73: HA LEU 68 + QG1 VAL 78 OK 73 84 100 88 3.6-4.5 4.0/9865=86, 9741/9878=12 HB2 SER 58 - QG1 VAL 78 far 0 81 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 9868 from cnoeabs.peaks (4.55, 0.61, 21.11 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.80: HA PHE 79 + QG1 VAL 78 OK 80 81 100 99 3.4-3.7 3.0/7703=81, 3.6/9886=56...(8) HA LYS 77 - QG1 VAL 78 far 0 99 0 - 5.4-5.5 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 3.1-4.5 2.2/9872=92, 4625=75...(10) QD PHE 79 + HB VAL 78 OK 75 77 100 97 5.3-5.4 4648/2.1=63, 4634/3.0=60...(6) QE TYR 76 - HB VAL 78 far 0 92 0 - 8.4-8.8 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 2.9-3.8 4694/2.1=75, 2.2/4625=72...(10) HZ PHE 79 - HB VAL 78 far 0 81 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 9873 from cnoeabs.peaks (6.71, 0.72, 22.14 ppm; 4.66 A increased from 4.14 A): 2 out of 3 assignments used, quality = 0.97: QD PHE 79 + QG2 VAL 78 OK 91 92 100 100 4.2-4.5 4648=88, 4634/3.2=61...(8) QE TYR 102 + QG2 VAL 78 OK 69 98 70 100 4.1-5.5 4625/2.1=73, 2.2/9875=69...(8) QE TYR 76 - QG2 VAL 78 far 0 99 0 - 5.8-6.2 Violated in 0 structures by 0.00 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 4.0-4.4 2.5/9860=82, 2.5/9861=81...(5) Violated in 0 structures by 0.00 A. Peak 9875 from cnoeabs.peaks (6.99, 0.72, 22.14 ppm; 4.87 A increased from 4.59 A): 1 out of 2 assignments used, quality = 0.95: QD TYR 102 + QG2 VAL 78 OK 95 100 95 100 4.4-5.2 4689/2.1=92, 4694/2.1=88...(11) HZ PHE 79 - QG2 VAL 78 far 0 100 0 - 6.9-7.3 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 = 1.00: HA LEU 80 + QG1 VAL 78 OK 100 100 100 100 3.7-4.2 3.0/9886=92, 3.0/9864=82...(6) 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 3.5-3.9 4648/2.1=71...(10) QE TYR 102 + QG1 VAL 78 OK 59 99 60 100 4.0-5.0 2.2/4694=78, 4625/2.1=72...(9) QE TYR 76 - QG1 VAL 78 far 0 98 0 - 7.9-8.4 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...(13) HZ PHE 79 - QG1 VAL 78 far 0 61 0 - 6.8-7.2 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 2.0-2.9 9041/3.2=90, 10665=78...(10) H LEU 81 - QG2 VAL 78 far 0 73 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 9886 from cnoeabs.peaks (8.59, 0.61, 21.11 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.72: H LEU 80 + QG1 VAL 78 OK 72 73 100 99 3.6-4.6 3.6/9868=62, 4.7/7703=61...(9) H ILE 71 - QG1 VAL 78 far 0 84 0 - 5.6-6.1 H ALA 124 - QG1 VAL 78 far 0 73 0 - 8.9-9.5 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 3.8-4.7 10665/2.1=100...(6) H LEU 81 + QG1 VAL 78 OK 72 73 100 99 5.4-5.9 4.7/9886=74, 4.2/9864=69...(5) 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 2.3-2.8 3.9/11566=75...(11) 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 2.7-3.3 9041=100, 10665/3.2=62...(10) H LEU 81 - HA VAL 78 far 0 65 0 - 8.5-8.9 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 4.6-5.1 9896/1.8=95, 3.2/9902=86...(10) 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 2.8-3.4 3.2/9905=77, 4635/2.4=74...(12) Violated in 0 structures by 0.00 A. Peak 9898 from cnoeabs.peaks (4.13, 7.10, 130.23 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.80: HA ALA 124 + QE PHE 79 OK 80 80 100 100 3.8-4.2 2.1/10629=100, ~4665=86...(14) HA GLN 122 - QE PHE 79 far 0 97 0 - 7.6-8.2 HA MET 1 - QE PHE 79 far 0 80 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 9902 from cnoeabs.peaks (0.83, 1.04, 40.18 ppm; 5.14 A): 1 out of 5 assignments used, quality = 0.84: QG2 ILE 5 + HB2 PHE 79 OK 84 84 100 100 3.8-4.2 9905/1.8=72...(20) HG13 ILE 5 - HB2 PHE 79 far 0 65 0 - 6.4-7.1 QG2 ILE 71 - HB2 PHE 79 far 0 90 0 - 7.9-8.4 QD1 LEU 64 - HB2 PHE 79 far 0 81 0 - 8.3-8.9 QD2 LEU 82 - HB2 PHE 79 far 0 100 0 - 9.2-9.7 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 4.8-4.9 9868/3.0=93, 7703/4.0=93...(10) QD1 ILE 5 + HB2 PHE 79 OK 84 84 100 100 3.4-4.0 3.0/9902=89, 9055/2.4=77...(19) QD1 ILE 18 - HB2 PHE 79 far 0 100 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 9904 from cnoeabs.peaks (1.80, 2.08, 40.18 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.97: HG12 ILE 5 + HB3 PHE 79 OK 97 97 100 100 4.5-5.2 4645/2.4=94, 3.2/9905=93...(15) HB3 ARG 105 - HB3 PHE 79 far 0 73 0 - 6.8-7.6 HG2 ARG 105 - HB3 PHE 79 far 0 99 0 - 6.8-9.1 HB ILE 3 - HB3 PHE 79 far 0 98 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 9905 from cnoeabs.peaks (0.84, 2.08, 40.18 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 5 + HB3 PHE 79 OK 100 100 100 100 2.5-2.8 4647/2.4=80...(23) HG13 ILE 5 - HB3 PHE 79 far 5 97 5 - 4.7-5.4 QG2 VAL 22 - HB3 PHE 79 far 0 77 0 - 9.4-10.2 QD2 LEU 82 - HB3 PHE 79 far 0 81 0 - 9.4-9.9 QG2 ILE 57 - HB3 PHE 79 far 0 100 0 - 9.9-10.8 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 4.0-4.3 9868/3.0=90, 7703/4.0=90...(11) QD1 ILE 5 + HB3 PHE 79 OK 97 97 100 100 2.0-2.7 10740/1.8=96...(22) QD1 ILE 18 - HB3 PHE 79 far 0 99 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 9907 from cnoeabs.peaks (0.82, 6.72, 131.81 ppm; 6.20 A): 0 out of 4 assignments used, quality = 0.00: QG2 ILE 71 - QD PHE 79 far 5 100 5 - 6.3-6.4 QD1 LEU 64 - QD PHE 79 far 0 99 0 - 8.8-9.3 QD1 LEU 74 - QD PHE 79 far 0 100 0 - 9.7-9.9 QD2 LEU 82 - QD PHE 79 far 0 97 0 - 9.9-10.2 Violated in 0 structures by 0.00 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 1.9-2.1 10740/2.4=100...(23) QG1 VAL 78 + QD PHE 79 OK 97 97 100 100 3.5-3.9 2.1/4648=99, 3.2/4634=95...(10) QG1 VAL 22 - QD PHE 79 far 0 73 0 - 7.7-8.2 QD1 ILE 18 - QD PHE 79 far 0 94 0 - 9.1-9.5 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 2.7-3.6 3.0/4658=98, ~4662=80...(14) HG3 LYS 53 - QE PHE 79 far 0 62 0 - 6.6-9.3 HD3 LYS 2 - QE PHE 79 far 0 94 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 9911 from cnoeabs.peaks (0.81, 7.10, 130.23 ppm; 6.20 A): 0 out of 3 assignments used, quality = 0.00: QG2 ILE 71 - QE PHE 79 far 0 88 0 - 6.9-7.1 QD1 LEU 81 - QE PHE 79 far 0 62 0 - 8.3-8.9 QD1 LEU 74 - QE PHE 79 far 0 88 0 - 10.0-10.4 Violated in 20 structures by 0.43 A. Peak 9912 from cnoeabs.peaks (1.52, 7.10, 130.23 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.76: QB ALA 124 + QE PHE 79 OK 76 76 100 100 2.1-3.0 4646/2.2=82, 2.1/4638=80...(13) HB2 LEU 6 - QE PHE 79 far 0 88 0 - 8.0-8.5 HG LEU 6 - QE PHE 79 far 0 98 0 - 10.0-10.4 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 4.4-5.5 2.9/4652=98, 2.9/4651=97...(7) HG2 ARG 118 - QE PHE 79 far 0 76 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 9915 from cnoeabs.peaks (1.84, 7.10, 130.23 ppm; 4.95 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 123 + QE PHE 79 OK 98 98 100 100 2.9-3.9 11210=100, 1.8/4653=92...(6) HB3 LYS 77 + QE PHE 79 OK 96 97 100 99 3.8-4.5 3.0/4656=67, 3.0/9847=53...(10) HB2 LYS 77 - QE PHE 79 far 15 98 15 - 2.8-5.7 HG LEU 127 - QE PHE 79 far 4 80 5 - 4.9-5.6 QE MET 121 - QE PHE 79 far 0 73 0 - 7.6-8.2 HB2 ARG 105 - QE PHE 79 far 0 83 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 9917 from cnoeabs.peaks (1.93, 5.55, 54.00 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.87: HB2 LEU 81 + HA LEU 80 OK 87 90 100 97 4.3-4.5 3.8/504=92, 9943/3.0=48...(5) HB VAL 104 - HA LEU 80 far 0 73 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 9918 from cnoeabs.peaks (1.94, 1.75, 45.67 ppm; 6.20 A increased from 5.47 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 104 + HB2 LEU 80 OK 99 99 100 100 5.9-6.2 2.1/11383=100...(17) HB3 LYS 65 - HB2 LEU 80 far 0 96 0 - 9.6-10.2 Violated in 0 structures by 0.00 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 4.5-4.9 3.0/11107=97...(6) QD2 LEU 68 + HB2 LEU 80 OK 69 70 100 100 2.5-3.3 ~9922=79, ~9925=76...(9) Violated in 0 structures by 0.00 A. Peak 9920 from cnoeabs.peaks (0.60, 1.29, 45.67 ppm; 5.54 A increased from 5.21 A): 1 out of 1 assignment used, quality = 0.72: QG1 VAL 78 + HB3 LEU 80 OK 72 77 100 94 4.8-5.5 9864=65, 9886/3.8=50...(5) Violated in 1 structures by 0.00 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 3.9-4.7 ~9922=79, ~9925=76...(9) 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 = 0.97: QD1 LEU 68 + QD2 LEU 80 OK 97 99 100 97 1.8-2.3 4695/4692=44...(12) Violated in 0 structures by 0.00 A. Peak 9923 from cnoeabs.peaks (0.37, 0.78, 27.66 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 97 + QD2 LEU 80 OK 95 99 100 96 1.8-2.1 3.0/10133=44...(14) QD2 LEU 68 + QD2 LEU 80 OK 65 70 100 94 2.2-3.0 2.1/9922=56, ~9925=31...(12) Violated in 0 structures by 0.00 A. Peak 9924 from cnoeabs.peaks (0.36, 0.78, 25.50 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.88: QD1 ILE 97 + QD1 LEU 80 OK 88 97 100 91 3.1-3.4 9923/2.1=37, ~10133=36...(10) 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 94 2.8-3.2 2.1/10967=33, ~10967=29...(12) Violated in 0 structures by 0.00 A. Peak 9928 from cnoeabs.peaks (5.24, 5.58, 53.87 ppm; 5.51 A): 1 out of 2 assignments used, quality = 0.65: HA GLN 83 + HA LYS 106 OK 65 73 100 89 4.2-4.5 10302/677=70...(4) HA VAL 104 - HA LYS 106 far 0 73 0 - 6.6-6.8 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 2.2-2.7 10815/1.8=77...(16) 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 3.4-4.1 3.2/11091=89...(17) Violated in 0 structures by 0.00 A. Peak 9933 from cnoeabs.peaks (7.01, 0.78, 27.66 ppm; 6.20 A): 0 out of 1 assignment used, quality = 0.00: HZ PHE 120 - QD2 LEU 80 far 0 99 0 - 7.2-7.9 Violated in 20 structures by 1.33 A. Peak 9934 from cnoeabs.peaks (7.14, 0.78, 27.66 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.85: QE PHE 93 + QD2 LEU 80 OK 85 94 100 90 4.3-4.7 2.2/9938=68...(4) QE PHE 120 - QD2 LEU 80 far 0 96 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 9935 from cnoeabs.peaks (6.99, 0.78, 25.50 ppm; 5.48 A increased from 5.16 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 102 + QD1 LEU 80 OK 100 100 100 100 5.1-5.5 4692/2.1=99...(8) Violated in 3 structures by 0.00 A. Peak 9938 from cnoeabs.peaks (7.21, 0.78, 27.66 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 93 + QD2 LEU 80 OK 93 98 100 95 4.8-5.3 2.2/9934=84...(5) Violated in 0 structures by 0.00 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 3.4-3.6 9065=99, 9071/504=53...(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 = 0.77: H LEU 6 + QD1 LEU 80 OK 77 77 100 100 4.3-4.7 3.9/10953=82...(6) Violated in 0 structures by 0.00 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 5.6-6.2 4.7/1536=86, 3.0/9917=73...(4) 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 3.3-3.9 4727/1.8=97, 4732/3.1=83...(15) QE PHE 93 - HB2 LEU 81 far 0 100 0 - 9.5-9.9 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 1 assignment used, quality = 0.61: QE PHE 120 + HB3 LEU 81 OK 61 61 100 100 2.0-2.3 2.2/4715=70, ~4716=43...(14) 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 3.0-4.2 2.2/4727=100, ~4731=92...(14) Violated in 0 structures by 0.00 A. Peak 9947 from cnoeabs.peaks (8.11, 0.71, 25.86 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.80: H VAL 117 + QD2 LEU 81 OK 80 81 100 99 3.0-3.5 11601/2.1=64...(7) H ALA 113 - QD2 LEU 81 far 4 90 5 - 4.6-5.4 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 3.9-4.2 3.9/11636=95...(7) 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 2.1-3.1 4732/2.1=99, 4727/3.1=92...(15) QE PHE 93 - QD2 LEU 81 far 0 100 0 - 9.7-10.1 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 2.3-2.7 11616=97, 3.2/11619=86...(13) HA VAL 78 - HB2 LEU 81 far 0 65 0 - 9.4-10.0 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 3.9-4.3 11616/1.8=90...(13) HA VAL 78 - HB3 LEU 81 far 0 84 0 - 9.2-9.9 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 4.7-5.0 9955/2.1=72...(10) HA VAL 78 - QD1 LEU 81 far 0 100 0 - 9.9-10.6 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 3.9-4.2 3.8/11389=91...(10) HA VAL 78 - QD2 LEU 81 far 0 97 0 - 9.3-9.8 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 = 0.86: HA ALA 113 + QD2 LEU 81 OK 86 90 100 96 2.2-3.1 11606/2.1=73...(6) HA LYS 115 - QD2 LEU 81 far 0 90 0 - 6.3-6.6 HB2 SER 58 - QD2 LEU 81 far 0 94 0 - 9.3-10.2 Violated in 0 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 = 0.97: QG2 ILE 116 + QD1 LEU 81 OK 97 97 100 100 1.8-2.2 2.1/11637=73, 10491=59...(19) 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 1.9-2.6 9958/2.1=89...(18) Violated in 0 structures by 0.00 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 3.9-4.4 10491/3.1=99...(13) Violated in 0 structures by 0.00 A. Peak 9964 from cnoeabs.peaks (1.43, 1.62, 44.22 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.74: HG LEU 80 + HB2 LEU 82 OK 74 92 100 80 4.6-4.8 11395/3.1=55, ~11093=27...(5) HB3 GLN 83 - HB2 LEU 82 far 0 90 0 - 6.0-6.2 HB3 LYS 61 - HB2 LEU 82 far 0 100 0 - 8.6-11.8 Violated in 2 structures by 0.00 A. Peak 9965 from cnoeabs.peaks (0.89, 1.74, 44.22 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.98: QD2 LEU 90 + HB3 LEU 82 OK 92 97 100 95 3.4-4.2 9967/1.8=78...(7) QD1 LEU 90 + HB3 LEU 82 OK 75 81 100 93 2.1-2.7 ~9967=54, 9968/1544=49...(8) QG2 VAL 104 - HB3 LEU 82 far 0 99 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 9966 from cnoeabs.peaks (1.39, 1.74, 44.22 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.92: HG3 LYS 106 + HB3 LEU 82 OK 92 94 100 98 6.2-6.2 3.9/9976=76...(4) QB ALA 113 - HB3 LEU 82 far 0 70 0 - 7.6-8.1 HG LEU 14 - HB3 LEU 82 far 0 77 0 - 9.5-9.9 Violated in 20 structures by 0.02 A. Peak 9967 from cnoeabs.peaks (0.88, 1.62, 44.22 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.78: QD2 LEU 90 + HB2 LEU 82 OK 78 100 100 78 3.4-4.1 9965/1.8=38...(6) QG2 VAL 104 - HB2 LEU 82 far 0 100 0 - 4.8-5.5 QG2 VAL 107 - HB2 LEU 82 far 0 77 0 - 7.2-7.5 QG2 VAL 117 - HB2 LEU 82 far 0 65 0 - 8.8-9.2 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 = 0.74: HB3 ASN 8 + QD2 LEU 82 OK 74 77 100 97 2.5-3.4 1.8/9971=82, ~9101=33...(9) HG3 GLU 92 - QD2 LEU 82 far 0 97 0 - 6.9-10.2 HG2 GLU 89 - QD2 LEU 82 far 0 99 0 - 7.9-10.1 HG2 GLU 103 - QD2 LEU 82 far 0 100 0 - 9.7-12.0 HG2 GLU 69 - QD2 LEU 82 far 0 77 0 - 10.0-12.7 Violated in 0 structures by 0.00 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 1.9-2.3 1.8/9970=66, 9101/2.1=39...(9) HB3 ASN 59 - QD2 LEU 82 far 0 77 0 - 7.5-9.3 Violated in 0 structures by 0.00 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 3.4-4.0 9974/1543=91...(4) Violated in 0 structures by 0.00 A. Peak 9976 from cnoeabs.peaks (5.57, 1.74, 44.22 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.94: HA LYS 106 + HB3 LEU 82 OK 94 96 100 98 4.3-5.2 9974/1544=77...(5) Violated in 0 structures by 0.00 A. Peak 9977 from cnoeabs.peaks (5.55, 0.82, 23.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.83: HA LEU 80 + QD2 LEU 82 OK 83 99 100 84 5.7-6.1 4.3/11395=84 Violated in 0 structures by 0.00 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 4.3-4.8 3.0/9971=100...(7) Violated in 0 structures by 0.00 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 99 2.1-2.7 2.2/9983=61...(8) QE PHE 120 - QD2 LEU 82 far 0 61 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 9982 from cnoeabs.peaks (7.08, 0.82, 23.86 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 93 + QD2 LEU 82 OK 99 100 100 99 4.1-4.8 2.2/9981=91, 3.8/9983=64...(4) Violated in 0 structures by 0.00 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 2.1-2.5 4667/2.1=84, 2.2/9981=80...(8) Violated in 0 structures by 0.00 A. Peak 9986 from cnoeabs.peaks (8.61, 0.82, 23.86 ppm; 6.03 A increased from 5.07 A): 1 out of 4 assignments used, quality = 0.98: H LYS 94 + QD2 LEU 82 OK 98 98 100 100 5.2-5.7 10100/2.1=97...(4) H LEU 80 - QD2 LEU 82 far 0 90 0 - 7.6-7.8 H GLN 85 - QD2 LEU 82 far 0 99 0 - 8.0-8.5 H THR 108 - QD2 LEU 82 far 0 96 0 - 9.6-9.9 Violated in 0 structures by 0.00 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 2.7-3.0 10302=100, 1714/10310=65...(6) 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 2.2-2.8 3.0/9995=86...(9) HA ASP 109 - HB2 GLN 83 far 0 96 0 - 7.9-8.8 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 = 0.99: HG1 THR 9 + HB2 GLN 83 OK 99 99 100 100 3.2-4.6 2.8/9995=80...(9) Violated in 0 structures by 0.00 A. Peak 9993 from cnoeabs.peaks (6.19, 1.42, 29.87 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.90: HG1 THR 9 + HB3 GLN 83 OK 90 90 100 100 4.3-5.5 9992/1.8=90, 2.8/9109=84...(7) Violated in 1 structures by 0.00 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 3.2-3.4 9110/1.8=94, 9109=93...(10) HA GLN 85 - HB3 GLN 83 far 0 65 0 - 8.2-8.4 Violated in 0 structures by 0.00 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 2.3-2.8 9110=77, 2.1/10008=67...(10) Violated in 0 structures by 0.00 A. Peak 10000 from cnoeabs.peaks (4.79, 2.34, 33.72 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.96: HA THR 108 + HG2 GLN 83 OK 96 97 100 99 2.7-3.2 10001/1.8=70...(8) 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 3.6-4.0 10000/1.8=85...(8) 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 97 99 100 99 3.3-4.1 10074=80, 1713/10302=66...(5) QG2 VAL 107 + HA GLN 83 OK 94 94 100 100 3.9-4.4 10305=75, 2.1/10310=74...(14) QG2 THR 9 - HA GLN 83 far 0 81 0 - 6.3-6.5 QD1 LEU 14 - HA GLN 83 far 0 65 0 - 6.6-7.0 QG2 VAL 117 - HA GLN 83 far 0 87 0 - 7.8-8.3 QG2 VAL 104 - HA GLN 83 far 0 97 0 - 8.8-9.3 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 4 assignments used, quality = 0.73: QG1 VAL 107 + HA GLN 83 OK 73 73 100 100 1.9-2.4 2.1/10305=70...(14) QG2 ILE 7 - HA GLN 83 far 0 100 0 - 5.6-6.0 QD2 LEU 14 - HA GLN 83 far 0 73 0 - 6.4-6.6 QD1 ILE 15 - HA GLN 83 far 0 70 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 10006 from cnoeabs.peaks (0.86, 1.42, 29.87 ppm; 4.44 A): 2 out of 8 assignments used, quality = 0.90: QG2 VAL 107 + HB3 GLN 83 OK 87 87 100 100 3.8-4.3 10012/3.0=69...(13) QG2 THR 9 + HB3 GLN 83 OK 24 97 25 100 4.5-4.6 2.1/9109=69, 10755=68...(9) QD1 LEU 14 - HB3 GLN 83 far 0 100 0 - 4.9-5.3 QG2 VAL 117 - HB3 GLN 83 far 0 94 0 - 6.3-6.7 QG2 ILE 57 - HB3 GLN 83 far 0 73 0 - 7.5-8.3 QG2 ILE 5 - HB3 GLN 83 far 0 77 0 - 8.6-9.0 QG2 ILE 15 - HB3 GLN 83 far 0 94 0 - 9.0-9.7 HG13 ILE 57 - HB3 GLN 83 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10007 from cnoeabs.peaks (0.75, 1.42, 29.87 ppm; 4.22 A): 2 out of 7 assignments used, quality = 0.96: QG1 VAL 107 + HB3 GLN 83 OK 90 90 100 100 2.0-2.3 10009/1.8=80...(18) QG2 ILE 7 + HB3 GLN 83 OK 62 96 100 65 3.9-4.3 11583/10755=43, 9108/9109=38 QD2 LEU 14 - HB3 GLN 83 far 0 90 0 - 5.0-5.3 QD1 ILE 15 - HB3 GLN 83 far 0 87 0 - 6.6-8.7 QD1 ILE 7 - HB3 GLN 83 far 0 77 0 - 6.8-7.1 QD2 LEU 55 - HB3 GLN 83 far 0 73 0 - 9.4-9.9 QD2 LEU 6 - HB3 GLN 83 far 0 70 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10008 from cnoeabs.peaks (0.87, 2.21, 29.87 ppm; 4.34 A increased from 4.09 A): 1 out of 8 assignments used, quality = 1.00: QG2 THR 9 + HB2 GLN 83 OK 100 100 100 100 3.9-4.3 2.1/9995=77...(9) QG2 VAL 107 - HB2 GLN 83 far 0 100 0 - 4.9-5.5 QD1 LEU 14 - HB2 GLN 83 far 0 97 0 - 5.3-5.7 QD2 LEU 90 - HB2 GLN 83 far 0 73 0 - 5.7-6.3 QG2 VAL 117 - HB2 GLN 83 far 0 100 0 - 7.4-7.9 QG2 ILE 15 - HB2 GLN 83 far 0 61 0 - 8.7-9.3 HG13 ILE 57 - HB2 GLN 83 far 0 97 0 - 9.7-10.4 QG2 VAL 104 - HB2 GLN 83 far 0 65 0 - 10.0-10.5 Violated in 1 structures by 0.00 A. Peak 10009 from cnoeabs.peaks (0.75, 2.21, 29.87 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.89: QG1 VAL 107 + HB2 GLN 83 OK 89 90 100 100 3.4-3.6 11020/3.0=54...(16) QG2 ILE 7 - HB2 GLN 83 far 0 96 0 - 4.4-4.8 QD2 LEU 14 - HB2 GLN 83 far 0 90 0 - 4.7-5.0 QD1 ILE 15 - HB2 GLN 83 far 0 87 0 - 6.0-7.9 QD1 ILE 7 - HB2 GLN 83 far 0 77 0 - 7.4-7.9 QD2 LEU 6 - HB2 GLN 83 far 0 70 0 - 9.8-10.6 QD2 LEU 55 - HB2 GLN 83 far 0 73 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10010 from cnoeabs.peaks (0.85, 2.34, 33.72 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.65: QG2 VAL 107 + HG2 GLN 83 OK 65 65 100 100 3.4-4.4 10012/1.8=84...(14) QD1 LEU 14 - HG2 GLN 83 far 0 94 0 - 5.4-5.8 QG2 THR 9 - HG2 GLN 83 far 0 84 0 - 6.0-6.3 QG2 VAL 117 - HG2 GLN 83 far 0 77 0 - 8.4-8.9 QG2 ILE 57 - HG2 GLN 83 far 0 92 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10011 from cnoeabs.peaks (0.74, 2.34, 33.72 ppm; 4.57 A): 0 out of 3 assignments used, quality = 0.00: QG2 ILE 7 - HG2 GLN 83 far 0 96 0 - 6.3-6.7 QG2 ILE 18 - HG2 GLN 83 far 0 65 0 - 9.5-10.1 HG13 ILE 18 - HG2 GLN 83 far 0 97 0 - 9.8-10.4 Violated in 20 structures by 1.76 A. Peak 10012 from cnoeabs.peaks (0.86, 2.12, 33.72 ppm; 4.10 A): 1 out of 7 assignments used, quality = 0.87: QG2 VAL 107 + HG3 GLN 83 OK 87 87 100 100 2.3-3.4 10010/1.8=62, ~11020=52...(15) QD1 LEU 14 - HG3 GLN 83 far 15 100 15 - 4.0-4.7 QG2 THR 9 - HG3 GLN 83 far 0 97 0 - 5.0-5.9 QG2 VAL 117 - HG3 GLN 83 far 0 94 0 - 7.1-7.6 QG2 ILE 57 - HG3 GLN 83 far 0 73 0 - 8.6-9.5 QG2 ILE 15 - HG3 GLN 83 far 0 94 0 - 9.5-10.6 QG2 ILE 5 - HG3 GLN 83 far 0 77 0 - 9.9-10.4 Violated in 0 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 - 5.4-5.9 HG13 ILE 18 - HG3 GLN 83 far 0 84 0 - 8.3-8.8 Violated in 20 structures by 1.85 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 2.2-2.9 11571=65, 10025/1.8=54...(10) QD1 LEU 90 + HB2 ASP 84 OK 76 77 100 99 3.5-3.9 11570/1.8=58...(9) QG2 VAL 104 - HB2 ASP 84 far 0 99 0 - 9.7-10.5 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 2.0-3.4 11571/1.8=71...(13) QG2 VAL 107 - HB3 ASP 84 far 0 94 0 - 7.4-7.8 QG2 THR 9 - HB3 ASP 84 far 0 81 0 - 7.9-9.0 QG2 VAL 104 - HB3 ASP 84 far 0 97 0 - 8.8-10.0 QD1 LEU 14 - HB3 ASP 84 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10026 from cnoeabs.peaks (0.88, 4.50, 54.02 ppm; 4.70 A increased from 3.95 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 90 + HA ASP 84 OK 100 100 100 100 4.1-4.5 10020/2.9=82...(13) QG2 VAL 107 - HA ASP 84 far 0 77 0 - 6.5-7.2 Violated in 0 structures by 0.00 A. Peak 10027 from cnoeabs.peaks (7.18, 4.50, 54.02 ppm; 5.41 A increased from 4.56 A): 1 out of 2 assignments used, quality = 0.29: HE21 GLN 83 + HA ASP 84 OK 29 65 100 44 4.0-5.1 10817/2.9=43 HE22 GLN 83 - HA ASP 84 far 10 70 15 - 3.9-6.2 Violated in 0 structures by 0.00 A. Peak 10030 from cnoeabs.peaks (1.25, 4.33, 56.59 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.91: QG2 THR 108 + HA GLN 85 OK 91 99 100 91 2.0-3.3 10331=64, 11122/3.0=38...(5) 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 = 0.60: H GLU 89 + HB2 ASP 86 OK 60 61 100 98 2.4-3.4 5.2/11302=74...(6) H ASP 84 - HB2 ASP 86 far 0 100 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 10044 from cnoeabs.peaks (2.28, 2.93, 40.96 ppm; 5.64 A): 1 out of 5 assignments used, quality = 0.69: HG2 GLU 89 + HB2 ASP 86 OK 69 70 100 100 1.9-4.4 10048/1.8=88...(7) HG3 GLU 87 - HB2 ASP 86 poor 18 77 35 67 5.6-6.2 4.9/546=66 HG2 GLU 87 - HB2 ASP 86 far 0 77 0 - 6.0-6.3 HG3 GLU 92 - HB2 ASP 86 far 0 77 0 - 7.7-8.9 HG3 GLU 91 - HB2 ASP 86 far 0 97 0 - 9.8-10.2 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 2 assignments used, quality = 0.88: HG2 GLU 89 + HB3 ASP 86 OK 88 90 100 98 2.2-5.0 11302/1.8=83, ~11303=55...(6) HG3 GLU 92 - HB3 ASP 86 far 0 94 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (2.02, 2.57, 40.96 ppm; 5.14 A increased from 4.33 A): 3 out of 4 assignments used, quality = 0.90: HB3 GLU 89 + HB3 ASP 86 OK 62 70 90 99 4.1-6.0 3.0/10048=68, ~11302=62...(7) HB2 GLU 89 + HB3 ASP 86 OK 51 70 75 98 2.8-6.3 3.0/10048=68, ~11302=62...(6) HB3 GLN 85 + HB3 ASP 86 OK 43 70 85 73 3.9-5.9 4.6/1571=73 HB3 GLU 87 - HB3 ASP 86 far 0 70 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.89, 4.04, 58.52 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 90 + HA GLU 87 OK 99 99 100 100 2.7-2.8 11573=74, 3.1/8167=52...(9) QD1 LEU 90 - HA GLU 87 far 0 70 0 - 4.4-4.6 QG2 VAL 107 - HA GLU 87 far 0 65 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 10055 from cnoeabs.peaks (0.87, 2.04, 29.57 ppm; 4.18 A increased from 3.52 A): 1 out of 7 assignments used, quality = 0.94: QD2 LEU 90 + HB3 GLU 87 OK 94 96 100 99 3.7-4.0 10057/5718=63...(11) QG2 VAL 104 - HB3 GLU 98 far 0 49 0 - 4.6-5.2 QD2 LEU 90 - HB3 GLN 85 far 0 66 0 - 6.4-7.0 QG2 VAL 107 - HB3 GLN 85 far 0 69 0 - 7.4-9.4 QG2 VAL 107 - HB3 GLU 87 far 0 98 0 - 9.0-9.8 QD1 LEU 14 - HB3 GLN 85 far 0 49 0 - 9.7-11.1 QD2 LEU 90 - HB3 GLU 98 far 0 52 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10056 from cnoeabs.peaks (0.88, 2.09, 29.57 ppm; 3.39 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 90 - HB2 GLU 87 far 0 100 0 - 5.0-5.2 Violated in 20 structures by 1.70 A. Peak 10057 from cnoeabs.peaks (0.88, 2.29, 36.01 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.92: QD2 LEU 90 + HG2 GLU 87 OK 92 100 100 92 3.6-3.8 10054/5716=61...(5) QD2 LEU 90 - HG3 GLU 87 far 0 100 0 - 5.0-5.2 QG2 VAL 107 - HG2 GLU 111 far 0 67 0 - 5.3-7.6 QG2 VAL 107 - HG2 GLU 87 far 0 81 0 - 7.7-8.6 QG2 VAL 107 - HG3 GLU 87 far 0 81 0 - 9.0-9.9 QG2 VAL 117 - HG2 GLU 111 far 0 57 0 - 9.5-10.6 Violated in 0 structures by 0.00 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 2.3-3.0 10282=79, 3.6/11578=69...(14) Violated in 0 structures by 0.00 A. Peak 10073 from cnoeabs.peaks (7.21, 0.88, 24.74 ppm; 4.90 A): 0 out of 3 assignments used, quality = 0.00: QD PHE 93 - QD2 LEU 90 far 0 94 0 - 6.1-6.6 HE21 GLN 83 - QD2 LEU 90 far 0 90 0 - 6.4-7.3 HE22 GLN 83 - QD2 LEU 90 far 0 87 0 - 7.1-8.5 Violated in 20 structures by 0.84 A. Peak 10074 from cnoeabs.peaks (5.26, 0.88, 24.74 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.97: HA GLN 83 + QD2 LEU 90 OK 97 100 100 97 3.3-4.1 525/10020=74...(5) HA LEU 81 - QD2 LEU 90 far 0 94 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 10082 from cnoeabs.peaks (2.06, 4.34, 60.45 ppm; 5.09 A): 2 out of 10 assignments used, quality = 1.00: HB3 GLU 98 + HA SER 99 OK 97 99 100 98 4.0-4.1 7812/2.9=95, ~630=62 HB2 GLU 92 + HA PHE 93 OK 95 100 95 100 4.4-5.5 581/3.0=98, ~7770=69...(6) HB3 GLN 100 - HA SER 99 far 0 95 0 - 5.6-6.5 HB2 LYS 94 - HA PHE 93 far 0 77 0 - 5.6-6.2 HB3 GLU 89 - HA PHE 93 far 0 77 0 - 7.1-9.1 HB2 GLU 89 - HA PHE 93 far 0 77 0 - 7.4-8.7 HB3 GLU 91 - HA PHE 93 far 0 81 0 - 8.1-8.4 HB3 GLU 98 - HA PHE 93 far 0 100 0 - 8.4-8.9 HB2 LYS 94 - HA SER 99 far 0 75 0 - 9.7-10.9 HB3 GLN 100 - HA PHE 93 far 0 97 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 10084 from cnoeabs.peaks (1.67, 4.34, 60.45 ppm; 4.89 A increased from 4.60 A): 2 out of 7 assignments used, quality = 0.90: HD3 LYS 96 + HA PHE 93 OK 76 90 85 100 2.9-5.5 11310=84, 3.4/8210=78...(8) HD2 LYS 96 + HA PHE 93 OK 56 94 60 100 3.5-5.7 1.8/11310=98...(8) HG3 ARG 95 - HA PHE 93 far 10 99 10 - 4.6-7.7 HD2 LYS 65 - HA PHE 93 far 0 70 0 - 6.1-8.8 HD2 LYS 96 - HA SER 99 far 0 92 0 - 7.7-8.8 HG3 ARG 95 - HA SER 99 far 0 98 0 - 7.8-8.9 HD3 LYS 96 - HA SER 99 far 0 87 0 - 8.1-10.4 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 3.1-5.2 11309=97, 2.9/8210=94...(8) HG2 LYS 65 - HA PHE 93 far 0 77 0 - 7.5-9.4 HG3 LYS 96 - HA SER 99 far 0 96 0 - 8.1-10.3 HD3 LYS 106 - HA PHE 93 far 0 100 0 - 8.6-11.6 HD2 LYS 106 - HA PHE 93 far 0 100 0 - 9.5-12.2 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 3.8-5.1 2.9/8210=100...(7) HB3 LYS 61 - HA PHE 93 far 0 96 0 - 7.3-9.4 HG2 LYS 96 - HA SER 99 far 0 99 0 - 8.5-10.0 HG LEU 80 - HA PHE 93 far 0 100 0 - 9.1-9.6 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 1 assignment used, quality = 0.00: HE3 LYS 106 - HA PHE 93 far 0 99 0 - 9.8-11.4 Violated in 20 structures by 5.66 A. Peak 10088 from cnoeabs.peaks (0.89, 3.29, 38.99 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.69: QD1 LEU 90 + HB2 PHE 93 OK 69 70 100 100 4.6-5.4 10089/1.8=93...(5) QD2 LEU 90 - HB2 PHE 93 far 0 99 0 - 7.0-7.6 QG2 VAL 104 - HB2 PHE 93 far 0 100 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 10089 from cnoeabs.peaks (0.89, 3.04, 38.99 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.69: QD1 LEU 90 + HB3 PHE 93 OK 69 70 100 99 3.3-3.9 4668/2.4=80...(7) QD2 LEU 90 - HB3 PHE 93 far 0 99 0 - 5.9-6.4 QG2 VAL 104 - HB3 PHE 93 far 0 100 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 10090 from cnoeabs.peaks (0.77, 3.29, 38.99 ppm; 5.66 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 82 + HB2 PHE 93 OK 92 92 100 100 4.1-5.0 11398/2.4=85, ~9983=73...(6) QD2 LEU 64 - HB2 PHE 93 far 0 77 0 - 6.1-6.3 QD2 LEU 80 - HB2 PHE 93 far 0 96 0 - 7.1-7.5 QD1 LEU 80 - HB2 PHE 93 far 0 97 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (0.79, 4.34, 60.45 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.84: QD1 LEU 82 + HA PHE 93 OK 77 77 100 100 4.6-5.4 4667/3.7=93...(5) QD2 LEU 64 + HA PHE 93 OK 29 92 35 91 6.0-6.5 9693/5.6=63, 4685/7.2=54...(4) QD2 LEU 80 - HA PHE 93 far 0 70 0 - 6.6-7.1 QD1 LEU 80 - HA PHE 93 far 0 65 0 - 8.1-8.6 QD2 LEU 80 - HA SER 99 far 0 67 0 - 8.2-8.5 QD1 LEU 82 - HA SER 99 far 0 75 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 10092 from cnoeabs.peaks (0.78, 7.22, 131.64 ppm; 5.10 A): 3 out of 6 assignments used, quality = 1.00: QD1 LEU 82 + QD PHE 93 OK 93 93 100 100 1.9-2.9 11398=100, 2.1/9983=91...(11) QD2 LEU 64 + QD PHE 93 OK 93 93 100 100 3.8-4.2 9693/2.2=93, 4685/3.8=72...(10) QD2 LEU 80 + QD PHE 93 OK 68 92 75 99 4.8-5.3 9938=87, 9934/2.2=78...(5) QD1 LEU 80 - QD PHE 93 far 0 91 0 - 5.2-5.9 QD1 LEU 81 - QD PHE 93 far 0 84 0 - 8.3-8.8 QG1 VAL 107 - QD PHE 93 far 0 60 0 - 8.5-8.9 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 = 0.98: QG2 VAL 104 + QD PHE 93 OK 90 92 100 98 5.6-6.2 11091/9938=80...(3) QD1 LEU 90 + QD PHE 93 OK 67 67 100 100 3.7-4.3 10089/2.4=97...(3) QD2 LEU 90 + QD PHE 93 OK 50 90 60 93 6.1-6.6 ~10089=77, ~10088=69 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (0.76, 3.04, 38.99 ppm; 5.71 A): 1 out of 7 assignments used, quality = 0.80: QD1 LEU 82 + HB3 PHE 93 OK 80 81 100 100 2.7-3.5 10090/1.8=83, ~9983=74...(8) QD2 LEU 64 - HB3 PHE 93 poor 17 61 45 61 5.6-6.0 9693/4.4=39, 4685/5.8=21 QD2 LEU 80 - HB3 PHE 93 far 0 87 0 - 5.9-6.5 QD1 LEU 80 - HB3 PHE 93 far 0 90 0 - 6.9-7.5 QD1 LEU 45 - HB2 PHE 51 far 0 75 0 - 8.3-11.6 QG2 ILE 54 - HB2 PHE 51 far 0 50 0 - 8.8-11.4 QG1 VAL 107 - HB3 PHE 93 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10101 from cnoeabs.peaks (0.91, 3.62, 60.08 ppm; 4.02 A increased from 3.78 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 90 + HA LYS 94 OK 95 100 100 95 3.6-3.9 10099/3.0=55...(10) Violated in 0 structures by 0.00 A. Peak 10102 from cnoeabs.peaks (0.78, 3.62, 60.08 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 82 + HA LYS 94 OK 99 100 100 99 2.4-2.8 11491=65, 10100/3.0=57...(8) QD2 LEU 80 + HA LYS 94 OK 23 99 35 65 3.8-4.4 10133/10103=32...(4) QD1 LEU 80 - HA LYS 94 far 0 99 0 - 5.6-6.3 QD2 LEU 64 - HA LYS 94 far 0 100 0 - 5.8-6.1 QD1 LEU 81 - HA LYS 94 far 0 94 0 - 7.7-8.4 QG1 VAL 107 - HA LYS 94 far 0 70 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 10103 from cnoeabs.peaks (0.68, 3.62, 60.08 ppm; 5.18 A increased from 4.60 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 97 + HA LYS 94 OK 100 100 100 100 4.5-5.0 10119=96, 2.1/8214=91...(9) Violated in 0 structures by 0.00 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 3.2-4.1 10125=82, 3.2/8214=64...(11) QD2 LEU 68 - HA LYS 94 far 0 70 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 10107 from cnoeabs.peaks (2.28, 3.22, 43.41 ppm; 5.47 A): 2 out of 4 assignments used, quality = 0.85: HG3 GLU 91 + HD2 ARG 95 OK 76 98 85 92 3.4-7.3 ~11663=59, 11665/2.9=56 HG3 GLU 91 + HD3 ARG 95 OK 36 98 40 92 3.2-7.5 ~11663=59, 11665/2.9=56 HG3 GLU 92 - HD3 ARG 95 poor 15 73 20 - 4.8-8.2 HG3 GLU 92 - HD2 ARG 95 far 7 73 10 - 5.3-8.8 Violated in 2 structures by 0.07 A. Peak 10108 from cnoeabs.peaks (4.04, 3.22, 43.41 ppm; 5.51 A increased from 4.64 A): 2 out of 4 assignments used, quality = 0.96: HA GLU 92 + HD3 ARG 95 OK 82 100 85 97 2.6-5.8 7970/2.9=62, 8201/3.9=55...(5) HA GLU 92 + HD2 ARG 95 OK 78 100 80 97 2.9-6.2 7970/2.9=62, 8201/3.9=55...(5) HA GLU 87 - HD2 ARG 95 far 0 100 0 - 9.0-12.0 HA GLU 87 - HD3 ARG 95 far 0 100 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 10111 from cnoeabs.peaks (2.05, 3.94, 62.57 ppm; 5.03 A): 1 out of 3 assignments used, quality = 1.00: HB3 GLN 100 + HA ILE 97 OK 100 100 100 100 3.2-4.8 1.8/11120=56...(10) HB2 GLU 66 - HB3 SER 35 far 0 52 0 - 5.7-7.1 HB3 GLU 98 - HA ILE 97 far 0 99 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 10112 from cnoeabs.peaks (2.44, 3.94, 62.57 ppm; 5.78 A): 1 out of 5 assignments used, quality = 0.98: HG2 GLN 100 + HA ILE 97 OK 98 98 100 100 2.3-4.2 3.0/10111=83...(10) HG3 GLU 69 - HA ILE 97 far 0 100 0 - 6.8-10.3 HG3 GLU 98 - HA ILE 97 far 0 100 0 - 6.9-7.6 HG2 GLU 37 - HB3 SER 35 far 0 54 0 - 7.8-9.3 HG3 GLU 69 - HB3 SER 35 far 0 58 0 - 9.7-13.9 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 5 assignments used, quality = 0.00: HE3 LYS 39 - HB3 SER 35 poor 19 32 60 - 4.7-9.6 HE2 LYS 39 - HB3 SER 35 lone 3 36 60 15 3.2-9.3 ~9335=13 HE2 LYS 40 - HB3 SER 35 far 0 56 0 - 8.3-12.8 HE3 LYS 43 - HB3 SER 35 far 0 45 0 - 9.1-14.8 HE3 LYS 40 - HB3 SER 35 far 0 58 0 - 9.4-12.8 Violated in 4 structures by 0.11 A. Peak 10114 from cnoeabs.peaks (1.83, 0.68, 18.75 ppm; 3.34 A): 0 out of 2 assignments used, quality = 0.00: HB3 ARG 105 - QG2 ILE 97 far 0 77 0 - 8.3-8.9 HG LEU 70 - QG2 ILE 97 far 0 70 0 - 9.8-10.4 Violated in 20 structures by 4.76 A. Peak 10115 from cnoeabs.peaks (1.93, 0.68, 18.75 ppm; 4.80 A increased from 4.27 A): 1 out of 5 assignments used, quality = 0.84: HB VAL 104 + QG2 ILE 97 OK 84 84 100 100 4.4-4.6 10223=75, 2.1/10230=75...(10) HB3 LYS 65 - QG2 ILE 97 far 0 100 0 - 5.8-6.7 HB2 LYS 65 - QG2 ILE 97 far 0 100 0 - 6.9-7.4 HB2 LEU 81 - QG2 ILE 97 far 0 81 0 - 8.5-8.7 HB2 LEU 70 - QG2 ILE 97 far 0 94 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10116 from cnoeabs.peaks (2.36, 0.68, 18.75 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.93: HG3 GLN 100 + QG2 ILE 97 OK 82 84 100 98 2.3-4.7 10894/3.2=54, ~10112=50...(7) HG2 GLU 98 + QG2 ILE 97 OK 63 84 80 94 5.0-6.4 4.1/10135=65...(3) 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 2.5-3.0 2.5/4693=73, 10171=69...(13) Violated in 0 structures by 0.00 A. Peak 10118 from cnoeabs.peaks (2.75, 0.68, 18.75 ppm; 4.60 A increased from 4.09 A): 1 out of 1 assignment used, quality = 1.00: HB3 TYR 102 + QG2 ILE 97 OK 100 100 100 100 3.8-4.4 10177=100, 1.8/10117=94...(14) Violated in 0 structures by 0.00 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 4.5-5.0 10103=99, 8214/2.1=91...(9) Violated in 0 structures by 0.00 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 4.4-6.2 10104/2.1=97...(6) Violated in 3 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 4.4-5.8 10104/2.1=90...(6) Violated in 1 structures by 0.03 A. Peak 10124 from cnoeabs.peaks (3.78, 0.36, 11.90 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.82: HA LYS 65 + QD1 ILE 97 OK 82 92 100 89 3.2-3.9 3.9/10129=53...(6) HA LEU 68 - QD1 ILE 97 far 0 99 0 - 6.0-6.7 HB2 SER 58 - QD1 ILE 97 far 0 99 0 - 7.7-8.7 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 3.2-4.1 10104=85, 8214/3.2=56...(11) Violated in 0 structures by 0.00 A. Peak 10126 from cnoeabs.peaks (2.45, 0.36, 11.90 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.79: HG2 GLN 100 + QD1 ILE 97 OK 79 97 90 90 4.6-6.4 10112/6197=48, ~10116=37...(5) HG3 GLU 69 - QD1 ILE 97 far 0 90 0 - 6.6-8.1 HG3 GLU 98 - QD1 ILE 97 far 0 90 0 - 7.0-7.8 Violated in 10 structures by 0.03 A. Peak 10127 from cnoeabs.peaks (1.96, 0.36, 11.90 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.46: HB3 LYS 96 + QD1 ILE 97 OK 46 73 100 63 3.7-4.5 4.6/6196=49...(3) HB VAL 104 - QD1 ILE 97 far 0 94 0 - 5.4-6.0 HB3 ARG 95 - QD1 ILE 97 far 0 77 0 - 7.9-8.4 HB2 LEU 70 - QD1 ILE 97 far 0 84 0 - 9.7-10.2 Violated in 1 structures by 0.00 A. Peak 10128 from cnoeabs.peaks (1.65, 0.36, 11.90 ppm; 4.42 A): 2 out of 4 assignments used, quality = 0.95: HG LEU 64 + QD1 ILE 97 OK 91 97 100 94 3.4-4.2 2.1/11269=55...(7) HD2 LYS 65 + QD1 ILE 97 OK 39 99 45 88 3.7-6.2 3.0/10129=49, ~10981=39...(5) HD3 LYS 65 - QD1 ILE 97 far 15 100 15 - 4.1-5.7 HG LEU 90 - QD1 ILE 97 far 0 92 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10129 from cnoeabs.peaks (1.56, 0.36, 11.90 ppm; 5.26 A increased from 4.67 A): 1 out of 5 assignments used, quality = 0.67: HG2 LYS 65 + QD1 ILE 97 OK 67 73 95 95 3.4-5.5 ~10981=70, 3.9/10124=63...(4) HG3 LYS 96 - QD1 ILE 97 far 0 99 0 - 5.6-6.6 HD3 LYS 106 - QD1 ILE 97 far 0 100 0 - 8.2-10.3 HB VAL 78 - QD1 ILE 97 far 0 96 0 - 8.6-9.2 HD2 LYS 106 - QD1 ILE 97 far 0 99 0 - 8.9-10.6 Violated in 3 structures by 0.02 A. Peak 10130 from cnoeabs.peaks (1.42, 0.36, 11.90 ppm; 5.81 A): 1 out of 5 assignments used, quality = 0.65: HG LEU 80 + QD1 ILE 97 OK 65 65 100 100 3.8-4.4 2.1/9924=96, ~10133=78...(8) HG2 LYS 96 - QD1 ILE 97 poor 14 70 20 - 5.7-6.6 HB3 LYS 61 - QD1 ILE 97 far 9 94 10 - 5.5-7.4 HB3 LEU 63 - QD1 ILE 97 far 0 100 0 - 8.6-9.4 HB3 GLN 83 - QD1 ILE 97 far 0 100 0 - 9.8-10.3 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 = 0.89: HG3 LYS 94 + QD1 ILE 97 OK 89 99 100 90 5.1-5.8 5930/10104=78...(3) Violated in 0 structures by 0.00 A. Peak 10132 from cnoeabs.peaks (0.78, 0.36, 11.90 ppm; 3.13 A): 4 out of 7 assignments used, quality = 1.00: QD2 LEU 80 + QD1 ILE 97 OK 95 100 100 95 1.8-2.1 9923=45, 2.1/9924=44...(14) QD1 LEU 82 + QD1 ILE 97 OK 85 100 100 85 2.6-3.2 11397=42, 2.1/11396=37...(8) QD2 LEU 64 + QD1 ILE 97 OK 78 96 100 82 1.8-2.1 2.1/11269=33, 11270=30...(9) QD1 LEU 80 + QD1 ILE 97 OK 39 100 45 87 3.1-3.4 9924=51, 2.1/9923=33...(10) QD1 LEU 81 - QD1 ILE 97 far 0 81 0 - 7.5-7.9 QG1 VAL 107 - QD1 ILE 97 far 0 87 0 - 8.6-9.1 QD1 ILE 7 - QD1 ILE 97 far 0 96 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 10133 from cnoeabs.peaks (0.79, 0.68, 18.75 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.82: QD2 LEU 80 + QG2 ILE 97 OK 82 87 100 94 1.8-1.9 3.1/11107=40...(14) QD2 LEU 64 - QG2 ILE 97 far 0 99 0 - 3.6-4.0 QD1 LEU 80 - QG2 ILE 97 far 0 84 0 - 3.7-3.9 QD1 LEU 82 - QG2 ILE 97 far 0 92 0 - 4.1-4.7 QD1 LEU 81 - QG2 ILE 97 far 0 100 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 10134 from cnoeabs.peaks (0.81, 1.81, 37.21 ppm; 6.01 A increased from 4.81 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 64 + HB ILE 97 OK 99 99 100 100 5.2-5.9 11269/3.2=98, ~10128=47...(6) QD2 LEU 82 + HB ILE 97 OK 73 77 100 95 5.5-6.0 ~11397=71, 11396/3.2=65...(5) QG2 ILE 71 - HB ILE 97 far 0 97 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 10135 from cnoeabs.peaks (4.34, 0.68, 18.75 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 98 + QG2 ILE 97 OK 100 100 100 100 3.4-3.8 10162=91, ~623=60...(12) HA SER 99 - QG2 ILE 97 far 0 99 0 - 6.1-6.4 HA PHE 93 - QG2 ILE 97 far 0 100 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 10138 from cnoeabs.peaks (4.33, 0.36, 11.90 ppm; 5.72 A): 1 out of 3 assignments used, quality = 0.96: HA PHE 93 + QD1 ILE 97 OK 96 97 100 99 4.2-4.8 3.7/11312=75...(7) HA GLU 98 - QD1 ILE 97 far 0 100 0 - 5.8-6.0 HA SER 99 - QD1 ILE 97 far 0 92 0 - 8.5-8.7 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 5.1-5.8 4630/3.0=97...(11) QD PHE 79 - QD1 ILE 97 far 0 100 0 - 9.4-9.9 Violated in 1 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 4.3-4.9 4693/3.0=91, 4688/3.2=57...(17) Violated in 3 structures by 0.00 A. Peak 10141 from cnoeabs.peaks (7.09, 0.36, 11.90 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.89: HZ PHE 93 + QD1 ILE 97 OK 89 90 100 99 2.3-3.0 2.2/10142=74...(13) 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 2.6-2.9 2.2/10141=69...(13) QE PHE 120 - QD1 ILE 97 far 0 65 0 - 9.0-9.6 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 2 assignments used, quality = 0.90: QE PHE 93 + HG13 ILE 97 OK 90 90 100 100 3.3-4.7 4742/2.1=85, ~10141=85...(7) QD PHE 51 - HG13 ILE 54 far 0 52 0 - 7.0-9.3 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 4.6-5.1 ~4630=90, 4693/2.1=89...(15) 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 4.1-4.9 4693/3.2=87, ~4630=67...(13) 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 2.2-5.0 1.7/10165=97, 10164=81...(7) Violated in 0 structures by 0.00 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 4.8-5.2 3.0/10115=92...(9) 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 3.0-3.6 2.2/4693=97, 4630=95...(12) QD PHE 79 - QG2 ILE 97 far 0 94 0 - 8.0-8.5 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 3.5-3.9 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 1 assignment used, quality = 1.00: QD TYR 102 + QG2 ILE 97 OK 100 100 100 100 1.9-2.3 4693=100, 2.2/4630=66...(13) 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 - 9.5-9.9 Violated in 20 structures by 4.03 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 2.6-2.9 4.6=100 H VAL 29 - HG13 ILE 54 far 0 37 0 - 7.5-8.2 H MET 42 - HG13 ILE 54 far 0 43 0 - 9.8-11.1 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 = 0.66: H GLY 101 + HA GLU 98 OK 66 90 100 74 3.7-4.4 4.6/10166=64, 638/635=28 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 = 0.99: QG2 VAL 104 + HA GLU 98 OK 99 100 100 99 2.5-3.2 11411=78, 11510/3.0=64...(7) QD1 LEU 90 - HA GLU 98 far 0 70 0 - 8.1-8.6 QD2 LEU 90 - HA GLU 98 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 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 3.4-3.8 10135=73, ~623=52...(12) QD1 ILE 71 - HA GLU 98 far 0 61 0 - 9.9-10.7 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 = 0.54: H ILE 97 + HB3 SER 99 OK 32 81 75 53 5.5-7.3 2177/4.0=52 H ILE 97 + HB2 SER 99 OK 32 81 75 53 5.5-7.4 2177/4.0=52 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 1 assignment used, quality = 0.98: QG2 ILE 97 + HB2 TYR 102 OK 98 98 100 100 2.5-3.0 10117=95, 4693/2.5=79...(14) Violated in 0 structures by 0.00 A. Peak 10172 from cnoeabs.peaks (0.77, 2.47, 39.05 ppm; 5.84 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 80 + HB2 TYR 102 OK 100 100 100 100 4.7-5.1 11694/1.8=88...(5) QD2 LEU 80 + HB2 TYR 102 OK 99 99 100 100 2.6-3.4 4692/2.5=99...(7) QD2 LEU 64 - HB2 TYR 102 far 0 90 0 - 6.1-7.2 QD1 LEU 82 - HB2 TYR 102 far 0 98 0 - 6.3-7.3 QD1 LEU 81 - HB2 TYR 102 far 0 70 0 - 8.7-9.2 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 4.9-5.6 3.0/10171=97...(13) Violated in 0 structures by 0.00 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 4.3-5.1 9857=97, 9872/2.5=97...(8) HD3 LYS 94 - HB3 TYR 102 far 0 77 0 - 9.2-12.3 HD2 LYS 94 - HB3 TYR 102 far 0 77 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10176 from cnoeabs.peaks (0.78, 2.75, 39.05 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 80 + HB3 TYR 102 OK 100 100 100 100 3.3-4.4 4692/2.5=90...(9) QD1 LEU 80 - HB3 TYR 102 far 5 100 5 - 4.7-5.2 QD2 LEU 64 - HB3 TYR 102 far 0 97 0 - 6.6-8.0 QD1 LEU 82 - HB3 TYR 102 far 0 100 0 - 7.1-8.2 QD1 LEU 81 - HB3 TYR 102 far 0 84 0 - 8.6-9.3 QD1 ILE 7 - HB3 TYR 102 far 0 94 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10177 from cnoeabs.peaks (0.68, 2.75, 39.05 ppm; 4.52 A increased from 4.25 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 97 + HB3 TYR 102 OK 100 100 100 100 3.8-4.4 10118=94, 10117/1.8=93...(14) QD2 LEU 4 - HB3 TYR 102 far 0 100 0 - 9.8-10.5 QG2 ILE 56 - HB3 TYR 102 far 0 81 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10178 from cnoeabs.peaks (0.37, 2.75, 39.05 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.88: QD2 LEU 68 + HB3 TYR 102 OK 84 84 100 100 3.0-4.0 ~4695=84, 10199/4.4=79...(7) QD1 ILE 97 + HB3 TYR 102 OK 24 96 25 100 5.9-6.7 3.0/10177=95...(13) 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 3 assignments used, quality = 1.00: QG2 ILE 97 + QD TYR 102 OK 100 100 100 100 1.9-2.3 10152=100, 10117/2.5=92...(14) QD2 LEU 4 - QD TYR 102 far 0 100 0 - 8.6-9.3 QG2 ILE 56 - QD TYR 102 far 0 81 0 - 9.0-10.2 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 7 assignments used, quality = 0.99: HB2 GLN 100 + QE TYR 102 OK 98 98 100 100 2.1-3.9 10889=99, 1.8/4620=98...(6) HB3 MET 1 + QE TYR 76 OK 32 77 45 91 2.0-6.6 3.0/4606=78, ~10720=47 HB2 GLU 69 - QE TYR 102 far 0 97 0 - 5.5-7.1 HG2 GLU 48 - QE TYR 76 far 0 83 0 - 6.3-11.2 HB2 MET 42 - QE TYR 76 far 0 59 0 - 6.5-7.6 HB2 MET 67 - QE TYR 102 far 0 99 0 - 8.3-9.2 HB2 MET 42 - QE TYR 102 far 0 75 0 - 9.9-11.4 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 9 assignments used, quality = 0.99: HB3 GLN 100 + QE TYR 102 OK 99 99 100 100 2.2-3.7 10890=100, 1.8/4619=99...(6) HB2 MET 1 + QE TYR 76 OK 42 59 75 95 3.1-7.4 3.0/4606=86, ~10720=55 HB3 GLU 48 - QE TYR 76 far 0 82 0 - 6.6-10.4 HB2 GLU 48 - QE TYR 76 far 0 82 0 - 6.7-10.8 HB3 MET 67 - QE TYR 102 far 0 98 0 - 7.0-7.8 HG3 GLU 52 - QE TYR 76 far 0 85 0 - 8.0-11.6 HB2 GLU 47 - QE TYR 76 far 0 71 0 - 8.2-9.0 HB3 GLU 98 - QE TYR 102 far 0 94 0 - 9.0-9.8 HB2 GLU 66 - QE TYR 102 far 0 97 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 10187 from cnoeabs.peaks (1.90, 6.71, 118.26 ppm; 5.10 A): 2 out of 16 assignments used, quality = 1.00: HB ILE 71 + QE TYR 102 OK 98 99 100 99 2.6-4.2 2.1/9799=79...(8) HB2 LEU 45 + QE TYR 76 OK 79 79 100 100 3.1-3.7 1.8/4623=99, 3.1/4735=86...(10) HG LEU 45 - QE TYR 76 far 3 59 5 - 5.0-5.7 HB2 LYS 49 - QE TYR 76 far 0 85 0 - 5.3-11.1 HB2 LYS 73 - QE TYR 76 far 0 85 0 - 7.0-9.3 HB2 LYS 73 - QE TYR 102 far 0 99 0 - 7.5-8.6 HB ILE 71 - QE TYR 76 far 0 85 0 - 7.8-8.2 HB2 LYS 44 - QE TYR 76 far 0 62 0 - 8.0-9.3 HB2 LYS 96 - QE TYR 102 far 0 98 0 - 8.1-10.7 HB3 LYS 73 - QE TYR 76 far 0 84 0 - 8.1-8.8 HB3 LYS 44 - QE TYR 76 far 0 75 0 - 8.3-9.3 QE MET 67 - QE TYR 102 far 0 67 0 - 8.6-9.1 HB3 LYS 73 - QE TYR 102 far 0 99 0 - 8.7-9.3 QE MET 67 - QE TYR 76 far 0 52 0 - 9.2-10.9 HB3 LYS 43 - QE TYR 76 far 0 83 0 - 9.5-10.3 HB2 LYS 43 - QE TYR 76 far 0 73 0 - 9.7-10.4 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 13 assignments used, quality = 0.91: HG LEU 74 + QE TYR 76 OK 85 85 100 100 4.2-4.6 2.1/9818=96, ~4616=84...(7) HG12 ILE 71 + QE TYR 102 OK 41 94 45 98 5.1-6.6 3.2/9799=75, 2.1/9801=66...(5) HD3 LYS 73 - QE TYR 76 far 0 49 0 - 5.9-10.8 HD3 LYS 73 - QE TYR 102 far 0 63 0 - 6.7-10.2 HD2 LYS 73 - QE TYR 76 far 0 52 0 - 6.8-10.4 HG12 ILE 71 - QE TYR 76 far 0 77 0 - 6.8-7.4 HD2 LYS 73 - QE TYR 102 far 0 67 0 - 6.9-9.8 HD3 LYS 44 - QE TYR 76 far 0 85 0 - 7.2-12.0 HD2 LYS 44 - QE TYR 76 far 0 85 0 - 7.8-11.1 HG LEU 74 - QE TYR 102 far 0 99 0 - 7.9-8.5 HD3 LYS 96 - QE TYR 102 far 0 59 0 - 8.0-12.5 HD3 LYS 43 - QE TYR 76 far 0 49 0 - 8.6-11.9 HB ILE 56 - QE TYR 102 far 0 82 0 - 9.8-10.7 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 3.1-4.5 9872/2.2=89, ~4694=67...(10) QB ALA 46 + QE TYR 76 OK 49 79 100 63 3.9-5.1 9452=51, 9461/4629=23 HG2 LYS 65 - QE TYR 102 far 0 94 0 - 6.5-9.5 HB3 LEU 70 - QE TYR 76 far 0 65 0 - 6.5-8.2 HG12 ILE 3 - QE TYR 76 far 0 83 0 - 7.6-10.0 HB3 LEU 70 - QE TYR 102 far 0 82 0 - 7.9-8.6 HB VAL 78 - QE TYR 76 far 0 85 0 - 8.4-8.8 HG12 ILE 3 - QE TYR 102 far 0 98 0 - 9.4-13.2 HG3 LYS 96 - QE TYR 102 far 0 82 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 10190 from cnoeabs.peaks (1.46, 6.71, 118.26 ppm; 5.07 A): 1 out of 10 assignments used, quality = 0.82: HB2 LEU 74 + QE TYR 76 OK 82 82 100 100 3.4-4.3 3.1/9818=77, 3.0/4622=75...(8) HG2 LYS 49 - QE TYR 76 far 4 84 5 - 4.0-11.6 HG3 LYS 49 - QE TYR 76 far 4 84 5 - 5.2-11.3 HG LEU 4 - QE TYR 76 far 0 73 0 - 5.5-6.0 HB2 LEU 74 - QE TYR 102 far 0 97 0 - 6.3-7.8 HG3 LYS 73 - QE TYR 76 far 0 52 0 - 6.7-9.6 HG3 LYS 73 - QE TYR 102 far 0 67 0 - 6.8-8.5 HB3 LEU 6 - QE TYR 102 far 0 99 0 - 7.0-7.6 HG LEU 4 - QE TYR 102 far 0 90 0 - 7.8-9.2 HD2 LYS 53 - QE TYR 76 far 0 46 0 - 8.7-13.1 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 2.1-3.1 3.1/4633=98, 3.1/4632=96...(9) HG3 LYS 43 - QE TYR 76 far 0 52 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 10192 from cnoeabs.peaks (1.23, 6.71, 118.26 ppm; 6.20 A): 0 out of 3 assignments used, quality = 0.00: HG13 ILE 3 - QE TYR 76 far 0 77 0 - 7.3-8.5 HG12 ILE 54 - QE TYR 76 far 0 46 0 - 7.3-8.2 HG13 ILE 3 - QE TYR 102 far 0 94 0 - 9.7-12.4 Violated in 20 structures by 0.64 A. Peak 10193 from cnoeabs.peaks (1.03, 6.71, 118.26 ppm; 5.54 A): 2 out of 7 assignments used, quality = 0.92: HG3 LYS 2 + QE TYR 76 OK 81 81 100 100 2.9-3.8 2.9/4628=93, 4614/2.2=88...(5) HG13 ILE 71 + QE TYR 102 OK 56 95 60 98 5.2-6.9 3.2/9799=75, 2.1/9801=66...(5) HG13 ILE 71 - QE TYR 76 far 0 79 0 - 6.0-6.6 QD1 LEU 127 - QE TYR 76 far 0 52 0 - 7.9-9.7 QD1 LEU 127 - QE TYR 102 far 0 67 0 - 8.4-9.8 HB2 PHE 79 - QE TYR 102 far 0 82 0 - 8.4-9.5 HG3 LYS 2 - QE TYR 102 far 0 97 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (0.95, 6.71, 118.26 ppm; 5.70 A): 1 out of 10 assignments used, quality = 0.75: HD3 LYS 2 + QE TYR 76 OK 75 75 100 100 2.5-3.9 1.8/4626=97, 2.9/4627=95...(6) QD1 ILE 3 - QE TYR 76 far 0 49 0 - 7.1-8.4 QD1 ILE 3 - QE TYR 102 far 0 63 0 - 8.2-10.8 QD1 LEU 38 - QE TYR 102 far 0 87 0 - 8.3-8.9 HG13 ILE 56 - QE TYR 76 far 0 79 0 - 8.8-9.9 HG3 LYS 53 - QE TYR 76 far 0 56 0 - 9.1-11.5 QD2 LEU 127 - QE TYR 76 far 0 42 0 - 9.3-11.1 HG13 ILE 56 - QE TYR 102 far 0 95 0 - 9.7-10.6 QD2 LEU 127 - QE TYR 102 far 0 55 0 - 9.9-11.9 HD3 LYS 2 - QE TYR 102 far 0 92 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 10195 from cnoeabs.peaks (0.82, 6.71, 118.26 ppm; 3.82 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 71 + QE TYR 102 OK 87 99 95 92 2.2-4.1 9799=56, 9775/4633=35...(7) QD1 LEU 74 + QE TYR 76 OK 83 84 100 99 1.9-2.6 4616/2.2=79, 9818=68...(9) QD2 LEU 74 + QE TYR 76 OK 83 85 100 98 2.0-2.9 2.1/9818=57, 2.1/4622=51...(9) QG2 ILE 71 - QE TYR 76 far 0 84 0 - 5.1-5.6 QD1 LEU 74 - QE TYR 102 far 0 99 0 - 6.4-7.2 QD1 LEU 64 - QE TYR 102 far 0 97 0 - 7.1-7.7 QD2 LEU 74 - QE TYR 102 far 0 99 0 - 8.1-8.8 QD2 LEU 82 - QE TYR 102 far 0 97 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 10196 from cnoeabs.peaks (0.69, 6.71, 118.26 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.87: QG2 ILE 97 + QE TYR 102 OK 87 87 100 100 3.0-3.6 4693/2.2=84, 10150=56...(12) QD2 LEU 4 - QE TYR 76 far 0 59 0 - 4.9-5.2 QD2 LEU 4 - QE TYR 102 far 0 75 0 - 8.3-9.4 QG2 ILE 56 - QE TYR 102 far 0 99 0 - 9.0-10.0 QG2 ILE 56 - QE TYR 76 far 0 85 0 - 9.5-10.5 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 = 0.93: QD1 LEU 4 + QE TYR 76 OK 76 84 90 100 3.8-4.4 9037/2.2=80, 9038=56...(13) QD1 ILE 71 + QE TYR 102 OK 73 92 90 88 3.5-5.0 3.3/9799=49, 9801=33...(6) QD1 LEU 4 - QE TYR 102 far 0 99 0 - 6.2-7.3 QD1 ILE 71 - QE TYR 76 far 0 75 0 - 6.9-7.3 QD1 ILE 54 - QE TYR 76 far 0 73 0 - 7.8-8.4 QD1 ILE 56 - QE TYR 76 far 0 56 0 - 8.0-9.0 QD1 ILE 56 - QE TYR 102 far 0 71 0 - 9.8-10.7 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 3.3-4.0 2.1/4633=97, 9745=96...(11) Violated in 0 structures by 0.00 A. Peak 10199 from cnoeabs.peaks (0.37, 6.71, 118.26 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.90: QD2 LEU 68 + QE TYR 102 OK 90 90 100 100 2.8-4.1 2.1/4632=85, 9750=81...(14) QD1 ILE 97 - QE TYR 102 far 0 87 0 - 5.1-5.8 QD2 LEU 68 - QE TYR 76 far 0 73 0 - 9.8-10.4 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 4.3-4.9 3.0/4693=100, 10140=100...(17) 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 5 assignments used, quality = 0.75: HA MET 1 + QE TYR 76 OK 75 75 100 99 2.1-4.5 10715=91, 10720/2.2=87...(4) HB2 SER 72 - QE TYR 102 lone 2 82 100 2 2.0-5.2 HB3 SER 72 - QE TYR 102 lone 2 82 100 2 3.4-4.6 HB3 SER 72 - QE TYR 76 far 0 65 0 - 9.6-10.4 HB2 SER 72 - QE TYR 76 far 0 65 0 - 9.7-10.7 Violated in 0 structures by 0.00 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 2.5-4.1 3.7/11014=66...(7) QE TYR 102 - HB2 GLU 103 far 0 98 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (7.12, 2.26, 36.25 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.52: QE PHE 120 + HG2 GLU 103 OK 52 65 90 89 2.3-5.8 10209/1.8=71, ~10213=42...(4) QE PHE 93 - HG3 GLU 92 far 0 33 0 - 6.7-10.0 QE PHE 93 - HG2 GLU 89 far 0 37 0 - 9.6-11.3 Violated in 2 structures by 0.06 A. Peak 10208 from cnoeabs.peaks (6.71, 2.26, 36.25 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.72: QD PHE 79 + HG2 GLU 103 OK 72 77 100 93 2.8-5.3 10206/6359=82...(5) QE TYR 102 - HG2 GLU 103 far 0 90 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 10209 from cnoeabs.peaks (7.12, 2.32, 36.25 ppm; 5.58 A): 1 out of 5 assignments used, quality = 0.63: QE PHE 120 + HG3 GLU 103 OK 63 65 100 97 2.7-5.6 10207/1.8=90, ~10213=50...(4) QD PHE 51 - HG3 GLU 48 far 7 67 10 - 3.5-13.0 QE PHE 120 - HG2 GLU 112 far 0 20 0 - 7.6-11.1 QE PHE 93 - HG2 GLU 92 far 0 37 0 - 7.6-9.9 QE PHE 93 - HG3 GLU 89 far 0 26 0 - 8.2-11.5 Violated in 2 structures by 0.00 A. Peak 10210 from cnoeabs.peaks (6.74, 2.32, 36.25 ppm; 5.67 A): 1 out of 3 assignments used, quality = 0.63: QD PHE 79 + HG3 GLU 103 OK 63 73 95 91 3.5-5.8 10212/3.0=75, ~4650=25...(5) HD22 ASN 59 - HG3 GLU 13 far 0 21 0 - 8.5-12.0 QE TYR 102 - HG3 GLU 103 far 0 57 0 - 8.9-10.2 Violated in 1 structures by 0.01 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 2.9-4.4 10210/3.0=58...(5) QE TYR 102 - HB3 GLU 103 far 0 81 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 10213 from cnoeabs.peaks (6.78, 1.99, 30.37 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.82: QD PHE 120 + HB3 GLU 103 OK 82 97 100 84 4.4-5.7 ~10207=56, ~10209=51 Violated in 3 structures by 0.00 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: QD1 LEU 90 - HA GLU 103 far 0 99 0 - 9.4-9.9 HG13 ILE 97 - HA GLU 103 far 0 65 0 - 9.7-10.6 Violated in 20 structures by 4.75 A. Peak 10219 from cnoeabs.peaks (1.30, 5.23, 59.28 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.91: HB3 LEU 80 + HA VAL 104 OK 73 73 100 100 2.2-2.7 1.8/10220=97...(16) HG3 LYS 94 + HA VAL 104 OK 68 70 100 98 4.8-5.3 11509/3.2=68...(6) 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 5 assignments used, quality = 0.94: HB2 LEU 80 + HA VAL 104 OK 94 94 100 100 3.9-4.4 10815=87, 11383/3.2=64...(17) HG3 ARG 105 - HA VAL 104 far 0 96 0 - 4.6-6.4 HB3 LYS 94 - HA VAL 104 far 0 94 0 - 6.3-7.6 HB3 LEU 82 - HA VAL 104 far 0 96 0 - 7.0-7.5 HB2 LEU 68 - HA VAL 104 far 0 100 0 - 9.8-10.7 Violated in 1 structures by 0.00 A. Peak 10221 from cnoeabs.peaks (0.78, 5.23, 59.28 ppm; 4.80 A): 4 out of 7 assignments used, quality = 1.00: QD2 LEU 80 + HA VAL 104 OK 99 99 100 100 3.4-4.1 11091/3.2=86, 9930=80...(17) QD1 LEU 80 + HA VAL 104 OK 99 99 100 100 4.0-4.7 11605=80, 3.1/10220=71...(16) QD1 LEU 82 + HA VAL 104 OK 34 100 75 45 4.4-5.2 10231/3.2=36, 10222/3.0=13 QD1 LEU 81 + HA VAL 104 OK 25 94 35 78 4.7-5.1 10267/664=77 QD2 LEU 64 - HA VAL 104 far 0 100 0 - 7.1-7.9 QG1 VAL 107 - HA VAL 104 far 0 70 0 - 7.2-7.7 QD1 ILE 7 - HA VAL 104 far 0 84 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 10222 from cnoeabs.peaks (0.78, 1.95, 34.17 ppm; 4.44 A increased from 3.95 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 80 + HB VAL 104 OK 99 99 100 100 4.1-4.4 11091/2.1=94, ~11090=60...(18) QD1 LEU 82 + HB VAL 104 OK 22 100 35 62 4.2-5.2 10231/2.1=39...(3) QD1 LEU 80 - HB VAL 104 far 0 99 0 - 5.7-6.3 QD1 LEU 81 - HB VAL 104 far 0 94 0 - 6.6-7.0 QD2 LEU 64 - HB VAL 104 far 0 100 0 - 7.6-8.3 QG1 VAL 107 - HB VAL 104 far 0 70 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10223 from cnoeabs.peaks (0.68, 1.95, 34.17 ppm; 4.82 A increased from 4.54 A): 1 out of 2 assignments used, quality = 0.98: QG2 ILE 97 + HB VAL 104 OK 98 98 100 100 4.4-4.6 10230/2.1=85, 10115=76...(10) QD1 ILE 116 - HB VAL 104 far 0 99 0 - 9.1-9.7 Violated in 0 structures by 0.00 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 5.4-6.0 3.0/10223=89...(10) QD2 LEU 68 - HB VAL 104 far 0 65 0 - 6.9-8.0 Violated in 1 structures by 0.00 A. Peak 10225 from cnoeabs.peaks (1.30, 1.95, 34.17 ppm; 4.86 A increased from 4.32 A): 1 out of 1 assignment used, quality = 0.90: HB3 LEU 80 + HB VAL 104 OK 90 90 100 100 4.4-4.6 10969=82, 11088/2.1=77...(17) Violated in 0 structures by 0.00 A. Peak 10226 from cnoeabs.peaks (1.75, 0.93, 20.69 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.78: HB3 LYS 94 + QG1 VAL 104 OK 78 81 100 97 2.6-3.8 1.8/11454=61...(9) HB3 LEU 82 - QG1 VAL 104 far 0 84 0 - 4.3-4.9 HB2 LEU 80 - QG1 VAL 104 far 0 99 0 - 4.6-5.2 HG3 ARG 105 - QG1 VAL 104 far 0 100 0 - 4.6-5.5 HB2 LEU 68 - QG1 VAL 104 far 0 100 0 - 8.4-9.2 Violated in 1 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: HD2 LYS 106 - QG1 VAL 104 far 0 84 0 - 4.4-6.3 HD3 LYS 106 - QG1 VAL 104 far 0 87 0 - 4.5-5.6 HG12 ILE 116 - QG1 VAL 104 far 0 92 0 - 7.5-9.5 HG LEU 68 - QG1 VAL 104 far 0 81 0 - 7.7-8.4 HG3 LYS 96 - QG1 VAL 104 far 0 99 0 - 8.5-9.2 HB VAL 78 - QG1 VAL 104 far 0 70 0 - 9.7-10.3 Violated in 20 structures by 0.48 A. Peak 10228 from cnoeabs.peaks (1.30, 0.93, 20.69 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.81: HG3 LYS 94 + QG1 VAL 104 OK 68 70 100 97 1.8-2.0 3.0/10226=53...(9) HB3 LEU 80 + QG1 VAL 104 OK 40 73 55 99 3.5-4.0 ~11383=42, 3.0/11090=40...(16) 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 3.6-4.3 3.0/10230=71...(13) Violated in 0 structures by 0.00 A. Peak 10230 from cnoeabs.peaks (0.67, 0.93, 20.69 ppm; 4.18 A increased from 3.72 A): 1 out of 3 assignments used, quality = 0.85: QG2 ILE 97 + QG1 VAL 104 OK 85 90 95 100 3.9-4.3 2.1/11507=74...(11) QD1 ILE 116 - QG1 VAL 104 far 0 94 0 - 7.0-7.4 QD1 ILE 71 - QG1 VAL 104 far 0 70 0 - 8.5-9.0 Violated in 3 structures by 0.01 A. Peak 10231 from cnoeabs.peaks (0.79, 0.93, 20.69 ppm; 3.14 A): 2 out of 6 assignments used, quality = 0.93: QD2 LEU 80 + QG1 VAL 104 OK 83 94 90 99 2.6-3.3 11091/2.1=54...(20) QD1 LEU 82 + QG1 VAL 104 OK 60 97 100 62 1.9-2.8 10102/10236=19...(8) QD1 LEU 80 - QG1 VAL 104 far 0 92 0 - 3.4-4.5 QD1 LEU 81 - QG1 VAL 104 far 0 99 0 - 4.3-4.8 QD2 LEU 64 - QG1 VAL 104 far 0 100 0 - 5.3-6.1 QD1 ILE 7 - QG1 VAL 104 far 0 65 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 10232 from cnoeabs.peaks (2.36, 0.93, 20.69 ppm; 5.41 A increased from 4.56 A): 1 out of 2 assignments used, quality = 0.81: HG2 GLU 98 + QG1 VAL 104 OK 81 81 100 100 4.7-5.2 1.8/10233=88...(8) HG3 GLN 100 - QG1 VAL 104 far 0 87 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 10233 from cnoeabs.peaks (2.44, 0.93, 20.69 ppm; 5.10 A increased from 4.54 A): 1 out of 2 assignments used, quality = 0.98: HG3 GLU 98 + QG1 VAL 104 OK 98 99 100 100 3.8-4.8 3.0/11455=78...(7) HG2 GLN 100 - QG1 VAL 104 far 0 100 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 10234 from cnoeabs.peaks (2.92, 0.93, 20.69 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.92: HE3 LYS 94 + QG1 VAL 104 OK 92 99 100 93 3.8-4.6 4.8/10226=51...(5) HE3 LYS 65 - QG1 VAL 104 far 0 98 0 - 8.4-12.0 HE3 LYS 96 - QG1 VAL 104 far 0 96 0 - 8.9-10.6 HE2 LYS 96 - QG1 VAL 104 far 0 96 0 - 9.0-10.5 HE2 LYS 65 - QG1 VAL 104 far 0 98 0 - 9.0-12.1 Violated in 4 structures by 0.01 A. Peak 10235 from cnoeabs.peaks (3.04, 0.93, 20.69 ppm; 6.14 A increased from 5.17 A): 1 out of 1 assignment used, quality = 0.42: HB3 PHE 93 + QG1 VAL 104 OK 42 100 100 42 5.4-5.9 ~10093=26, 5943/11454=7...(4) Violated in 0 structures by 0.00 A. Peak 10236 from cnoeabs.peaks (3.63, 0.93, 20.69 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.88: HA LYS 94 + QG1 VAL 104 OK 88 90 100 99 2.2-2.8 3.0/10226=66...(12) Violated in 0 structures by 0.00 A. Peak 10238 from cnoeabs.peaks (4.33, 0.93, 20.69 ppm; 5.07 A increased from 4.77 A): 1 out of 5 assignments used, quality = 0.92: HA GLU 98 + QG1 VAL 104 OK 92 92 100 100 4.5-5.1 11411/2.1=87...(9) HA PHE 93 - QG1 VAL 104 far 0 81 0 - 6.4-6.9 HA SER 99 - QG1 VAL 104 far 0 70 0 - 8.3-8.8 HA GLN 100 - QG1 VAL 104 far 0 73 0 - 9.3-9.8 HB THR 9 - QG1 VAL 104 far 0 99 0 - 9.4-10.1 Violated in 0 structures by 0.00 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 4.5-4.7 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...(5) 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 = 0.91: HA ARG 105 + QG1 VAL 104 OK 87 87 100 100 3.3-3.7 3.0/11511=96, ~667=60...(5) HA LEU 82 + QG1 VAL 104 OK 34 96 95 38 4.8-5.5 3.9/10231=37 Violated in 0 structures by 0.00 A. Peak 10242 from cnoeabs.peaks (4.51, 0.93, 20.69 ppm; 5.75 A increased from 5.11 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 103 + QG1 VAL 104 OK 100 100 100 100 5.4-5.5 658/1690=98...(4) HA ASP 84 - QG1 VAL 104 far 0 99 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 10243 from cnoeabs.peaks (4.50, 0.88, 22.01 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.94: HA GLU 103 + QG2 VAL 104 OK 83 92 100 91 3.7-4.1 658/1691=79...(4) HA GLN 28 + QG2 VAL 29 OK 62 63 100 97 3.3-3.7 158/4.0=74, 10675/3.2=58...(4) 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 = 0.64: QE TYR 102 + QG2 VAL 104 OK 64 65 100 98 5.6-6.2 2.2/10245=80...(3) QD PHE 79 - QG2 VAL 104 far 0 81 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 10245 from cnoeabs.peaks (6.99, 0.88, 22.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 102 + QG2 VAL 104 OK 96 96 100 100 3.9-4.4 2.5/11670=86...(6) HZ PHE 79 - QG2 VAL 104 far 0 100 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10246 from cnoeabs.peaks (7.15, 0.88, 22.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.74: QE PHE 93 + QG2 VAL 104 OK 74 84 100 88 5.6-6.2 9934/11091=79...(3) QE PHE 120 - QG2 VAL 104 poor 17 87 20 - 6.2-6.7 Violated in 1 structures by 0.00 A. Peak 10250 from cnoeabs.peaks (7.01, 1.82, 32.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.94: HZ PHE 120 + HB3 ARG 105 OK 94 94 100 100 2.1-2.8 4714/3.0=91...(13) 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 2.7-4.5 2.2/4714=91, ~10255=69...(13) 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 2.0-3.8 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 1 assignment used, quality = 0.65: QE PHE 120 + HG3 ARG 105 OK 65 65 100 100 3.7-5.5 2.2/10255=93, ~4714=87...(12) Violated in 0 structures by 0.00 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 2.9-4.8 4714/1.8=97...(12) Violated in 3 structures by 0.00 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 - 8.5-10.5 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 4.6-5.7 2.2/10258=82...(10) Violated in 3 structures by 0.00 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 4.0-5.1 4714/3.0=93...(10) Violated in 0 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 4.0-5.4 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 2.3-2.8 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 1.9-3.1 10274/1.8=77...(16) 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 2.6-4.3 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 1 assignment used, quality = 0.84: QD1 ILE 116 + HD2 ARG 105 OK 84 84 100 100 2.4-3.8 10277/1.8=87...(10) 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 2.3-4.0 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 1 assignment used, quality = 0.69: QD1 ILE 116 + HD3 ARG 105 OK 69 70 100 100 2.6-4.6 10275/1.8=72...(11) Violated in 0 structures by 0.00 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 2.6-4.7 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): 1 out of 6 assignments used, quality = 0.92: QD2 LEU 90 + HA LYS 106 OK 92 92 100 100 2.3-3.0 1713/677=82...(15) QG2 VAL 107 - HA LYS 106 far 0 99 0 - 5.4-5.5 QG2 VAL 104 - HA LYS 106 far 0 87 0 - 6.7-7.0 QG2 VAL 117 - HA LYS 106 far 0 97 0 - 8.6-9.0 QG2 THR 9 - HA LYS 106 far 0 94 0 - 9.1-9.5 QD1 LEU 14 - HA LYS 106 far 0 84 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 10283 from cnoeabs.peaks (0.78, 5.58, 53.87 ppm; 3.85 A increased from 3.62 A): 2 out of 8 assignments used, quality = 0.95: QD1 LEU 81 + HA LYS 106 OK 79 84 100 94 3.5-3.9 11401=63, 1547/9974=52...(4) QG1 VAL 107 + HA LYS 106 OK 75 84 100 89 3.3-3.8 1714/677=58...(6) QD1 LEU 82 - HA LYS 106 far 0 100 0 - 4.6-5.1 QD1 LEU 80 - HA LYS 106 far 0 100 0 - 6.7-7.8 QD2 LEU 80 - HA LYS 106 far 0 100 0 - 7.3-7.9 QD1 ILE 7 - HA LYS 106 far 0 94 0 - 9.4-9.8 QD2 LEU 64 - HA LYS 106 far 0 97 0 - 9.5-10.1 QD2 LEU 14 - HA LYS 106 far 0 84 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 10284 from cnoeabs.peaks (0.87, 1.72, 35.30 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 90 + HB2 LYS 106 OK 92 92 100 100 3.2-4.0 10282/3.0=59...(12) QD2 LEU 90 + HB3 LYS 106 OK 91 91 100 100 1.9-2.7 1713/678=73...(12) QG2 VAL 107 - HB3 LYS 106 far 0 99 0 - 5.7-5.9 QG2 VAL 107 - HB2 LYS 106 far 0 99 0 - 6.1-6.4 QG2 VAL 104 - HB2 LYS 106 far 0 87 0 - 7.8-8.3 QG2 VAL 104 - HB3 LYS 106 far 0 86 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 10285 from cnoeabs.peaks (0.78, 1.72, 35.30 ppm; 5.24 A increased from 4.93 A): 1 out of 10 assignments used, quality = 0.67: QG1 VAL 107 + HB3 LYS 106 OK 67 69 100 97 4.7-5.1 4.0/678=83, ~10306=44...(5) QG1 VAL 107 - HB2 LYS 106 far 10 70 15 - 5.2-5.8 QD1 LEU 81 - HB3 LYS 106 far 0 93 0 - 5.4-5.8 QD1 LEU 81 - HB2 LYS 106 far 0 94 0 - 5.5-5.8 QD1 LEU 82 - HB3 LYS 106 far 0 100 0 - 5.8-6.8 QD1 LEU 82 - HB2 LYS 106 far 0 100 0 - 6.3-7.1 QD1 LEU 80 - HB3 LYS 106 far 0 98 0 - 8.7-9.8 QD2 LEU 80 - HB3 LYS 106 far 0 99 0 - 8.8-9.7 QD1 LEU 80 - HB2 LYS 106 far 0 99 0 - 8.8-10.0 QD2 LEU 80 - HB2 LYS 106 far 0 99 0 - 8.9-9.7 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 3 assignments used, quality = 1.00: QD2 LEU 90 + HG2 LYS 106 OK 100 100 100 100 1.9-2.0 10288/1.8=76...(11) QG2 VAL 104 - HG2 LYS 106 far 0 100 0 - 6.3-7.2 QG2 VAL 107 - HG2 LYS 106 far 0 84 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 10287 from cnoeabs.peaks (0.77, 1.46, 24.00 ppm; 5.38 A): 1 out of 6 assignments used, quality = 0.80: QD1 LEU 82 + HG2 LYS 106 OK 80 98 100 82 3.9-5.0 10289/1.8=67, ~9966=43 QG1 VAL 107 - HG2 LYS 106 far 14 94 15 - 5.3-6.0 QD1 LEU 81 - HG2 LYS 106 far 3 70 5 - 5.4-6.2 QD2 LEU 80 - HG2 LYS 106 far 0 99 0 - 7.0-8.3 QD1 LEU 80 - HG2 LYS 106 far 0 100 0 - 7.3-8.7 QD2 LEU 64 - HG2 LYS 106 far 0 90 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 10288 from cnoeabs.peaks (0.88, 1.40, 24.00 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 90 + HG3 LYS 106 OK 100 100 100 100 3.3-3.4 10286/1.8=79, ~11568=64...(12) QG2 VAL 104 - HG3 LYS 106 far 0 100 0 - 5.9-6.5 QG2 VAL 107 - HG3 LYS 106 far 0 84 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 10289 from cnoeabs.peaks (0.77, 1.40, 24.00 ppm; 5.94 A): 1 out of 5 assignments used, quality = 0.86: QD1 LEU 82 + HG3 LYS 106 OK 86 90 100 96 4.6-5.2 10287/1.8=90, 3.1/9966=61 QG1 VAL 107 - HG3 LYS 106 poor 20 99 20 - 5.7-6.4 QD2 LEU 80 - HG3 LYS 106 far 0 94 0 - 7.1-7.8 QD1 LEU 80 - HG3 LYS 106 far 0 96 0 - 7.5-8.4 QD2 LEU 64 - HG3 LYS 106 far 0 73 0 - 9.7-10.6 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 4 assignments used, quality = 0.65: QD2 LEU 90 + HD2 LYS 106 OK 49 61 90 88 1.9-4.2 ~11568=37, 10282/5.3=26...(9) QD2 LEU 90 + HD3 LYS 106 OK 32 61 60 87 2.7-4.3 ~11568=37, 10282/5.3=26...(9) QG2 VAL 107 - HD2 LYS 106 far 0 99 0 - 7.4-9.0 QG2 VAL 107 - HD3 LYS 106 far 0 99 0 - 8.1-8.9 Violated in 0 structures by 0.00 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 3.6-4.1 9974=100, 515/11401=65...(6) Violated in 0 structures by 0.00 A. Peak 10295 from cnoeabs.peaks (8.22, 0.87, 20.76 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.72: H GLU 112 + QG2 VAL 107 OK 72 73 100 98 3.4-3.8 10399=61, 3.0/10308=44...(11) H ASP 84 - QG2 VAL 107 far 0 84 0 - 4.8-5.4 H GLU 111 - QG2 VAL 107 far 0 99 0 - 4.8-5.3 H ILE 15 - QG2 VAL 107 far 0 57 0 - 9.3-9.7 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 3 assignments used, quality = 0.96: H ASP 109 + QG2 VAL 107 OK 96 96 100 100 2.1-2.5 10354=93, 691/7858=62...(16) H ARG 118 - QG2 VAL 107 far 0 65 0 - 7.6-8.5 H THR 9 - QG2 VAL 107 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 10298 from cnoeabs.peaks (8.11, 0.76, 21.72 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.94: H ALA 113 + QG1 VAL 107 OK 94 94 100 100 3.7-4.0 3.0/10314=84...(12) H VAL 117 - QG1 VAL 107 far 0 87 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 10305 from cnoeabs.peaks (5.26, 0.87, 20.76 ppm; 4.61 A increased from 4.10 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 83 + QG2 VAL 107 OK 100 100 100 100 3.9-4.4 10310/2.1=82...(14) HA LEU 81 - QG2 VAL 107 far 0 94 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 10306 from cnoeabs.peaks (5.59, 0.87, 20.76 ppm; 5.73 A increased from 5.09 A): 1 out of 1 assignment used, quality = 0.80: HA LYS 106 + QG2 VAL 107 OK 80 81 100 99 5.4-5.5 10311/2.1=78, 677/4.0=77...(5) Violated in 0 structures by 0.00 A. Peak 10307 from cnoeabs.peaks (3.80, 0.87, 20.76 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 113 + QG2 VAL 107 OK 100 100 100 100 2.2-3.2 2.1/10898=75...(13) HA LYS 115 - QG2 VAL 107 far 0 100 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 10308 from cnoeabs.peaks (3.99, 0.87, 20.76 ppm; 5.80 A): 1 out of 3 assignments used, quality = 0.98: HA GLU 112 + QG2 VAL 107 OK 98 98 100 100 3.7-4.2 3.0/10295=90, ~11063=66...(9) HA GLU 111 - QG2 VAL 107 far 15 100 15 - 5.9-6.0 HA LEU 14 - QG2 VAL 107 far 0 98 0 - 7.2-7.6 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 3.9-4.2 2.9/690=86, ~7858=64...(15) Violated in 0 structures by 0.00 A. Peak 10310 from cnoeabs.peaks (5.26, 0.76, 21.72 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 83 + QG1 VAL 107 OK 100 100 100 100 1.9-2.4 10302/1714=66...(15) HA LEU 81 - QG1 VAL 107 far 0 94 0 - 4.5-4.9 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 = 0.98: HA LYS 106 + QG1 VAL 107 OK 98 99 100 99 3.3-3.8 677/1714=94...(6) 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 96 96 100 100 5.1-5.7 3.5/11020=96...(10) HE21 GLN 83 + QG1 VAL 107 OK 94 94 100 100 4.3-4.7 3.5/11020=96...(12) 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 = 0.94: HE21 GLN 83 + QG2 VAL 107 OK 92 94 100 98 3.9-5.0 3.5/10012=65...(8) HE22 GLN 83 + QG2 VAL 107 OK 28 96 30 98 4.9-6.3 3.5/10012=65...(8) Violated in 0 structures by 0.00 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 2.5-3.0 10415=83, 2.1/11513=74...(12) HA LYS 115 - QG1 VAL 107 far 0 99 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 10315 from cnoeabs.peaks (1.44, 2.12, 35.23 ppm; 5.32 A increased from 4.48 A): 1 out of 4 assignments used, quality = 0.77: HB3 GLN 83 + HB VAL 107 OK 77 77 100 100 4.7-5.1 ~10009=77, ~11020=63...(13) HG3 LYS 17 - HG2 GLU 21 far 0 75 0 - 5.5-6.6 HG3 LYS 17 - HG3 GLU 21 far 0 66 0 - 5.8-8.0 HG LEU 80 - HB VAL 107 far 0 98 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10316 from cnoeabs.peaks (1.70, 2.12, 35.23 ppm; 5.70 A increased from 4.56 A): 2 out of 10 assignments used, quality = 0.92: HB3 LYS 106 + HB VAL 107 OK 83 84 100 99 5.3-5.7 4.6/1712=79...(5) HB2 LYS 106 + HB VAL 107 OK 53 77 70 99 5.6-5.9 4.6/1712=79, ~10285=69...(5) HD2 LYS 20 - HG2 GLU 21 far 3 57 5 - 2.6-7.3 HD3 LYS 20 - HG2 GLU 21 far 3 54 5 - 3.9-7.7 HD2 LYS 20 - HG3 GLU 21 far 2 49 5 - 4.3-8.8 HD3 LYS 20 - HG3 GLU 21 far 2 47 5 - 5.6-9.1 HD2 LYS 16 - HG2 GLU 21 far 0 51 0 - 7.9-11.1 HD3 LYS 16 - HG2 GLU 21 far 0 60 0 - 8.3-11.6 HD2 LYS 16 - HG3 GLU 21 far 0 44 0 - 8.6-12.7 HD3 LYS 16 - HG3 GLU 21 far 0 52 0 - 8.8-13.1 Violated in 0 structures by 0.00 A. Peak 10322 from cnoeabs.peaks (0.87, 1.25, 21.44 ppm; 3.69 A): 1 out of 6 assignments used, quality = 0.61: QD2 LEU 90 + QG2 THR 108 OK 61 92 100 66 3.1-3.7 10057/10326=31...(5) QG2 VAL 107 - QG2 THR 108 far 0 99 0 - 4.0-4.4 QD1 LEU 14 - QG2 THR 108 far 0 84 0 - 7.5-8.1 QG2 THR 9 - QG2 THR 108 far 0 94 0 - 8.7-9.1 QG2 VAL 117 - QG2 THR 108 far 0 97 0 - 9.4-10.2 QG2 VAL 104 - QG2 THR 108 far 0 87 0 - 9.7-10.3 Violated in 2 structures by 0.00 A. Peak 10323 from cnoeabs.peaks (0.75, 1.25, 21.44 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.77: QG1 VAL 107 + QG2 THR 108 OK 77 84 100 92 4.3-4.6 4.2/1718=60...(6) QD2 LEU 14 - QG2 THR 108 far 0 84 0 - 7.0-7.4 QG2 ILE 7 - QG2 THR 108 far 0 98 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 10325 from cnoeabs.peaks (2.05, 1.25, 21.44 ppm; 5.36 A increased from 4.51 A): 2 out of 6 assignments used, quality = 0.86: HB3 GLN 85 + QG2 THR 108 OK 72 81 90 100 4.2-5.6 3.0/10030=90...(5) HB3 GLU 87 + QG2 THR 108 OK 48 81 60 99 4.7-5.6 4058/10326=91...(5) HB3 GLU 91 - QG2 THR 108 far 0 77 0 - 7.6-8.4 HB2 GLU 89 - QG2 THR 108 far 0 81 0 - 8.0-9.8 HB2 LYS 94 - QG2 THR 108 far 0 73 0 - 8.9-9.8 HB3 GLU 89 - QG2 THR 108 far 0 81 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10326 from cnoeabs.peaks (2.30, 1.25, 21.44 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.92: HG2 GLU 87 + QG2 THR 108 OK 92 100 100 93 2.8-3.7 10974=62, 10057/10322=46...(5) HG3 GLU 87 - QG2 THR 108 poor 20 100 20 - 4.0-4.7 HG3 GLU 89 - QG2 THR 108 far 0 84 0 - 7.0-9.8 HG3 GLU 91 - QG2 THR 108 far 0 90 0 - 8.2-9.2 HG2 GLU 111 - QG2 THR 108 far 0 90 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. Peak 10328 from cnoeabs.peaks (2.68, 1.25, 21.44 ppm; 6.04 A): 1 out of 3 assignments used, quality = 0.57: HB3 ASP 84 + QG2 THR 108 OK 57 65 100 87 4.7-5.7 4.1/10336=65...(3) HB3 ASP 110 - QG2 THR 108 far 0 100 0 - 8.3-9.3 HE3 LYS 61 - QG2 THR 108 far 0 96 0 - 9.6-16.2 Violated in 0 structures by 0.00 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 4 84 40 13 4.3-7.2 11183/10322=12 HE3 LYS 106 - QG2 THR 108 far 0 87 0 - 5.5-7.7 Violated in 11 structures by 0.40 A. Peak 10330 from cnoeabs.peaks (4.05, 1.25, 21.44 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.86: HA GLU 87 + QG2 THR 108 OK 86 87 100 99 4.4-5.1 11410=81, 4.0/10326=79...(5) Violated in 0 structures by 0.00 A. Peak 10331 from cnoeabs.peaks (4.32, 1.25, 21.44 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.80: HA GLN 85 + QG2 THR 108 OK 80 84 100 95 2.0-3.3 10030=77, 3.0/11122=45...(5) HB THR 9 - QG2 THR 108 far 0 100 0 - 8.3-8.9 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 2.7-3.3 10030/2.1=91, ~11122=62...(4) Violated in 0 structures by 0.00 A. Peak 10334 from cnoeabs.peaks (7.21, 1.25, 21.44 ppm; 5.56 A increased from 4.94 A): 1 out of 3 assignments used, quality = 0.99: HE21 GLN 83 + QG2 THR 108 OK 99 99 100 100 5.0-5.3 10014=94, 10002/3.2=89...(4) HE22 GLN 83 - QG2 THR 108 far 0 99 0 - 6.1-6.8 QD PHE 93 - QG2 THR 108 far 0 73 0 - 9.5-10.2 Violated in 0 structures by 0.00 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 3.2-3.6 10019=94, 10023/3.2=92...(7) H GLU 89 - QG2 THR 108 far 0 90 0 - 7.7-8.2 H GLU 111 - QG2 THR 108 far 0 100 0 - 8.2-8.6 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 4.1-4.9 3.6/10030=82, 10045=73...(6) H ASP 110 - QG2 THR 108 far 0 100 0 - 6.9-7.1 H ARG 105 - QG2 THR 108 far 0 97 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 10342 from cnoeabs.peaks (8.22, 2.82, 43.69 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.98: H GLU 112 + HB2 ASP 109 OK 89 90 100 100 2.3-3.8 10403=81, 10402/1.8=76...(9) H GLU 111 + HB2 ASP 109 OK 79 92 95 91 3.6-4.8 1953/697=57...(4) H ASP 84 - HB2 ASP 109 far 0 65 0 - 8.3-9.1 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 = 0.96: H GLU 111 + HB3 ASP 109 OK 87 99 100 88 2.5-3.4 1953/698=68...(4) H GLU 112 + HB3 ASP 109 OK 71 73 100 97 2.1-3.1 10402=61, 10403/1.8=44...(10) H ASP 84 - HB3 ASP 109 far 0 84 0 - 9.2-10.0 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 1 assignment used, quality = 0.67: H THR 108 + HB3 ASP 109 OK 67 73 100 91 4.5-5.5 4.6/1722=75, 4.2/10364=64 Violated in 3 structures by 0.00 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 - 8.1-12.1 HG3 GLN 85 - HB2 ASP 109 far 0 90 0 - 8.5-12.2 Violated in 20 structures by 3.63 A. Peak 10357 from cnoeabs.peaks (2.32, 2.82, 43.69 ppm; 5.53 A): 2 out of 3 assignments used, quality = 0.97: HG2 GLU 112 + HB2 ASP 109 OK 83 84 100 99 1.9-5.6 4.9/10403=63...(11) HG3 GLU 112 + HB2 ASP 109 OK 80 81 100 99 2.7-4.9 4.9/10403=63...(11) HG2 GLN 83 - HB2 ASP 109 far 0 87 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 10358 from cnoeabs.peaks (2.08, 2.82, 43.69 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLU 112 + HB2 ASP 109 OK 97 100 100 97 2.2-4.0 4.0/10403=43...(12) HB2 GLU 112 + HB2 ASP 109 OK 91 100 95 95 2.0-4.7 4.0/10403=43...(11) HB2 GLU 111 - HB2 ASP 109 far 8 77 10 - 4.1-6.4 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 99 100 100 3.1-3.9 10354/1721=86...(8) QD1 LEU 14 - HB2 ASP 109 far 0 99 0 - 5.9-7.0 QD2 LEU 90 - HB2 ASP 109 far 0 61 0 - 8.3-9.3 QG2 VAL 117 - HB2 ASP 109 far 0 100 0 - 9.0-10.2 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: HB3 GLU 112 + HB3 ASP 109 OK 91 100 95 96 2.4-4.6 4.0/10402=42...(14) HB2 GLU 112 + HB3 ASP 109 OK 80 100 85 94 2.1-5.4 4.0/10402=42...(13) HB2 GLU 111 + HB3 ASP 109 OK 30 77 65 60 2.8-4.8 4.6/10402=36...(3) Violated in 0 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 3.5-4.7 10360/1.8=74...(11) QD1 LEU 14 - HB3 ASP 109 far 0 100 0 - 5.8-6.4 QG2 VAL 117 - HB3 ASP 109 far 0 98 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 10371 from cnoeabs.peaks (0.85, 4.09, 57.39 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.99: QD1 LEU 14 + HA ASP 110 OK 99 99 100 100 1.9-2.8 9168=85, 2.1/10372=62...(12) QG2 VAL 107 - HA ASP 110 far 0 84 0 - 3.9-4.5 QG2 THR 9 - HA ASP 110 far 0 96 0 - 6.4-7.1 QG2 VAL 117 - HA ASP 110 far 0 92 0 - 7.5-8.0 QG2 ILE 57 - HA ASP 110 far 0 77 0 - 9.7-10.7 QG2 ILE 15 - HA ASP 110 far 0 96 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 10372 from cnoeabs.peaks (0.77, 4.09, 57.39 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 14 + HA ASP 110 OK 99 99 100 100 1.9-2.7 2.1/10371=73, 9169=63...(14) QG1 VAL 107 - HA ASP 110 far 0 99 0 - 4.9-5.4 QD1 ILE 15 - HA ASP 110 far 0 100 0 - 7.5-9.8 QD1 ILE 7 - HA ASP 110 far 0 100 0 - 8.8-9.5 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 3.2-5.4 11478/10377=82...(6) HD3 LYS 16 - HB2 ASP 110 far 0 94 0 - 7.7-10.7 HD2 LYS 16 - HB2 ASP 110 far 0 98 0 - 8.8-11.1 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 = 0.99: HD3 LYS 17 + HB2 ASP 110 OK 99 99 100 99 4.0-5.9 10383/1.8=85...(5) HB3 LEU 14 + HB2 ASP 110 OK 46 77 60 100 5.0-6.5 3.1/10910=95...(10) 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 4.0-5.1 8234/3.0=89...(8) HB3 LEU 114 - HB2 ASP 110 far 0 97 0 - 7.3-9.3 HG3 LYS 16 - HB2 ASP 110 far 0 96 0 - 7.4-9.6 HB3 GLN 83 - HB2 ASP 110 far 0 73 0 - 7.7-8.9 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 2.1-3.8 10910=99, 10371/3.0=70...(12) QG2 VAL 107 - HB2 ASP 110 far 0 84 0 - 5.9-6.5 QG2 THR 9 - HB2 ASP 110 far 0 96 0 - 6.8-8.1 QG2 VAL 117 - HB2 ASP 110 far 0 92 0 - 8.2-9.8 QG2 ILE 15 - HB2 ASP 110 far 0 96 0 - 9.2-10.7 QG2 ILE 57 - HB2 ASP 110 far 0 77 0 - 9.8-11.3 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 1.9-3.1 2.1/10910=94...(13) QG1 VAL 107 - HB2 ASP 110 far 0 84 0 - 6.8-7.5 QD1 ILE 15 - HB2 ASP 110 far 0 87 0 - 7.5-10.1 QD1 LEU 81 - HB2 ASP 110 far 0 84 0 - 8.9-9.9 QD1 ILE 7 - HB2 ASP 110 far 0 94 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 10382 from cnoeabs.peaks (1.67, 2.68, 40.30 ppm; 5.55 A increased from 4.67 A): 1 out of 6 assignments used, quality = 0.90: HD2 LYS 17 + HB3 ASP 110 OK 90 92 100 98 4.6-5.3 1.8/10383=80...(5) HG LEU 114 - HB3 ASP 110 poor 13 61 35 62 5.3-6.5 11519/11419=57, 6681/10384=10 HD2 LYS 115 - HB3 ASP 110 far 0 81 0 - 8.6-12.3 HD3 LYS 16 - HB3 ASP 110 far 0 65 0 - 8.9-11.1 HD3 LYS 115 - HB3 ASP 110 far 0 90 0 - 9.7-13.7 HD2 LYS 16 - HB3 ASP 110 far 0 77 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 10383 from cnoeabs.peaks (1.51, 2.68, 40.30 ppm; 5.67 A increased from 5.33 A): 1 out of 2 assignments used, quality = 0.92: HD3 LYS 17 + HB3 ASP 110 OK 92 96 100 97 4.9-5.7 1.8/10382=74, ~10374=58...(4) HB3 LEU 14 - HB3 ASP 110 far 4 90 5 - 5.4-7.5 Violated in 1 structures by 0.00 A. Peak 10384 from cnoeabs.peaks (1.40, 2.68, 40.30 ppm; 5.45 A increased from 5.13 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 113 + HB3 ASP 110 OK 92 92 100 100 4.6-5.4 10376/1.8=88...(6) HB3 LEU 114 - HB3 ASP 110 far 0 100 0 - 8.1-9.4 HG3 LYS 16 - HB3 ASP 110 far 0 99 0 - 8.8-10.1 Violated in 0 structures by 0.00 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 90 96 95 99 3.8-5.9 2641/10910=87...(6) HA GLU 111 + HB2 ASP 110 OK 89 90 100 99 4.3-5.6 2.9/7867=93, ~702=74, ~7868=72 HA LYS 17 - HB2 ASP 110 far 0 77 0 - 7.6-9.9 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...(5) HA THR 9 - HA ASP 110 far 0 100 0 - 8.0-8.7 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: HE22 GLN 83 + HA ASP 110 OK 65 100 90 72 3.4-5.9 10016/10372=42...(3) HE21 GLN 83 + HA ASP 110 OK 55 100 100 55 3.8-5.0 10016/10372=42, 975/8233=21 Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (8.23, 1.41, 18.60 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: H GLU 112 + QB ALA 113 OK 100 100 100 100 4.0-4.3 10398=95, 709/1741=92...(10) H GLU 111 - QB ALA 113 far 3 65 5 - 4.7-5.1 H ILE 15 - QB ALA 113 far 0 97 0 - 6.0-6.7 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 2 assignments used, quality = 0.97: H ASP 110 + QB ALA 113 OK 97 97 100 100 4.8-5.1 3.0/8233=100, 10367=95...(13) H ARG 105 - QB ALA 113 far 0 73 0 - 8.1-8.8 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 4.2-4.8 1957/717=87...(9) HE ARG 105 - QB ALA 113 far 0 94 0 - 7.0-11.2 H LYS 16 - QB ALA 113 far 0 99 0 - 7.7-8.5 HE21 GLN 85 - QB ALA 113 far 0 73 0 - 7.8-12.9 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 2 assignments used, quality = 0.91: HE21 GLN 83 + QB ALA 113 OK 72 81 100 90 4.4-5.2 3.5/10425=42...(8) HE22 GLN 83 + QB ALA 113 OK 66 77 95 90 4.3-6.1 3.5/10425=42...(8) Violated in 0 structures by 0.00 A. Peak 10412 from cnoeabs.peaks (2.10, 3.80, 55.38 ppm; 5.17 A): 2 out of 8 assignments used, quality = 0.92: HB3 GLU 112 + HA ALA 113 OK 80 81 100 100 3.9-4.7 711/3.0=82...(10) HB VAL 107 + HA ALA 113 OK 61 61 100 100 3.3-4.5 2.1/10307=99...(13) HB2 GLU 112 - HA ALA 113 far 13 84 15 - 4.0-5.6 HB2 GLU 111 - HA ALA 113 far 0 100 0 - 7.7-8.6 HG3 GLU 21 - HA ALA 113 far 0 97 0 - 8.2-10.7 HG2 GLU 21 - HA ALA 113 far 0 94 0 - 8.5-10.5 HB2 GLU 21 - HA ALA 113 far 0 61 0 - 9.0-9.6 HB3 GLU 119 - HA ALA 113 far 0 70 0 - 9.9-10.8 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 2.2-3.8 2.9/8252=95...(13) Violated in 0 structures by 0.00 A. Peak 10414 from cnoeabs.peaks (0.85, 3.80, 55.38 ppm; 3.79 A): 1 out of 9 assignments used, quality = 0.84: QG2 VAL 107 + HA ALA 113 OK 84 84 100 100 2.2-3.2 10307=78, 2.1/10314=73...(12) QG2 VAL 117 - HA ALA 113 far 9 92 10 - 3.7-4.2 QD1 LEU 14 - HA ALA 113 far 0 99 0 - 4.1-4.3 QG2 THR 9 - HA ALA 113 far 0 96 0 - 6.1-7.0 QG2 ILE 5 - HA ALA 113 far 0 81 0 - 7.2-8.2 QG2 ILE 57 - HA ALA 113 far 0 77 0 - 8.8-9.9 QG2 VAL 22 - HA ALA 113 far 0 100 0 - 9.4-10.8 HG13 ILE 57 - HA ALA 113 far 0 99 0 - 9.7-11.2 QG2 ILE 15 - HA ALA 113 far 0 96 0 - 9.8-10.9 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 2.5-3.0 10314=91, 2.1/10307=74...(12) QG2 ILE 7 - HA ALA 113 far 0 92 0 - 4.4-5.3 QD1 ILE 7 - HA ALA 113 far 0 84 0 - 5.5-6.4 QD2 LEU 14 - HA ALA 113 far 0 94 0 - 6.0-6.1 QD1 ILE 15 - HA ALA 113 far 0 92 0 - 8.6-11.1 QD2 LEU 55 - HA ALA 113 far 0 65 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 10416 from cnoeabs.peaks (0.68, 3.80, 55.38 ppm; 4.93 A increased from 3.94 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 116 + HA ALA 113 OK 100 100 100 100 3.9-5.0 10475=97, 3.2/8252=74...(13) QD2 LEU 114 + HA ALA 113 OK 78 84 100 93 4.4-4.9 1748/3.6=66...(5) QD1 LEU 55 - HA ALA 113 far 0 100 0 - 8.4-9.8 Violated in 0 structures by 0.00 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 4.1-4.7 2.1/8252=99...(16) Violated in 0 structures by 0.00 A. Peak 10418 from cnoeabs.peaks (0.85, 1.41, 18.60 ppm; 2.87 A): 2 out of 9 assignments used, quality = 0.99: QD1 LEU 14 + QB ALA 113 OK 95 99 100 95 1.7-1.9 11517=56, 2.1/11518=34...(14) QG2 VAL 107 + QB ALA 113 OK 74 84 90 97 2.3-3.1 2.1/11513=58, 10898=50...(17) QG2 VAL 117 - QB ALA 113 far 0 92 0 - 3.6-3.9 QG2 THR 9 - QB ALA 113 far 0 96 0 - 4.0-4.6 QG2 ILE 57 - QB ALA 113 far 0 77 0 - 6.4-7.3 QG2 ILE 5 - QB ALA 113 far 0 81 0 - 6.6-7.1 QG2 ILE 15 - QB ALA 113 far 0 96 0 - 7.0-7.7 HG13 ILE 57 - QB ALA 113 far 0 99 0 - 7.4-8.6 QG2 VAL 22 - QB ALA 113 far 0 100 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 10419 from cnoeabs.peaks (0.72, 1.41, 18.60 ppm; 3.41 A increased from 3.03 A): 1 out of 8 assignments used, quality = 0.63: QD2 LEU 81 + QB ALA 113 OK 63 87 100 73 2.8-3.4 9956/2.1=44, ~11606=33...(5) HG13 ILE 18 - QB ALA 113 far 13 90 15 - 3.4-4.2 QG2 ILE 18 - QB ALA 113 far 0 100 0 - 4.5-5.2 QG1 VAL 117 - QB ALA 113 far 0 100 0 - 5.7-6.0 QD1 ILE 57 - QB ALA 113 far 0 90 0 - 6.7-7.6 QD2 LEU 55 - QB ALA 113 far 0 65 0 - 7.0-7.8 QD1 LEU 6 - QB ALA 113 far 0 100 0 - 8.1-8.5 QD2 LEU 6 - QB ALA 113 far 0 70 0 - 9.3-9.9 Violated in 1 structures by 0.00 A. Peak 10420 from cnoeabs.peaks (0.67, 1.41, 18.60 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.93: QD2 LEU 114 + QB ALA 113 OK 93 99 100 94 2.3-2.9 1748/717=51, 6695=34...(11) QD1 ILE 116 - QB ALA 113 far 0 77 0 - 4.9-5.8 QD1 LEU 55 - QB ALA 113 far 0 61 0 - 7.0-7.9 Violated in 0 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 = 0.94: QD1 ILE 18 + QB ALA 113 OK 94 97 100 97 2.0-2.8 9197=58, 2.1/11010=51...(8) QD1 ILE 5 - QB ALA 113 far 0 65 0 - 8.6-9.1 Violated in 0 structures by 0.00 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 4.1-4.7 8252/2.1=70...(17) HG LEU 114 + QB ALA 113 OK 89 90 100 100 3.3-3.7 2.1/10420=96...(9) HD3 LYS 115 - QB ALA 113 far 0 61 0 - 6.4-9.0 HD2 LYS 115 - QB ALA 113 far 0 73 0 - 6.5-8.0 HB2 LEU 82 - QB ALA 113 far 0 61 0 - 7.6-8.3 HG2 LYS 16 - QB ALA 113 far 0 84 0 - 8.1-10.1 HB ILE 5 - QB ALA 113 far 0 98 0 - 9.2-9.8 HG LEU 90 - QB ALA 113 far 0 100 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 10423 from cnoeabs.peaks (2.10, 1.41, 18.60 ppm; 4.08 A): 2 out of 7 assignments used, quality = 0.82: HB3 GLU 112 + QB ALA 113 OK 71 81 90 98 3.9-4.3 711/1741=68...(13) HB VAL 107 + QB ALA 113 OK 37 61 60 100 3.9-5.0 2.1/11513=94...(11) HB2 GLU 112 - QB ALA 113 far 0 84 0 - 4.5-5.4 HB2 GLU 111 - QB ALA 113 far 0 100 0 - 6.0-6.6 HG3 GLU 21 - QB ALA 113 far 0 97 0 - 6.1-8.7 HG2 GLU 21 - QB ALA 113 far 0 94 0 - 6.3-8.1 HB2 GLU 21 - QB ALA 113 far 0 61 0 - 7.3-7.9 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 4 assignments used, quality = 0.97: HG2 GLN 83 + QB ALA 113 OK 91 97 100 94 4.2-4.8 11020/11513=47...(7) HG3 GLU 112 + QB ALA 113 OK 47 94 50 100 4.6-6.3 3.0/10423=53...(16) HG2 GLU 112 + QB ALA 113 OK 38 96 40 100 4.6-6.2 3.0/10423=53...(15) HG3 GLU 13 - QB ALA 113 far 0 61 0 - 8.5-9.2 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 3.0/717=98...(10) Violated in 0 structures by 0.00 A. Peak 10428 from cnoeabs.peaks (3.98, 1.41, 18.60 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.91: HA LEU 14 + QB ALA 113 OK 91 96 100 95 3.9-4.6 2641/11517=56...(7) HA GLU 111 - QB ALA 113 far 0 90 0 - 4.7-5.0 HA LYS 17 - QB ALA 113 far 0 77 0 - 7.5-8.2 HA GLU 21 - QB ALA 113 far 0 81 0 - 9.0-9.7 Violated in 1 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 2.8-3.4 3.0/10439=78...(12) Violated in 0 structures by 0.00 A. Peak 10435 from cnoeabs.peaks (8.11, 0.81, 24.73 ppm; 5.89 A): 1 out of 4 assignments used, quality = 0.99: H ALA 113 + QD1 LEU 114 OK 99 99 100 100 5.1-5.6 715/1747=95, ~10420=80...(7) H VAL 117 - QD1 LEU 114 far 0 97 0 - 6.5-7.0 H PHE 93 - QD1 LEU 64 far 0 52 0 - 8.1-8.6 H SER 99 - QD1 LEU 64 far 0 43 0 - 9.5-10.2 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 4.2-4.4 4.7=100 H ILE 116 - QD1 LEU 114 far 0 65 0 - 6.1-6.8 H VAL 22 - QD1 LEU 114 far 0 77 0 - 6.7-7.3 H ARG 118 - QD1 LEU 114 far 0 99 0 - 6.7-7.4 H ASP 109 - QD1 LEU 114 far 0 81 0 - 8.4-8.9 H SER 72 - QD1 LEU 64 far 0 65 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10437 from cnoeabs.peaks (8.80, 0.81, 24.73 ppm; 5.87 A): 2 out of 4 assignments used, quality = 0.84: H ILE 18 + QD1 LEU 114 OK 65 65 100 100 4.2-5.0 ~11027=80, ~10439=78...(7) H SER 58 + QD1 LEU 64 OK 54 60 100 91 4.9-5.6 4.0/9599=76, 9589/9099=60 H ASN 59 - QD1 LEU 64 far 0 56 0 - 6.4-7.2 H LYS 106 - QD1 LEU 64 far 0 63 0 - 9.4-10.0 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 far 0 58 0 - 5.5-6.2 Violated in 20 structures by 1.76 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 2.3-2.9 11027=92, 3.8/11629=48...(13) Violated in 0 structures by 0.00 A. Peak 10440 from cnoeabs.peaks (3.97, 0.67, 23.24 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.84: HA LEU 14 + QD2 LEU 114 OK 76 90 100 85 2.6-3.3 10428/10420=39...(8) HA GLU 111 + QD2 LEU 114 OK 35 81 45 97 3.6-4.3 11192/2.1=53...(7) HA LYS 17 - QD2 LEU 114 far 0 65 0 - 4.3-4.6 HA GLU 21 - QD2 LEU 114 far 0 90 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 10441 from cnoeabs.peaks (4.00, 0.81, 24.73 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.95: HA GLU 111 + QD1 LEU 114 OK 95 96 100 99 2.0-3.0 11422=79, 11192/2.1=61...(9) HA LYS 17 - QD1 LEU 114 far 0 99 0 - 4.3-4.8 HA LEU 14 - QD1 LEU 114 far 0 90 0 - 4.3-5.0 HA GLU 112 - QD1 LEU 114 far 0 100 0 - 5.5-6.2 Violated in 0 structures by 0.00 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 2.6-3.4 10515=100, 2.1/8258=75...(10) QD1 LEU 14 + HA LEU 114 OK 30 94 35 90 4.0-4.7 10442/3.0=61...(4) QG2 VAL 107 - HA LEU 114 far 0 100 0 - 5.9-6.8 QG2 VAL 22 - HA LEU 114 far 0 81 0 - 6.6-7.4 QG2 THR 9 - HA LEU 114 far 0 99 0 - 7.0-7.6 HG13 ILE 57 - HA LEU 114 far 0 94 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 10446 from cnoeabs.peaks (1.96, 0.67, 23.24 ppm; 4.19 A increased from 3.53 A): 1 out of 1 assignment used, quality = 0.74: HB3 GLU 21 + QD2 LEU 114 OK 74 77 100 96 3.6-4.0 3.0/10447=71...(6) Violated in 0 structures by 0.00 A. Peak 10447 from cnoeabs.peaks (2.10, 0.67, 23.24 ppm; 3.63 A increased from 3.42 A): 1 out of 9 assignments used, quality = 0.88: HG3 GLU 21 + QD2 LEU 114 OK 88 100 90 98 2.5-5.1 11416=79, 3.0/10446=46...(9) HG2 GLU 21 - QD2 LEU 114 far 10 99 10 - 2.6-4.5 HB2 GLU 21 - QD2 LEU 114 far 0 81 0 - 4.4-4.9 HB2 GLU 111 - QD2 LEU 114 far 0 100 0 - 5.6-6.6 HG3 GLN 83 - QD2 LEU 114 far 0 77 0 - 6.2-6.9 HB3 GLU 112 - QD2 LEU 114 far 0 61 0 - 6.2-6.8 HB2 GLU 112 - QD2 LEU 114 far 0 65 0 - 6.6-7.5 HB VAL 107 - QD2 LEU 114 far 0 81 0 - 7.3-8.1 HB2 GLU 119 - QD2 LEU 114 far 0 77 0 - 9.3-10.1 Violated in 2 structures by 0.08 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 2.2-2.9 1.8/9104=86, 3.0/9099=43...(7) HB3 ASN 59 - QD1 LEU 64 far 0 58 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 10449 from cnoeabs.peaks (2.26, 0.81, 24.73 ppm; 3.71 A): 2 out of 5 assignments used, quality = 0.61: HB3 ASN 8 + QD1 LEU 64 OK 50 50 100 99 1.9-2.2 9104=82, 1.8/10448=67...(8) HG3 GLU 111 + QD1 LEU 114 OK 23 96 40 60 2.7-5.8 3.9/10441=46, 3.0/11124=26 HG2 GLU 69 - QD1 LEU 64 far 0 50 0 - 8.0-10.5 HG3 GLU 92 - QD1 LEU 64 far 0 63 0 - 8.9-12.4 HG2 GLU 103 - QD1 LEU 64 far 0 62 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 10450 from cnoeabs.peaks (2.09, 0.81, 24.73 ppm; 3.48 A): 2 out of 9 assignments used, quality = 0.75: HG3 GLU 21 + QD1 LEU 114 OK 65 90 90 81 2.6-5.1 10447/2.1=55, ~10446=24...(6) HG2 GLU 21 + QD1 LEU 114 OK 28 84 40 83 3.4-4.0 ~10447=41, ~11416=33...(7) HB2 GLU 111 - QD1 LEU 114 far 0 98 0 - 3.6-5.6 HB3 GLU 112 - QD1 LEU 114 far 0 92 0 - 6.7-7.3 HB2 GLU 112 - QD1 LEU 114 far 0 94 0 - 6.8-7.7 HB3 GLU 66 - QD1 LEU 64 far 0 65 0 - 7.6-7.9 HB3 PHE 79 - QD1 LEU 64 far 0 35 0 - 8.1-8.9 HG2 GLU 119 - QD1 LEU 114 far 0 70 0 - 9.1-9.9 HB2 GLU 103 - QD1 LEU 64 far 0 61 0 - 9.4-10.6 Violated in 1 structures by 0.00 A. Peak 10452 from cnoeabs.peaks (0.78, 3.80, 59.88 ppm; 4.58 A): 0 out of 4 assignments used, quality = 0.00: QD1 LEU 81 - HA LYS 115 far 0 94 0 - 7.5-7.7 QD1 ILE 7 - HA LYS 115 far 0 84 0 - 7.7-8.1 QG1 VAL 107 - HA LYS 115 far 0 70 0 - 8.1-8.4 QD2 LEU 14 - HA LYS 115 far 0 70 0 - 9.7-10.2 Violated in 20 structures by 1.93 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; 3.84 A increased from 3.62 A): 1 out of 11 assignments used, quality = 0.69: QD2 LEU 38 + HB2 LYS 39 OK 69 78 100 89 3.3-3.7 9380/3.0=49, 216/4.0=46...(5) QD2 LEU 70 - HB2 LYS 39 far 4 84 5 - 3.9-5.0 QD1 LEU 70 - HB2 LYS 39 far 0 80 0 - 4.0-4.7 QD1 LEU 70 - HB2 LYS 65 far 0 85 0 - 6.6-7.4 QD2 LEU 38 - HB2 LYS 65 far 0 83 0 - 6.7-7.0 QD1 LEU 70 - HB3 LYS 65 far 0 87 0 - 7.4-8.2 QD2 LEU 38 - HB3 LYS 65 far 0 85 0 - 7.7-8.0 QD2 LEU 70 - HB2 LYS 65 far 0 89 0 - 8.1-9.3 QG2 VAL 104 - HB3 LYS 65 far 0 71 0 - 8.1-9.0 QD2 LEU 70 - HB3 LYS 65 far 0 91 0 - 8.8-10.1 QG2 VAL 104 - HB2 LYS 65 far 0 69 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 10458 from cnoeabs.peaks (0.79, 1.93, 32.18 ppm; 3.84 A): 2 out of 15 assignments used, quality = 0.95: QD2 LEU 64 + HB3 LYS 65 OK 90 94 100 96 2.8-3.8 10805/2.9=65, 397/4.0=44...(7) QD2 LEU 64 + HB2 LYS 65 OK 47 92 55 92 3.8-4.0 10805/2.9=65, 397/4.0=44...(6) QD2 LEU 80 - HB3 LYS 65 far 0 85 0 - 6.3-6.9 QD1 LEU 81 - HB3 LYS 115 far 0 94 0 - 6.5-8.1 QD1 LEU 81 - HB2 LYS 115 far 0 99 0 - 6.6-8.2 QD1 LEU 80 - HB3 LYS 65 far 0 83 0 - 7.0-7.7 QD2 LEU 80 - HB2 LYS 65 far 0 83 0 - 7.1-7.8 QD1 LEU 82 - HB3 LYS 65 far 0 89 0 - 7.3-8.3 QD1 LEU 80 - HB2 LYS 65 far 0 80 0 - 7.5-8.2 QD1 LEU 82 - HB2 LYS 65 far 0 86 0 - 8.2-9.3 QD1 ILE 7 - HB2 LYS 115 far 0 65 0 - 8.6-9.6 QD1 ILE 7 - HB3 LYS 115 far 0 58 0 - 8.6-9.6 QD1 ILE 7 - HB3 LYS 123 far 0 29 0 - 9.3-11.1 QD1 ILE 7 - HB2 LYS 123 far 0 51 0 - 9.7-11.5 QD1 LEU 81 - HB3 LYS 123 far 0 53 0 - 9.9-11.7 Violated in 0 structures by 0.00 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 far 0 49 0 - 5.8-6.7 QD2 LEU 81 - HB3 LYS 115 far 0 94 0 - 5.9-7.4 QD2 LEU 81 - HB2 LYS 115 far 0 99 0 - 6.0-7.4 QD2 LEU 63 - HB2 LYS 39 far 0 82 0 - 6.6-7.2 QD2 LEU 63 - HB2 LYS 65 far 0 86 0 - 6.6-7.0 QD1 LEU 6 - HB3 LYS 65 far 0 74 0 - 6.7-7.4 QG2 ILE 97 - HB2 LYS 65 far 0 48 0 - 6.9-7.4 QD1 LEU 6 - HB2 LYS 65 far 0 72 0 - 7.1-7.6 QD2 LEU 63 - HB3 LYS 65 far 0 89 0 - 7.1-8.3 QG1 VAL 117 - HB2 LYS 115 far 0 61 0 - 7.5-8.1 QG1 VAL 117 - HB3 LYS 115 far 0 55 0 - 7.5-8.0 QG1 VAL 117 - HB3 LYS 123 far 0 27 0 - 7.6-9.5 QG1 VAL 117 - HB2 LYS 123 far 0 48 0 - 7.9-9.9 QG2 ILE 18 - HB2 LYS 115 far 0 73 0 - 8.3-9.1 QG2 ILE 18 - HB3 LYS 115 far 0 66 0 - 8.3-9.3 QG2 ILE 56 - HB2 LYS 39 far 0 80 0 - 9.3-10.0 QG2 ILE 56 - HB2 LYS 65 far 0 85 0 - 9.3-9.8 QD2 LEU 81 - HB3 LYS 123 far 0 53 0 - 9.4-11.1 QG2 ILE 56 - HB3 LYS 65 far 0 87 0 - 9.4-10.5 QD2 LEU 81 - HB2 LYS 123 far 0 86 0 - 9.7-11.1 QD1 LEU 55 - HB3 LYS 123 far 0 29 0 - 9.8-11.7 Violated in 15 structures by 0.03 A. Peak 10460 from cnoeabs.peaks (4.01, 1.30, 24.91 ppm; 5.45 A increased from 5.13 A): 1 out of 3 assignments used, quality = 0.92: HA GLU 112 + HG3 LYS 115 OK 92 92 100 100 2.7-5.2 10461/2.9=89...(9) HA GLU 111 - HG3 LYS 115 poor 18 61 30 - 5.3-8.8 HA PHE 120 - HG3 LYS 115 far 0 77 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 10461 from cnoeabs.peaks (4.01, 1.66, 29.55 ppm; 4.07 A increased from 3.43 A): 1 out of 7 assignments used, quality = 0.69: HA GLU 112 + HD2 LYS 115 OK 69 75 100 92 3.1-3.9 11463=64, 10460/2.9=37...(9) HA GLU 112 - HD3 LYS 115 far 0 77 0 - 4.3-5.5 HA GLU 66 - HD2 LYS 65 far 0 74 0 - 5.8-7.7 HA GLU 66 - HD3 LYS 65 far 0 66 0 - 6.0-7.8 HA GLU 119 - HD3 LYS 115 far 0 77 0 - 7.4-9.0 HA GLU 119 - HD2 LYS 115 far 0 75 0 - 8.4-10.5 HB3 SER 99 - HD2 LYS 65 far 0 67 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 10462 from cnoeabs.peaks (3.99, 1.56, 24.91 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.98: HA GLU 112 + HG2 LYS 115 OK 98 100 100 98 1.9-4.2 11463/2.9=69...(9) HA GLU 111 - HG2 LYS 115 far 0 98 0 - 4.7-8.3 HB2 SER 99 - HG3 LYS 96 far 0 86 0 - 5.5-9.1 HB3 SER 99 - HG3 LYS 96 far 0 86 0 - 5.6-9.3 HA LEU 14 - HG2 LYS 115 far 0 94 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 10463 from cnoeabs.peaks (7.10, 1.56, 24.91 ppm; 5.77 A increased from 5.13 A): 1 out of 2 assignments used, quality = 0.38: HZ PHE 93 + HG2 LYS 65 OK 38 38 100 100 2.0-5.5 ~4676=79, ~4672=66...(8) HZ PHE 93 - HG3 LYS 96 far 0 47 0 - 6.8-8.7 Violated in 0 structures by 0.00 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 3.9-4.5 10554=96, 2221/10503=77...(12) 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 1 assignment used, quality = 0.65: QE PHE 120 + QG2 ILE 116 OK 65 65 100 100 1.9-2.2 2.2/4717=81, 2.2/4710=65...(17) 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 2.2-2.9 4717=98, 2.2/4734=89...(13) 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 2 assignments used, quality = 1.00: QD PHE 120 + QG2 ILE 116 OK 100 100 100 100 3.2-3.7 2.2/4734=98, 4706/2.1=80...(11) QD TYR 27 - QG2 ILE 116 far 0 100 0 - 9.6-10.4 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 5.3-5.9 8252/3.0=88...(9) HA LYS 115 + HA ILE 116 OK 94 94 100 100 4.7-4.9 8266/2216=76, ~1958=74...(12) 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 4.1-4.7 8252/2.1=100...(16) HA LYS 115 + QG2 ILE 116 OK 99 100 100 99 6.1-6.1 3.6/1762=95...(7) Violated in 0 structures by 0.00 A. Peak 10473 from cnoeabs.peaks (5.26, 0.04, 18.11 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.84: HA LEU 81 + QG2 ILE 116 OK 84 84 100 100 3.7-4.2 3.9/10491=96...(11) HA GLN 83 - QG2 ILE 116 far 0 99 0 - 6.6-7.4 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 3.6-3.9 3.0/738=99, 10503=88...(18) Violated in 0 structures by 0.00 A. Peak 10475 from cnoeabs.peaks (3.79, 0.68, 13.41 ppm; 4.92 A increased from 4.14 A): 1 out of 2 assignments used, quality = 0.98: HA ALA 113 + QD1 ILE 116 OK 98 98 100 100 3.9-5.0 8252/3.2=72...(13) HA LYS 115 - QD1 ILE 116 far 15 98 15 - 4.6-5.6 Violated in 1 structures by 0.00 A. Peak 10476 from cnoeabs.peaks (3.99, 0.68, 13.41 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.98: HA GLU 112 + QD1 ILE 116 OK 98 98 100 100 3.8-4.8 8249/1765=81...(11) HA GLU 111 - QD1 ILE 116 far 0 100 0 - 7.6-8.4 HA LEU 14 - QD1 ILE 116 far 0 98 0 - 10.0-10.9 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 4.5-5.0 3.0/10498=98...(10) 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 3.1-5.1 3.0/8269=99, 10548=98...(8) Violated in 0 structures by 0.00 A. Peak 10482 from cnoeabs.peaks (0.77, 3.46, 64.12 ppm; 5.58 A): 1 out of 4 assignments used, quality = 0.69: QD1 LEU 81 + HA ILE 116 OK 69 70 100 100 4.6-4.9 10491/3.2=86, ~11636=73...(13) QG1 VAL 107 - HA ILE 116 far 0 94 0 - 6.1-6.6 QD1 ILE 7 - HA ILE 116 far 0 99 0 - 6.8-7.3 QD1 LEU 80 - HA ILE 116 far 0 100 0 - 9.8-10.5 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 2.5-2.7 11637=99, 9958/2.1=97...(14) QD1 ILE 7 - HB ILE 116 far 0 65 0 - 5.1-5.6 QD1 LEU 80 - HB ILE 116 far 0 92 0 - 8.2-8.7 QD1 LEU 82 - HB ILE 116 far 0 97 0 - 9.3-9.8 QD2 LEU 80 - HB ILE 116 far 0 94 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 10485 from cnoeabs.peaks (0.86, 1.63, 36.32 ppm; 5.90 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 117 + HB ILE 116 OK 98 98 100 100 3.0-3.3 6841/737=97...(12) QG2 VAL 107 + HB ILE 116 OK 94 94 100 100 4.0-5.1 11417/3.2=86...(13) QG2 ILE 5 - HB ILE 116 far 3 65 5 - 6.0-6.5 QD1 LEU 14 - HB ILE 116 far 0 100 0 - 6.1-6.8 QG2 THR 9 - HB ILE 116 far 0 99 0 - 7.7-8.3 QG2 VAL 22 - HB ILE 116 far 0 99 0 - 9.4-10.4 QG2 ILE 57 - HB ILE 116 far 0 61 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10486 from cnoeabs.peaks (1.42, 1.63, 36.32 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.90: QB ALA 113 + HB ILE 116 OK 90 90 100 100 4.1-4.7 2.1/8252=100...(17) HB3 GLN 83 - HB ILE 116 far 0 100 0 - 6.7-7.2 HG3 LYS 106 - HB ILE 116 far 0 61 0 - 9.5-10.3 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 4 assignments used, quality = 0.96: HB2 LEU 81 + HB ILE 116 OK 94 94 100 100 5.0-5.4 3.1/11637=100...(13) HB2 LYS 115 + HB ILE 116 OK 39 65 60 100 5.0-6.6 4.4/1761=95, ~11193=57...(9) HB ILE 7 - HB ILE 116 far 0 65 0 - 7.7-8.2 HG2 MET 121 - HB ILE 116 far 0 97 0 - 9.7-11.0 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 3.9-4.3 2.1/10491=97...(15) HB3 LEU 81 + QG2 ILE 116 OK 84 84 100 100 2.6-3.1 3.1/9958=88, 3.1/9959=78...(14) 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 6 assignments used, quality = 1.00: HG2 ARG 105 + QG2 ILE 116 OK 99 99 100 100 1.9-3.1 10273=63, 1.8/10274=57...(15) HB3 ARG 105 + QG2 ILE 116 OK 97 98 100 99 2.3-2.8 3.0/10273=48...(15) HG12 ILE 5 - QG2 ILE 116 far 0 100 0 - 7.2-8.0 HB2 ARG 118 - QG2 ILE 116 far 0 90 0 - 7.3-8.1 HB2 LEU 14 - QG2 ILE 116 far 0 84 0 - 8.5-9.2 HB ILE 18 - QG2 ILE 116 far 0 90 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (2.09, 0.04, 18.11 ppm; 4.78 A): 1 out of 9 assignments used, quality = 0.59: HG2 GLU 119 + QG2 ILE 116 OK 59 70 85 100 3.4-5.1 10480/1762=48, ~8271=39...(15) HB2 GLU 112 - QG2 ILE 116 far 0 94 0 - 5.1-7.6 HB3 PHE 79 - QG2 ILE 116 far 0 65 0 - 5.6-6.1 HB3 GLU 112 - QG2 ILE 116 far 0 92 0 - 5.7-6.8 HB2 GLU 103 - QG2 ILE 116 far 0 98 0 - 6.4-7.5 HB3 MET 121 - QG2 ILE 116 far 0 73 0 - 7.4-8.2 HG3 GLU 21 - QG2 ILE 116 far 0 90 0 - 9.0-10.7 HG2 GLU 21 - QG2 ILE 116 far 0 84 0 - 9.7-11.1 HB2 GLU 111 - QG2 ILE 116 far 0 98 0 - 9.7-10.9 Violated in 3 structures by 0.04 A. Peak 10491 from cnoeabs.peaks (0.78, 0.04, 18.11 ppm; 3.55 A): 1 out of 9 assignments used, quality = 0.94: QD1 LEU 81 + QG2 ILE 116 OK 94 94 100 100 1.8-2.2 9958=88, 11637/2.1=79...(19) QG1 VAL 107 - QG2 ILE 116 far 0 70 0 - 3.7-4.5 QD1 ILE 7 - QG2 ILE 116 far 0 84 0 - 4.8-5.2 QD1 LEU 80 - QG2 ILE 116 far 0 99 0 - 6.2-6.7 QD1 LEU 82 - QG2 ILE 116 far 0 100 0 - 7.1-7.6 QD2 LEU 80 - QG2 ILE 116 far 0 99 0 - 7.4-7.7 QD2 LEU 14 - QG2 ILE 116 far 0 70 0 - 8.3-8.8 QD1 ILE 15 - QG2 ILE 116 far 0 73 0 - 9.5-11.4 QD2 LEU 64 - QG2 ILE 116 far 0 100 0 - 9.7-10.2 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 8 assignments used, quality = 1.00: QG2 VAL 117 + QG2 ILE 116 OK 100 100 100 100 3.4-3.8 10521/2.1=93...(12) QG2 VAL 107 + QG2 ILE 116 OK 95 100 95 100 4.3-5.0 11417/3.0=80...(12) QD1 LEU 14 - QG2 ILE 116 far 0 94 0 - 6.6-7.3 QD2 LEU 90 - QG2 ILE 116 far 0 81 0 - 6.6-7.3 QG2 VAL 104 - QG2 ILE 116 far 0 73 0 - 6.7-7.1 QG2 THR 9 - QG2 ILE 116 far 0 99 0 - 7.4-7.9 QG2 VAL 22 - QG2 ILE 116 far 0 81 0 - 8.8-9.5 HG13 ILE 57 - QG2 ILE 116 far 0 94 0 - 9.7-10.3 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 2.2-3.9 11637/6812=96...(13) QD1 ILE 7 - HG12 ILE 116 far 0 65 0 - 6.9-7.6 QD1 LEU 80 - HG12 ILE 116 far 0 92 0 - 8.5-10.3 QD1 LEU 82 - HG12 ILE 116 far 0 97 0 - 8.8-10.7 QD2 LEU 80 - HG12 ILE 116 far 0 94 0 - 9.9-11.7 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 = 0.79: HG3 GLU 112 + QD1 ILE 116 OK 57 70 95 86 2.6-4.6 1.8/11339=38, 11339=31...(8) HG2 GLU 112 + QD1 ILE 116 OK 51 65 90 86 2.3-5.3 1.8/11339=40...(8) HB3 PHE 120 - QD1 ILE 116 far 0 87 0 - 7.7-8.3 HG2 GLN 83 - QD1 ILE 116 far 0 61 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 10498 from cnoeabs.peaks (2.10, 0.68, 13.41 ppm; 4.05 A increased from 3.81 A): 1 out of 8 assignments used, quality = 0.60: HB VAL 107 + QD1 ILE 116 OK 60 61 100 97 3.4-3.8 2.1/11417=69...(11) HB2 GLU 112 - QD1 ILE 116 far 13 84 15 - 2.8-5.5 HB3 GLU 112 - QD1 ILE 116 far 4 81 5 - 3.6-5.1 HB3 GLU 119 - QD1 ILE 116 far 0 70 0 - 5.3-5.7 HB2 GLU 111 - QD1 ILE 116 far 0 100 0 - 7.4-9.5 HB2 GLU 103 - QD1 ILE 116 far 0 92 0 - 8.5-9.6 HG3 GLU 21 - QD1 ILE 116 far 0 97 0 - 8.9-10.9 HB2 GLU 21 - QD1 ILE 116 far 0 61 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 10499 from cnoeabs.peaks (1.92, 0.68, 13.41 ppm; 4.55 A increased from 4.28 A): 2 out of 5 assignments used, quality = 0.85: HB3 LYS 115 + QD1 ILE 116 OK 68 77 95 93 3.4-5.1 4.4/1765=57, ~11193=35...(10) HB2 LYS 115 + QD1 ILE 116 OK 53 94 60 94 2.4-5.5 4.4/1765=57, ~11193=35...(10) HB2 LEU 81 - QD1 ILE 116 far 0 100 0 - 6.8-7.2 HB3 LYS 123 - QD1 ILE 116 far 0 99 0 - 9.1-10.6 HB2 LYS 123 - QD1 ILE 116 far 0 77 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 10500 from cnoeabs.peaks (1.81, 0.68, 13.41 ppm; 4.05 A increased from 3.60 A): 1 out of 6 assignments used, quality = 0.98: HG2 ARG 105 + QD1 ILE 116 OK 98 99 100 99 2.1-4.0 10273/3.0=50...(12) HB3 ARG 105 - QD1 ILE 116 poor 20 98 20 - 4.0-4.7 HB2 ARG 118 - QD1 ILE 116 far 0 90 0 - 7.2-8.1 HB2 LEU 14 - QD1 ILE 116 far 0 84 0 - 9.2-10.2 HG12 ILE 5 - QD1 ILE 116 far 0 100 0 - 9.8-10.4 HB ILE 18 - QD1 ILE 116 far 0 90 0 - 9.9-11.0 Violated in 0 structures by 0.00 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 2.6-4.6 3.0/10500=98...(11) Violated in 0 structures by 0.00 A. Peak 10502 from cnoeabs.peaks (0.62, 3.26, 67.50 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 5 + HA VAL 117 OK 99 100 100 99 4.3-5.0 4709/4720=77...(9) QG1 VAL 22 - HA VAL 117 poor 13 70 40 48 4.8-5.4 11117/3.2=27, ~11119=19 QD1 ILE 18 - HA VAL 117 far 0 96 0 - 5.2-5.8 QG1 VAL 78 - HA VAL 117 far 0 98 0 - 8.4-8.8 Violated in 1 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 3.6-3.9 738/3.0=83, ~737=60...(18) 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 3 assignments used, quality = 0.99: HB ILE 116 + HA VAL 117 OK 99 99 100 100 4.1-4.4 737/3.0=99, 2.1/10503=98...(14) HB ILE 5 + HA VAL 117 OK 40 90 45 98 6.0-6.6 10511/3.2=91...(3) HG LEU 114 - HA VAL 117 far 0 73 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 10506 from cnoeabs.peaks (0.61, 2.05, 30.75 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 18 + HB VAL 117 OK 100 100 100 100 3.7-4.5 10524/2.1=98, ~10520=50...(6) QD1 ILE 5 - HB VAL 117 far 0 94 0 - 6.3-6.9 QD1 ILE 5 - HB2 GLN 28 far 0 22 0 - 8.7-10.5 QG1 VAL 78 - HB2 GLN 28 far 0 26 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10507 from cnoeabs.peaks (1.40, 2.05, 30.75 ppm; 5.38 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 114 + HB VAL 117 OK 100 100 100 100 4.8-5.3 3.0/8258=92, ~10515=65...(5) QB ALA 113 - HB VAL 117 far 4 77 5 - 5.4-5.9 HG LEU 14 - HB VAL 117 far 0 70 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 10509 from cnoeabs.peaks (2.62, 0.72, 21.31 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.93: HG3 MET 121 + QG1 VAL 117 OK 93 94 100 99 2.1-4.7 10591=83, 1.8/10593=73...(6) HE2 LYS 53 - QG1 VAL 117 far 0 87 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 10510 from cnoeabs.peaks (1.82, 0.72, 21.31 ppm; 3.31 A): 2 out of 10 assignments used, quality = 0.84: QE MET 121 + QG1 VAL 117 OK 76 87 100 88 1.9-3.1 10601=55, 3.4/10509=28...(7) HG12 ILE 5 + QG1 VAL 117 OK 31 90 75 47 3.1-3.9 2.9/10511=30, ~10502=15 HB ILE 18 - QG1 VAL 117 far 0 100 0 - 4.8-5.7 HB2 ARG 118 - QG1 VAL 117 far 0 61 0 - 5.1-5.7 HB2 LEU 14 - QG1 VAL 117 far 0 99 0 - 7.3-8.1 HB3 ARG 105 - QG1 VAL 117 far 0 100 0 - 7.8-8.4 HB3 LYS 19 - QG1 VAL 117 far 0 73 0 - 7.8-8.6 HG2 ARG 105 - QG1 VAL 117 far 0 84 0 - 8.0-8.8 HB ILE 57 - QG1 VAL 117 far 0 99 0 - 8.5-9.1 HB ILE 3 - QG1 VAL 117 far 0 87 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 10511 from cnoeabs.peaks (1.64, 0.72, 21.31 ppm; 4.77 A): 1 out of 4 assignments used, quality = 0.48: HB ILE 5 + QG1 VAL 117 OK 48 90 100 53 4.0-4.4 ~10502=28, 2.9/10510=26 HB ILE 116 - QG1 VAL 117 far 0 99 0 - 5.3-5.5 HG LEU 114 - QG1 VAL 117 far 0 73 0 - 7.2-7.7 HD3 LYS 77 - QG1 VAL 117 far 0 87 0 - 9.4-12.8 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 = 0.92: HA ILE 18 + QG2 VAL 117 OK 92 97 100 95 4.3-4.7 2906/10524=74...(5) Violated in 1 structures by 0.00 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 2.6-3.4 8258/2.1=66, 10445=61...(10) Violated in 0 structures by 0.00 A. Peak 10516 from cnoeabs.peaks (3.81, 0.86, 23.99 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.72: HA ALA 113 + QG2 VAL 117 OK 72 77 100 93 3.7-4.2 2.1/10522=88...(3) HA LYS 115 - QG2 VAL 117 far 0 77 0 - 5.2-5.7 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 = 0.72: HA ILE 18 + QG1 VAL 117 OK 72 98 100 74 4.5-5.2 10514/2.1=60...(3) Violated in 1 structures by 0.00 A. Peak 10518 from cnoeabs.peaks (3.70, 0.72, 21.31 ppm; 4.71 A increased from 4.43 A): 1 out of 1 assignment used, quality = 0.89: HA LEU 114 + QG1 VAL 117 OK 89 90 100 99 4.4-4.7 10515/2.1=81...(5) Violated in 3 structures by 0.00 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 3.4-3.8 10541=88, 2.9/746=81...(10) Violated in 0 structures by 0.00 A. Peak 10520 from cnoeabs.peaks (1.78, 0.86, 23.99 ppm; 4.68 A increased from 3.94 A): 1 out of 3 assignments used, quality = 0.80: HG12 ILE 18 + QG2 VAL 117 OK 80 81 100 100 3.9-4.4 2.1/10524=98...(5) HB2 LEU 55 - QG2 VAL 117 far 0 65 0 - 7.1-7.8 HB2 LYS 19 - QG2 VAL 117 far 0 94 0 - 8.7-9.3 Violated in 0 structures by 0.00 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...(12) HB2 LEU 82 - QG2 VAL 117 far 0 100 0 - 8.8-9.2 HG2 LYS 16 - QG2 VAL 117 far 0 94 0 - 9.7-11.3 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 6 assignments used, quality = 0.82: QB ALA 113 + QG2 VAL 117 OK 82 90 100 91 3.6-3.9 2.1/10516=54...(7) HB3 GLN 83 - QG2 VAL 117 far 0 100 0 - 6.3-6.7 HG3 LYS 17 - QG2 VAL 117 far 0 96 0 - 8.9-9.5 HG12 ILE 56 - QG2 VAL 117 far 0 98 0 - 9.5-10.2 HB3 LEU 4 - QG2 VAL 117 far 0 73 0 - 9.5-10.1 HB2 LEU 4 - QG2 VAL 117 far 0 73 0 - 9.7-10.2 Violated in 2 structures by 0.00 A. Peak 10523 from cnoeabs.peaks (1.93, 0.86, 23.99 ppm; 4.51 A): 1 out of 8 assignments used, quality = 0.87: HB2 LEU 81 + QG2 VAL 117 OK 87 96 100 91 3.8-4.1 3.0/11639=62...(7) HG2 MET 121 - QG2 VAL 117 far 0 92 0 - 5.6-7.1 HB3 LYS 115 - QG2 VAL 117 far 0 97 0 - 5.9-7.0 HB2 LYS 115 - QG2 VAL 117 far 0 100 0 - 6.0-6.8 HB3 LYS 17 - QG2 VAL 117 far 0 99 0 - 6.6-7.4 HB3 LYS 123 - QG2 VAL 117 far 0 84 0 - 9.0-10.8 HB ILE 15 - QG2 VAL 117 far 0 87 0 - 9.0-9.6 HB2 LYS 123 - QG2 VAL 117 far 0 97 0 - 9.3-11.0 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 = 0.90: QD1 ILE 18 + QG2 VAL 117 OK 90 100 100 91 1.9-2.5 11581/11584=47...(8) QD1 ILE 5 - QG2 VAL 117 far 0 94 0 - 4.8-5.2 QG1 VAL 78 - QG2 VAL 117 far 0 100 0 - 7.3-7.9 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 3.4-3.8 2.1/10521=100...(11) 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 4.9-5.2 ~10521=90, 4.3/6846=89...(8) 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 2.0-2.8 4720=100, 2.4/8276=87...(13) QD TYR 27 - HA VAL 117 far 0 100 0 - 7.5-8.6 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 3.2-4.2 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 3.3-3.9 4708/2.1=98, 4720/3.2=92...(13) QD TYR 27 - QG2 VAL 117 far 0 100 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (6.78, 0.72, 21.31 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 120 + QG1 VAL 117 OK 99 99 100 100 3.2-4.0 4708=91, 4720/3.2=83...(11) QD TYR 27 - QG1 VAL 117 far 5 100 5 - 4.7-5.7 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 0 99 0 - 7.0-9.8 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (6.82, 3.15, 43.76 ppm; 4.53 A): 0 out of 1 assignment used, quality = 0.00: HE22 GLN 122 - HD2 ARG 118 far 0 87 0 - 6.7-13.0 Violated in 20 structures by 5.00 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 0 81 0 - 6.7-11.6 Violated in 0 structures by 0.00 A. Peak 10537 from cnoeabs.peaks (6.83, 2.97, 43.76 ppm; 4.73 A): 0 out of 1 assignment used, quality = 0.00: HE22 GLN 122 - HD3 ARG 118 far 0 100 0 - 6.6-12.1 Violated in 20 structures by 4.54 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 2.0-4.5 8264/3.7=68...(10) HA ALA 113 - HD2 ARG 118 far 0 94 0 - 8.2-10.8 Violated in 2 structures by 0.00 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 98 2.1-4.2 8264/3.7=69...(7) HA ALA 113 - HD3 ARG 118 far 0 99 0 - 8.4-10.5 Violated in 0 structures by 0.00 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 3.4-3.8 10519=99, 746/2.9=85...(10) QG2 ILE 18 - HA ARG 118 far 0 98 0 - 5.9-7.1 QD2 LEU 81 - HA ARG 118 far 0 65 0 - 7.1-7.3 HG13 ILE 18 - HA ARG 118 far 0 99 0 - 7.4-8.3 QD2 LEU 55 - HA ARG 118 far 0 87 0 - 8.4-9.3 QD1 ILE 57 - HA ARG 118 far 0 70 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 10542 from cnoeabs.peaks (0.86, 3.89, 60.17 ppm; 5.60 A increased from 4.48 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 117 + HA ARG 118 OK 100 100 100 100 5.3-5.4 745/2.9=95, 2.1/10519=94...(8) QG2 VAL 22 - HA ARG 118 far 0 94 0 - 6.8-7.9 HG13 ILE 5 - HA ARG 118 far 0 70 0 - 8.4-9.1 QD1 LEU 14 - HA ARG 118 far 0 99 0 - 9.4-10.2 QG2 VAL 107 - HA ARG 118 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 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 3.1-5.1 10481=98, 8269/3.0=98...(8) 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 = 0.80: HA ILE 116 + HG2 GLU 119 OK 80 81 100 100 2.6-3.6 8271/6928=69...(8) Violated in 0 structures by 0.00 A. Peak 10555 from cnoeabs.peaks (2.08, 4.02, 56.87 ppm; 5.71 A increased from 5.38 A): 2 out of 4 assignments used, quality = 0.99: HB3 PHE 79 + HA PHE 120 OK 92 99 95 98 5.0-5.9 4702/4558=81, ~4640=65...(5) HB3 MET 121 + HA PHE 120 OK 90 100 100 91 5.6-5.7 1796/3.6=90, 10572/4558=8 HG2 GLU 119 - HA PHE 120 far 5 99 5 - 4.2-6.6 HB2 GLU 103 - HA PHE 120 far 0 97 0 - 6.1-8.1 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 - 7.2-9.3 Violated in 20 structures by 3.67 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 4.0-4.6 4709/4558=97...(13) QG1 VAL 22 - HA PHE 120 far 0 92 0 - 8.1-8.8 QG1 VAL 78 - HA PHE 120 far 0 84 0 - 8.2-8.7 QD1 ILE 18 - HA PHE 120 far 0 77 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (0.84, 3.22, 36.75 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.99: QG2 ILE 5 + HB2 PHE 120 OK 99 99 100 100 3.3-3.9 4707/2.4=97...(16) HG13 ILE 5 - HB2 PHE 120 far 5 94 5 - 4.9-5.8 QG2 VAL 22 - HB2 PHE 120 far 0 70 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 10563 from cnoeabs.peaks (0.64, 3.22, 36.75 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.69: QD1 ILE 5 + HB2 PHE 120 OK 69 70 100 100 2.4-3.1 3.0/10562=69...(15) QG1 VAL 22 - HB2 PHE 120 far 0 100 0 - 5.8-6.5 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (0.85, 2.34, 36.75 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 5 + HB3 PHE 120 OK 99 99 100 100 3.6-4.2 4707/2.4=88...(16) HG13 ILE 5 - HB3 PHE 120 far 0 100 0 - 4.9-5.6 QG2 VAL 117 - HB3 PHE 120 far 0 61 0 - 5.7-6.2 QG2 VAL 22 - HB3 PHE 120 far 0 96 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 10565 from cnoeabs.peaks (0.72, 2.34, 36.75 ppm; 6.20 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 117 + HB3 PHE 120 OK 100 100 100 100 4.6-5.1 4708/2.4=99, ~8276=88...(8) QD2 LEU 81 - HB3 PHE 120 poor 20 65 30 - 6.2-6.6 QG2 VAL 78 - HB3 PHE 120 far 0 100 0 - 7.2-7.9 QD2 LEU 55 - HB3 PHE 120 far 0 87 0 - 7.9-8.8 QG2 ILE 18 - HB3 PHE 120 far 0 98 0 - 8.1-8.7 QD1 LEU 6 - HB3 PHE 120 far 0 94 0 - 8.8-9.7 QD2 LEU 6 - HB3 PHE 120 far 0 90 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 10566 from cnoeabs.peaks (0.63, 2.34, 36.75 ppm; 4.80 A): 1 out of 5 assignments used, quality = 0.99: QD1 ILE 5 + HB3 PHE 120 OK 99 99 100 100 2.2-2.7 11352=99, 4709/2.4=89...(18) QG1 VAL 78 - HB3 PHE 120 far 0 84 0 - 6.3-6.9 QG1 VAL 22 - HB3 PHE 120 far 0 92 0 - 6.9-7.7 QD1 ILE 18 - HB3 PHE 120 far 0 77 0 - 8.8-9.2 QD1 LEU 4 - HB3 PHE 120 far 0 81 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 10568 from cnoeabs.peaks (0.83, 6.79, 129.60 ppm; 4.12 A): 1 out of 6 assignments used, quality = 0.95: QG2 ILE 5 + QD PHE 120 OK 95 95 100 100 2.7-3.2 9049=77, 3.0/4709=66...(17) HG13 ILE 5 - QD PHE 120 far 0 83 0 - 5.7-6.3 QD1 LEU 64 - QD PHE 120 far 0 60 0 - 8.8-9.3 QD2 LEU 82 - QD PHE 120 far 0 95 0 - 9.2-9.8 QG2 ILE 57 - QD PHE 120 far 0 96 0 - 9.3-10.0 QG2 ILE 71 - QD PHE 120 far 0 72 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 10569 from cnoeabs.peaks (0.73, 6.79, 129.60 ppm; 5.43 A): 1 out of 8 assignments used, quality = 0.86: QG1 VAL 117 + QD PHE 120 OK 86 86 100 100 3.2-4.0 3.2/4720=93, 10531=81...(11) QG2 ILE 7 - QD PHE 120 far 0 89 0 - 5.7-6.2 QG2 ILE 18 - QD PHE 120 far 0 76 0 - 6.0-6.8 QD2 LEU 55 - QD PHE 120 far 0 99 0 - 6.7-7.5 QD1 LEU 6 - QD PHE 120 far 0 64 0 - 7.3-8.0 QG2 VAL 78 - QD PHE 120 far 0 95 0 - 7.7-8.1 HG13 ILE 18 - QD PHE 120 far 0 99 0 - 8.0-8.6 QD2 LEU 6 - QD PHE 120 far 0 100 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 10570 from cnoeabs.peaks (0.62, 6.79, 129.60 ppm; 5.13 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 5 + QD PHE 120 OK 98 98 100 100 3.1-3.7 3.0/4707=95...(16) QG1 VAL 22 - QD PHE 120 far 0 60 0 - 5.8-6.6 QD1 ILE 18 - QD PHE 120 far 0 97 0 - 6.3-6.8 QG1 VAL 78 - QD PHE 120 far 0 99 0 - 6.3-6.6 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 3.2-3.7 4734/2.2=100, 10467=99...(11) 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 96 97 100 99 4.7-6.1 1.8/10213=91, ~10207=65 HB3 PHE 79 + QD PHE 120 OK 64 64 100 99 3.2-3.8 ~4723=84, ~4640=80...(6) HG2 GLU 119 + QD PHE 120 OK 54 68 90 87 3.8-6.3 10490/10467=67, 759/1792=60 HB3 MET 121 + QD PHE 120 OK 50 72 95 73 5.9-6.3 1796/4.6=63, 10555/4558=27 HB2 GLU 112 - QD PHE 120 far 0 93 0 - 9.4-12.0 HG3 GLU 21 - QD PHE 120 far 0 89 0 - 9.4-11.2 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 2.8-5.5 9056/10592=76...(7) 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 = 0.84: QE TYR 27 + HB3 MET 121 OK 84 87 100 96 4.3-5.6 4590/3.0=83...(3) Violated in 0 structures by 0.00 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 2.7-4.1 10582/3.4=85, 10837=77...(9) Violated in 0 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (7.56, 1.83, 16.54 ppm; 4.82 A increased from 4.28 A): 1 out of 1 assignment used, quality = 0.97: * HE21 GLN 25 + QE MET 121 OK 97 97 100 100 3.6-4.6 11011=88, 1.7/10580=86...(6) Violated in 0 structures by 0.00 A. Peak 10580 from cnoeabs.peaks (6.87, 1.83, 16.54 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.99: * HE22 GLN 25 + QE MET 121 OK 99 99 100 100 3.1-4.5 11012=89, 1.7/10579=71...(5) Violated in 0 structures by 0.00 A. Peak 10581 from cnoeabs.peaks (6.78, 1.83, 16.54 ppm; 5.16 A increased from 4.86 A): 1 out of 2 assignments used, quality = 0.87: QD TYR 27 + QE MET 121 OK 87 87 100 100 4.0-5.1 2.2/10582=77...(13) QD PHE 120 - QE MET 121 far 0 81 0 - 5.3-6.6 Violated in 0 structures by 0.00 A. Peak 10582 from cnoeabs.peaks (6.60, 1.83, 16.54 ppm; 5.11 A increased from 4.81 A): 1 out of 1 assignment used, quality = 0.74: QE TYR 27 + QE MET 121 OK 74 77 100 97 3.5-5.1 2.2/10581=75...(6) Violated in 1 structures by 0.00 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 - 9.2-10.4 HA GLU 112 - QE MET 121 far 0 81 0 - 9.5-10.5 HA GLU 111 - QE MET 121 far 0 99 0 - 9.8-11.1 HA LEU 14 - QE MET 121 far 0 100 0 - 9.9-11.4 Violated in 20 structures by 2.82 A. Peak 10586 from cnoeabs.peaks (4.12, 1.83, 16.54 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.78: HA VAL 22 + QE MET 121 OK 78 81 100 97 2.0-3.2 3.2/10602=64, 10861=56...(11) HA GLN 122 - QE MET 121 far 0 70 0 - 5.0-6.6 HA3 GLY 26 - QE MET 121 far 0 96 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10591 from cnoeabs.peaks (0.72, 2.63, 31.22 ppm; 4.90 A): 1 out of 8 assignments used, quality = 0.99: QG1 VAL 117 + HG3 MET 121 OK 99 100 100 100 2.1-4.7 10509=91, 10593/1.8=75...(6) QG2 ILE 18 - HG3 MET 121 far 0 98 0 - 5.7-7.7 QD2 LEU 55 - HG3 MET 121 far 0 87 0 - 6.0-8.1 QD2 LEU 81 - HG3 MET 121 far 0 65 0 - 6.5-9.0 HG13 ILE 18 - HG3 MET 121 far 0 99 0 - 7.8-10.7 QD1 ILE 57 - HG3 MET 121 far 0 70 0 - 8.4-10.3 QG2 VAL 78 - HG3 MET 121 far 0 100 0 - 8.7-10.0 QD2 LEU 6 - HG3 MET 121 far 0 90 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 10592 from cnoeabs.peaks (0.61, 2.63, 31.22 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.90: QD1 ILE 5 + HG3 MET 121 OK 90 94 100 96 2.9-4.4 11353=58, 10590/1798=51...(6) QD1 ILE 18 - HG3 MET 121 far 0 100 0 - 7.2-9.7 QG1 VAL 78 - HG3 MET 121 far 0 100 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 10593 from cnoeabs.peaks (0.72, 1.92, 31.22 ppm; 5.01 A): 1 out of 7 assignments used, quality = 0.97: QG1 VAL 117 + HG2 MET 121 OK 97 100 100 97 3.2-4.6 10509/1.8=86...(5) QG2 ILE 18 - HG2 MET 121 far 0 100 0 - 6.2-7.4 QD2 LEU 55 - HG2 MET 121 far 0 70 0 - 6.3-8.3 QD2 LEU 81 - HG2 MET 121 far 0 84 0 - 7.5-9.2 QG2 VAL 78 - HG2 MET 121 far 0 98 0 - 8.6-11.0 QD1 ILE 57 - HG2 MET 121 far 0 87 0 - 8.7-10.2 HG13 ILE 18 - HG2 MET 121 far 0 92 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 10594 from cnoeabs.peaks (0.62, 1.92, 31.22 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.92: QD1 ILE 5 + HG2 MET 121 OK 86 100 90 96 3.5-5.6 10592/1.8=70...(5) QG1 VAL 22 + HG2 MET 121 OK 39 77 60 85 3.9-5.0 10865/3.4=48, ~10586=28...(7) QD1 ILE 18 - HG2 MET 121 far 0 92 0 - 8.1-9.4 QG1 VAL 78 - HG2 MET 121 far 0 96 0 - 8.1-10.6 QD1 ILE 54 - HG2 MET 121 far 0 87 0 - 8.9-10.9 QD1 LEU 4 - HG2 MET 121 far 0 61 0 - 9.7-12.0 Violated in 2 structures by 0.02 A. Peak 10596 from cnoeabs.peaks (0.75, 2.29, 33.64 ppm; 6.01 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 55 - HB2 MET 121 far 0 92 0 - 8.2-9.9 Violated in 20 structures by 2.88 A. Peak 10597 from cnoeabs.peaks (2.51, 1.83, 16.54 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.78: HG3 GLN 25 + QE MET 121 OK 78 90 90 97 1.9-3.9 11429=65, 1.8/11448=55...(6) HG3 GLN 122 - QE MET 121 far 0 81 0 - 5.2-8.4 Violated in 2 structures by 0.02 A. Peak 10598 from cnoeabs.peaks (2.81, 1.83, 16.54 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.97: HB3 GLN 25 + QE MET 121 OK 97 97 100 100 2.6-4.1 3.0/10597=89...(8) Violated in 0 structures by 0.00 A. Peak 10599 from cnoeabs.peaks (1.46, 1.83, 16.54 ppm; 4.13 A): 0 out of 4 assignments used, quality = 0.00: HD2 LYS 53 - QE MET 121 far 0 61 0 - 6.1-10.0 HG12 ILE 7 - QE MET 121 far 0 100 0 - 7.2-8.6 HG12 ILE 57 - QE MET 121 far 0 100 0 - 8.7-10.3 HG3 LYS 20 - QE MET 121 far 0 77 0 - 8.7-10.3 Violated in 20 structures by 2.47 A. Peak 10600 from cnoeabs.peaks (0.85, 1.83, 16.54 ppm; 4.80 A increased from 4.04 A): 2 out of 9 assignments used, quality = 0.89: QG2 VAL 22 + QE MET 121 OK 76 96 80 100 4.0-5.0 2.1/10602=99...(5) QG2 VAL 117 + QE MET 121 OK 52 61 85 100 4.1-5.2 2.1/10601=98, ~10509=41...(7) QG2 ILE 5 - QE MET 121 poor 20 99 25 80 4.6-5.8 ~10592=35, ~11353=32...(5) HG13 ILE 5 - QE MET 121 far 0 100 0 - 5.7-7.0 QD1 LEU 14 - QE MET 121 far 0 84 0 - 7.9-9.3 HG13 ILE 57 - QE MET 121 far 0 84 0 - 8.5-9.9 QG2 ILE 57 - QE MET 121 far 0 98 0 - 8.8-9.9 QG2 THR 9 - QE MET 121 far 0 70 0 - 9.0-10.2 QG2 ILE 15 - QE MET 121 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 10601 from cnoeabs.peaks (0.71, 1.83, 16.54 ppm; 3.35 A): 1 out of 6 assignments used, quality = 0.63: QG1 VAL 117 + QE MET 121 OK 63 77 100 82 1.9-3.1 10510=41, 10519/11516=21...(8) QG2 ILE 18 - QE MET 121 far 0 87 0 - 4.1-5.3 QD2 LEU 81 - QE MET 121 far 0 100 0 - 5.9-7.2 QD1 ILE 57 - QE MET 121 far 0 100 0 - 7.0-8.2 QG2 VAL 78 - QE MET 121 far 0 61 0 - 9.5-10.4 QD1 LEU 6 - QE MET 121 far 0 94 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10602 from cnoeabs.peaks (0.64, 1.83, 16.54 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.90: QG1 VAL 22 + QE MET 121 OK 90 100 100 90 1.9-3.3 10865=69, 3.2/10586=40...(7) QD1 ILE 5 - QE MET 121 far 0 81 0 - 4.9-5.8 QD1 ILE 54 - QE MET 121 far 0 100 0 - 9.3-10.1 Violated in 1 structures by 0.00 A. Peak 10604 from cnoeabs.peaks (1.71, 2.24, 28.02 ppm; 5.82 A increased from 5.48 A): 2 out of 2 assignments used, quality = 0.75: HG3 LYS 123 + HB2 GLN 122 OK 67 97 95 73 3.8-6.5 1813/4.7=72 HG3 LYS 123 + HB3 GLN 122 OK 25 97 35 73 4.9-7.2 1813/4.7=72 Violated in 0 structures by 0.00 A. Peak 10605 from cnoeabs.peaks (4.03, 2.52, 33.53 ppm; 5.73 A increased from 4.58 A): 2 out of 10 assignments used, quality = 0.99: HA GLU 119 + HG3 GLN 122 OK 97 97 100 100 3.4-5.7 8290/3.0=95...(5) HA LYS 123 + HG3 GLN 122 OK 80 94 85 100 3.7-6.5 3.0/7934=79, ~7933=73...(8) HB3 SER 126 - HG3 GLN 122 far 0 99 0 - 5.8-11.0 HA PHE 120 - HG3 GLN 122 far 0 87 0 - 5.9-8.0 HB2 SER 126 - HG3 GLN 122 far 0 90 0 - 6.0-10.0 HA2 GLY 125 - HG3 GLN 122 far 0 65 0 - 6.5-9.2 HA2 GLY 125 - HG3 GLN 25 far 0 55 0 - 7.5-11.2 HA GLU 119 - HG3 GLN 25 far 0 87 0 - 8.5-10.4 HA PHE 120 - HG3 GLN 25 far 0 75 0 - 8.6-11.0 HA LYS 123 - HG3 GLN 25 far 0 83 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 10608 from cnoeabs.peaks (4.03, 2.41, 33.53 ppm; 4.36 A): 2 out of 9 assignments used, quality = 0.91: HA LYS 123 + HG2 GLN 122 OK 78 100 80 97 3.1-6.5 3.0/7933=67, ~7934=35...(9) HA GLU 119 + HG2 GLN 122 OK 58 100 60 97 3.0-5.6 8292/7053=86...(5) HA PHE 120 - HG2 GLN 122 far 5 100 5 - 4.1-8.0 HA GLU 66 - HG3 GLN 62 far 0 76 0 - 5.4-6.7 HB2 SER 126 - HG2 GLN 122 far 0 100 0 - 5.8-10.0 HB3 SER 126 - HG2 GLN 122 far 0 99 0 - 5.9-11.5 HA GLU 66 - HG2 GLN 62 far 0 73 0 - 5.9-7.9 HA GLU 87 - HG2 GLN 85 far 0 72 0 - 7.4-9.1 HA GLU 87 - HG3 GLN 85 far 0 72 0 - 7.6-9.6 Violated in 1 structures by 0.02 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 - 8.1-12.8 Violated in 20 structures by 5.96 A. Peak 10612 from cnoeabs.peaks (0.81, 1.70, 25.68 ppm; 4.36 A): 0 out of 1 assignment used, quality = 0.00: QD1 LEU 74 - HG3 LYS 39 far 0 61 0 - 9.6-10.6 Violated in 20 structures by 5.66 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 2.3-2.9 9016=57, 9010/2.1=53...(15) 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 3.7-4.3 2.1/9010=98, 3.2/9006=84...(8) 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 = 0.84: QG2 ILE 3 + QB ALA 124 OK 84 84 100 100 1.9-2.1 9006=76, 3.0/9010=57...(13) HG2 LYS 2 - QB ALA 124 far 0 99 0 - 8.0-9.8 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 1.8-2.2 9010=100, 9016/2.1=56...(14) HD3 LYS 2 - QB ALA 124 far 0 96 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 10619 from cnoeabs.peaks (0.85, 1.50, 18.93 ppm; 5.23 A increased from 4.92 A): 1 out of 4 assignments used, quality = 0.99: HG13 ILE 5 + QB ALA 124 OK 99 99 100 100 4.7-5.2 2.1/10620=94...(7) QG2 ILE 5 - QB ALA 124 far 0 94 0 - 5.5-6.0 QG2 VAL 117 - QB ALA 124 far 0 77 0 - 7.7-8.2 QG2 VAL 22 - QB ALA 124 far 0 99 0 - 8.4-9.0 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 5 assignments used, quality = 0.99: QD1 ILE 5 + QB ALA 124 OK 99 99 100 100 3.1-3.6 10940=72, 9009/9006=59...(9) QG1 VAL 78 - QB ALA 124 far 0 84 0 - 6.3-7.0 QG1 VAL 22 - QB ALA 124 far 0 92 0 - 7.0-7.6 QD1 LEU 4 - QB ALA 124 far 0 81 0 - 7.5-7.8 QD1 ILE 54 - QB ALA 124 far 0 97 0 - 8.2-9.0 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 2 assignments used, quality = 0.66: HB3 LYS 123 + QB ALA 124 OK 57 70 90 91 4.0-4.7 787/2.9=52, ~786=51...(5) HB2 GLU 128 + QB ALA 124 OK 22 99 35 63 4.0-5.3 11026/9010=35...(4) 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 2.8-3.7 4639=100, 4665/2.1=84...(14) 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 3.8-4.2 4638=98, 4655/2.1=88...(14) 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 = 0.84: QE TYR 27 + QB ALA 124 OK 84 84 100 100 3.2-4.1 9056/10620=83...(5) 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 3.9-4.4 2.2/10629=94, 4646=91...(11) QE TYR 102 - QB ALA 124 far 0 100 0 - 9.5-11.1 QE TYR 76 - QB ALA 124 far 0 100 0 - 9.6-10.2 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 2.2-3.8 4665=97, 2.2/10629=92...(12) QD TYR 102 - QB ALA 124 far 0 87 0 - 8.4-10.0 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 2.1-3.0 4655=81, 2.2/4665=62...(13) Violated in 0 structures by 0.00 A. Peak 10630 from cnoeabs.peaks (1.89, 4.14, 54.65 ppm; 4.20 A): 0 out of 1 assignment used, quality = 0.00: HB2 GLU 128 - HA ALA 124 far 0 94 0 - 5.3-6.4 Violated in 20 structures by 1.57 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 4.3-4.5 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 77 100 100 4.3-4.4 3.0/799=100, ~797=64...(4) HA SER 126 + HA2 GLY 125 OK 53 53 100 100 4.7-4.8 ~799=88, ~798=88...(6) Violated in 0 structures by 0.00 A. Peak 10638 from cnoeabs.peaks (8.10, 4.03, 63.46 ppm; 5.54 A increased from 4.92 A): 2 out of 2 assignments used, quality = 0.77: H GLU 128 + HB2 SER 126 OK 71 76 95 97 4.9-5.8 1970/7950=80...(5) H GLU 128 + HB3 SER 126 OK 20 87 25 94 5.4-6.1 1970/4.5=69, 2260/3.0=53...(4) Violated in 0 structures by 0.00 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 far 0 84 0 - 6.5-8.4 HB2 GLU 128 - HB3 SER 126 far 0 73 0 - 6.6-8.9 Violated in 20 structures by 1.44 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; 6.20 A increased from 5.79 A): 1 out of 2 assignments used, quality = 0.69: QD1 ILE 3 + HB2 SER 126 OK 69 81 100 86 5.8-6.2 9015=74, 10657/4.0=23...(4) QD1 ILE 3 - HB3 SER 126 far 0 70 0 - 6.8-7.4 Violated in 4 structures by 0.00 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 = 0.98: HB2 SER 126 + HA LEU 127 OK 92 100 95 97 4.1-5.4 7949/2.9=95, 10638/3.6=44 HB3 SER 126 + HA LEU 127 OK 74 99 75 99 4.3-5.7 ~7950=71, ~7949=71...(5) HA LYS 123 - HA LEU 127 far 0 100 0 - 7.2-8.3 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 = 0.94: HA ALA 124 + QD1 LEU 127 OK 94 100 100 94 2.0-2.8 2257/1834=39...(8) HA GLN 122 - QD1 LEU 127 far 0 87 0 - 7.4-8.5 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 = 0.79: HB2 LEU 127 + QD1 ILE 3 OK 70 81 100 87 1.9-2.7 1.8/11522=67...(5) HB2 GLU 128 + QD1 ILE 3 OK 30 65 75 62 2.5-5.9 4.0/9028=23...(6) HG2 MET 121 - QD1 ILE 3 far 0 100 0 - 5.8-7.5 HB3 LYS 123 - QD1 ILE 3 far 0 99 0 - 5.8-6.4 HB2 LYS 123 - QD1 ILE 3 far 0 77 0 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 10655 from cnoeabs.peaks (2.02, 0.97, 13.48 ppm; 5.25 A increased from 4.42 A): 2 out of 4 assignments used, quality = 0.94: HG3 GLU 128 + QD1 ILE 3 OK 78 96 100 81 2.1-5.4 3.0/11026=54...(3) HG2 GLU 128 + QD1 ILE 3 OK 74 96 95 81 2.0-5.7 3.0/11026=54...(3) HB2 MET 1 - QD1 ILE 3 far 5 96 5 - 5.0-8.5 HB2 GLN 25 - QD1 ILE 3 far 0 100 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (2.11, 0.97, 13.48 ppm; 4.54 A): 0 out of 1 assignment used, quality = 0.00: HG2 GLU 52 - QD1 ILE 3 far 0 94 0 - 8.2-10.9 Violated in 20 structures by 4.89 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 92 92 100 100 3.6-4.4 4.0/11522=90...(6) H SER 126 + QD1 ILE 3 OK 89 90 100 99 4.7-5.7 10635/9016=73...(6) Violated in 0 structures by 0.00 A. Peak 10660 from cnoeabs.peaks (7.35, 1.82, 40.10 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.65: HD21 ASN 11 + HB2 LEU 14 OK 65 65 100 100 5.8-6.2 3.5/9137=86...(20) HD22 ASN 11 - HB2 LEU 14 far 0 70 0 - 7.3-7.9 HD21 ASN 8 - HB2 LEU 14 far 0 73 0 - 8.5-10.1 Violated in 9 structures by 0.00 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 3.1-4.2 9041/4=91, 10668=90...(6) 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 3.2-3.6 2.9/4=98, ~2=63, 9046=58...(12) 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 3.6-4.1 9894/491=97...(9) HA ILE 3 + HA VAL 78 OK 97 98 100 99 4.2-5.0 2/9041=97, 3.2/10668=73...(4) HA ILE 54 - HA VAL 78 far 0 80 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 10667 from cnoeabs.peaks (1.42, 5.17, 60.23 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.72: HB2 LEU 4 + HA VAL 78 OK 72 73 100 98 3.7-4.2 3.8/9041=70...(10) HB3 LEU 4 - HA VAL 78 far 0 73 0 - 5.2-5.6 HG12 ILE 56 - HA VAL 78 far 0 98 0 - 7.8-8.5 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 3.1-4.2 4/9041=91, 10661=86...(6) HG2 LYS 2 - HA VAL 78 far 0 100 0 - 7.2-10.4 HG2 LYS 53 - HA VAL 78 far 0 69 0 - 7.7-11.8 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 3.6-4.1 10671/1.8=90...(7) 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 2.0-2.5 3.9/10954=85...(10) 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 2.8-3.2 9094=98, 9989/518=70...(6) H GLN 85 - HA LEU 82 far 0 87 0 - 9.2-9.5 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=50...(6) HA ILE 56 - HA GLN 28 far 0 81 0 - 8.4-8.9 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 = 0.82: H ARG 30 + HA ILE 56 OK 82 97 100 85 3.1-3.6 11361/339=52...(7) 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 2.9-3.5 9485=100, 11714/3.8=60...(10) 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 99 3.5-3.9 9926=96, 3.8/10220=53...(5) H LYS 94 - HA VAL 104 far 0 87 0 - 8.3-9.0 Violated in 0 structures by 0.00 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 2.5-3.6 9570=100, 11348/179=58...(6) H LYS 19 - HA ASP 31 far 0 94 0 - 9.5-10.3 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 2 assignments used, quality = 0.97: H ASP 84 + HA THR 108 OK 97 97 100 100 3.1-3.7 10023=96, 11403/2.9=71...(8) H GLU 111 - HA THR 108 far 0 100 0 - 7.7-8.1 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 2.2-2.7 10685=100, 10267/5538=76...(7) 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 2.9-3.4 10687=100, 1683/11014=48 H MET 121 - HA PHE 79 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 10689 from cnoeabs.peaks (1.46, 5.17, 60.23 ppm; 5.03 A): 2 out of 7 assignments used, quality = 0.99: HG LEU 4 + HA VAL 78 OK 97 99 100 97 4.4-5.0 2.9/10667=71...(7) HB2 LEU 4 + HA VAL 78 OK 64 65 100 98 3.7-4.2 3.8/9041=73...(9) HB3 LEU 4 - HA VAL 78 far 0 65 0 - 5.2-5.6 HB3 LEU 6 - HA VAL 78 far 0 100 0 - 6.2-6.7 HB2 LEU 74 - HA VAL 78 far 0 89 0 - 8.8-9.1 HG12 ILE 7 - HA VAL 78 far 0 99 0 - 9.5-10.0 HG LEU 80 - HA VAL 78 far 0 80 0 - 9.6-10.0 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 - 9.9-10.6 Violated in 20 structures by 6.46 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 3.4-4.1 10617/2.1=88...(10) Violated in 0 structures by 0.00 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 2.3-4.2 3.9=100 HE3 LYS 77 - HA MET 1 far 0 87 0 - 7.9-12.4 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 2.8-3.8 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 2 assignments used, quality = 0.99: HB3 MET 1 + HA MET 1 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 GLU 48 - HA MET 1 far 0 96 0 - 6.8-15.1 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 2.5-3.0 3.0=100 HG2 GLU 128 - HA MET 1 far 0 99 0 - 6.1-10.6 HG3 GLU 128 - HA MET 1 far 0 99 0 - 7.4-11.5 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 2 assignments used, quality = 0.90: HB3 MET 1 + HG3 MET 1 OK 90 90 100 100 2.2-3.0 3.0=100 HG2 GLU 48 - HG3 MET 1 far 0 97 0 - 8.3-16.2 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 - 9.9-13.1 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 2.4-3.0 3.0=100 HG2 GLU 48 - HG2 MET 1 far 0 100 0 - 8.4-15.8 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 HG3 GLU 128 - HG2 MET 1 far 0 90 0 - 5.5-11.9 HG2 GLU 128 - HG2 MET 1 far 0 90 0 - 6.3-11.8 HG3 GLU 52 - HG2 MET 1 far 0 61 0 - 9.8-13.1 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 2.8-3.8 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 1 assignment used, quality = 1.00: HA MET 1 + HG3 MET 1 OK 100 100 100 100 2.3-4.2 3.9=100 Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (4.12, 2.20, 33.17 ppm; 4.18 A): 1 out of 4 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 far 0 36 0 - 4.4-4.8 HA GLN 62 - HB2 MET 67 far 0 43 0 - 7.8-8.2 HB3 SER 72 - HB2 MET 67 far 0 57 0 - 9.9-10.3 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 2.5-3.0 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 2.2-3.0 3.0=100 HE3 LYS 77 - HB3 MET 1 far 0 77 0 - 7.8-13.9 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 4 assignments used, quality = 0.97: HG2 MET 1 + HB3 MET 1 OK 97 97 100 100 2.4-3.0 3.0=100 HG3 GLU 69 - HB2 MET 67 far 0 38 0 - 6.4-9.0 HG3 GLN 62 - HB2 MET 67 far 0 49 0 - 7.4-8.3 HG2 GLN 62 - HB2 MET 67 far 0 50 0 - 8.4-9.7 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 7 assignments used, quality = 0.99: HB2 MET 1 + HB3 MET 1 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 66 - HB2 MET 67 far 0 38 0 - 4.7-5.3 HG2 GLU 128 - HB3 MET 1 far 0 89 0 - 5.4-11.3 HG3 GLU 128 - HB3 MET 1 far 0 89 0 - 5.8-11.8 HB2 GLU 48 - HB3 MET 1 far 0 77 0 - 8.2-15.7 HG3 GLU 52 - HB3 MET 1 far 0 61 0 - 8.8-12.3 HB3 GLU 48 - HB3 MET 1 far 0 77 0 - 9.4-14.4 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 = 0.99: QE TYR 76 + HA MET 1 OK 99 100 100 100 2.1-4.5 4606=97, 2.2/10720=85...(4) Violated in 0 structures by 0.00 A. Peak 10716 from cnoeabs.peaks (7.13, 2.60, 30.98 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.94: QD PHE 51 + HG3 MET 1 OK 94 100 95 99 3.6-5.5 10717/1.8=91...(3) Violated in 4 structures by 0.02 A. Peak 10717 from cnoeabs.peaks (7.13, 2.43, 30.98 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 51 + HG2 MET 1 OK 95 100 100 95 3.5-4.8 4599/3.0=73...(3) Violated in 1 structures by 0.00 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 2.0-5.7 4599/1.8=99...(3) QE PHE 93 - HB2 MET 67 far 0 38 0 - 8.7-9.2 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 2.4-4.3 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 = 0.90: QD TYR 76 + HA MET 1 OK 90 100 100 91 2.2-4.9 2.2/4606=86, ~10186=13...(4) Violated in 0 structures by 0.00 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): 1 out of 3 assignments used, quality = 0.87: HA ILE 3 + QD1 LEU 4 OK 87 100 100 87 4.6-5.1 2/2388=83, 9043/3.1=11 HA ILE 54 - QD1 LEU 4 far 0 61 0 - 5.8-6.4 HA ILE 5 - QD1 LEU 4 far 0 98 0 - 5.9-6.2 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 2.9-3.6 2.5/9037=88, 1.8/9045=85...(16) HG2 MET 42 - QD1 LEU 4 far 0 100 0 - 5.2-6.5 HB2 TYR 27 - QD1 LEU 4 far 0 96 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 10734 from cnoeabs.peaks (1.68, 0.68, 25.98 ppm; 3.49 A): 1 out of 9 assignments used, quality = 0.88: HB ILE 54 + QD2 LEU 4 OK 88 100 100 88 1.9-2.5 11328/3.1=46...(8) HB ILE 56 - QD2 LEU 4 far 0 96 0 - 5.5-6.4 HG12 ILE 71 - QD2 LEU 4 far 0 84 0 - 6.2-6.6 HB ILE 56 - QD1 LEU 55 far 0 49 0 - 6.4-6.7 HB ILE 54 - QD1 LEU 55 far 0 55 0 - 7.1-7.4 HD3 LYS 20 - QD1 LEU 55 far 0 52 0 - 7.5-9.3 HD2 LYS 20 - QD1 LEU 55 far 0 51 0 - 7.5-9.0 HD3 LYS 73 - QD2 LEU 4 far 0 100 0 - 9.8-13.4 HD2 LYS 16 - QD1 LEU 55 far 0 53 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 10735 from cnoeabs.peaks (1.68, 0.64, 25.46 ppm; 4.17 A increased from 3.51 A): 2 out of 6 assignments used, quality = 0.99: HB ILE 54 + QD1 LEU 4 OK 98 100 100 98 3.2-4.1 10734/2.1=87...(7) HG12 ILE 71 + QD1 LEU 4 OK 59 84 100 71 3.7-4.0 ~9777=36, 1.8/5103=27...(6) HB ILE 56 - QD1 LEU 4 far 0 96 0 - 4.8-5.7 HD3 LYS 73 - QD1 LEU 4 far 0 100 0 - 7.8-11.0 HD2 LYS 73 - QD1 LEU 4 far 0 99 0 - 8.8-11.0 HD3 LYS 43 - QD1 LEU 4 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10736 from cnoeabs.peaks (1.87, 0.64, 25.46 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.64: QE MET 42 + QD1 LEU 4 OK 64 96 100 67 2.4-2.8 10737/2.1=51...(4) HG LEU 45 - QD1 LEU 4 far 0 96 0 - 4.2-5.0 QE MET 67 - QD1 LEU 4 far 0 98 0 - 5.5-6.2 HB3 LYS 73 - QD1 LEU 4 far 0 57 0 - 9.2-10.1 HB ILE 7 - QD1 LEU 4 far 0 65 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10737 from cnoeabs.peaks (1.88, 0.68, 25.98 ppm; 4.68 A increased from 3.94 A): 1 out of 15 assignments used, quality = 0.80: QE MET 42 + QD2 LEU 4 OK 80 87 100 92 4.4-4.5 10736/2.1=89, 9409/9040=23 HG LEU 45 - QD2 LEU 4 far 10 99 10 - 4.7-5.8 HB ILE 7 - QD1 LEU 55 far 2 38 5 - 4.7-5.4 QE MET 67 - QD2 LEU 4 far 0 100 0 - 6.8-7.4 HB ILE 71 - QD2 LEU 4 far 0 65 0 - 7.1-7.9 HB3 ARG 118 - QD1 LEU 55 far 0 51 0 - 7.6-9.1 HB2 LYS 20 - QD1 LEU 55 far 0 42 0 - 7.9-8.6 QE MET 67 - QD1 LEU 55 far 0 55 0 - 8.2-8.7 HB3 LYS 20 - QD1 LEU 55 far 0 42 0 - 8.4-8.9 QE MET 42 - QD1 LEU 55 far 0 42 0 - 8.7-9.4 HG LEU 127 - QD2 LEU 4 far 0 57 0 - 9.5-10.8 HB3 LYS 16 - QD1 LEU 55 far 0 55 0 - 9.8-10.8 HB2 LYS 16 - QD1 LEU 55 far 0 55 0 - 9.8-10.7 HB ILE 7 - QD2 LEU 4 far 0 81 0 - 9.9-10.2 HB2 LYS 73 - QD2 LEU 4 far 0 70 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 10739 from cnoeabs.peaks (1.07, 1.81, 27.65 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.91: QG2 ILE 3 + HG12 ILE 5 OK 91 92 100 99 4.1-4.7 11534/1.8=84...(6) 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 = 0.87: HB2 PHE 79 + QD1 ILE 5 OK 87 87 100 100 3.4-4.0 2.4/9055=59...(19) HG2 LYS 2 - QD1 ILE 54 far 0 56 0 - 5.1-7.4 HG3 LYS 2 - QD1 ILE 54 far 0 41 0 - 6.5-8.0 HG2 LYS 2 - QD1 ILE 5 far 0 81 0 - 7.8-10.4 HG3 LYS 2 - QD1 ILE 5 far 0 61 0 - 8.2-10.7 HB2 PHE 79 - QD1 ILE 18 far 0 62 0 - 9.0-9.5 Violated in 1 structures by 0.00 A. Peak 10741 from cnoeabs.peaks (4.73, 0.84, 17.12 ppm; 5.67 A): 0 out of 3 assignments used, quality = 0.00: HA ARG 30 - QG2 ILE 15 far 0 90 0 - 7.1-7.7 HA THR 9 - QG2 ILE 15 far 0 91 0 - 7.4-7.9 HA THR 9 - QG2 ILE 5 far 0 98 0 - 9.4-9.6 Violated in 20 structures by 0.94 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): 1 out of 5 assignments used, quality = 0.91: HA LEU 64 + QD2 LEU 6 OK 91 94 100 96 2.9-3.4 8120/11610=40...(12) HA LEU 38 - QD1 LEU 63 far 0 81 0 - 4.6-5.2 HB2 SER 35 - QD1 LEU 63 far 0 83 0 - 4.7-6.0 HA LEU 64 - QD1 LEU 63 far 0 74 0 - 5.6-5.9 HA LEU 38 - QD2 LEU 6 far 0 99 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 10745 from cnoeabs.peaks (0.84, 5.18, 58.22 ppm; 5.06 A): 2 out of 8 assignments used, quality = 0.99: QG2 ILE 5 + HA ILE 7 OK 98 99 100 99 4.2-4.4 10942/3.8=77...(5) QG2 THR 9 + HA ILE 7 OK 63 65 100 96 4.8-5.1 ~9108=55, 9117/3.2=53...(5) QG2 ILE 57 - HA ILE 7 far 0 99 0 - 5.2-6.1 HG13 ILE 57 - HA ILE 7 far 0 81 0 - 5.8-6.6 QD1 LEU 14 - HA ILE 7 far 0 81 0 - 7.8-8.3 QG2 ILE 15 - HA ILE 7 far 0 100 0 - 8.2-8.9 QG2 VAL 22 - HA ILE 7 far 0 94 0 - 8.6-9.8 HG13 ILE 5 - HA ILE 7 far 0 100 0 - 8.7-8.9 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 = 0.93: HA THR 9 + HA ASN 8 OK 84 84 100 100 4.4-4.4 3.0/37=100, 3.2/9123=60...(4) HA ASN 59 + HA ASN 8 OK 59 77 100 77 3.4-4.5 9097/829=56, 9096/823=46 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 2 assignments used, quality = 0.98: HA LEU 82 + HB2 ASN 8 OK 98 99 100 99 2.8-3.3 5580/9971=72...(6) HA ILE 57 - HB2 ASN 8 far 0 98 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 10755 from cnoeabs.peaks (1.43, 0.86, 19.21 ppm; 4.77 A increased from 4.49 A): 1 out of 7 assignments used, quality = 0.94: HB3 GLN 83 + QG2 THR 9 OK 94 94 100 100 4.5-4.6 1.8/10008=88...(9) QB ALA 113 - QG2 THR 9 lone 4 61 100 6 4.0-4.6 10421/9118=3, 9109/2.1=2 HG3 LYS 17 - QG2 THR 9 far 0 100 0 - 8.6-8.8 HG LEU 80 - QG2 THR 9 far 0 87 0 - 8.8-9.3 HB3 LYS 61 - QG2 THR 9 far 0 100 0 - 9.0-11.1 HB3 LEU 63 - QG2 THR 9 far 0 100 0 - 9.1-9.9 HG12 ILE 56 - QG2 THR 9 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10756 from cnoeabs.peaks (1.38, 0.86, 19.21 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.86: HG LEU 14 + QG2 THR 9 OK 86 100 100 86 3.5-4.1 ~11006=49, 3.0/10975=40...(4) HB3 LEU 81 - QG2 THR 9 far 0 57 0 - 7.1-7.5 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 3.9-4.3 9110/2.1=100, 10008=98...(9) Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (8.25, 3.03, 38.35 ppm; 5.46 A increased from 5.14 A): 1 out of 2 assignments used, quality = 0.78: H ILE 15 + HB2 ASN 11 OK 78 81 100 97 4.5-5.4 4.6/9137=63, 4.6/9136=60...(6) H GLU 112 - HB2 ASN 11 far 0 65 0 - 9.1-10.3 Violated in 0 structures by 0.00 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 97 98 100 99 4.1-4.7 3.0/61=95, 3.6/9157=32...(5) HA GLU 13 + HB3 ASP 12 OK 82 98 85 99 4.3-5.6 ~61=72, ~60=72...(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 3.3-5.8 2.9/2861=92, 2.9/2871=88...(10) Violated in 2 structures by 0.00 A. Peak 10770 from cnoeabs.peaks (2.75, 1.50, 40.10 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASN 11 + HB3 LEU 14 OK 100 100 100 100 3.4-4.0 1.8/9167=95, 9148/3.1=92...(19) HB3 ASP 109 - HB3 LEU 14 far 0 73 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10771 from cnoeabs.peaks (2.74, 1.82, 40.10 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.98: HB3 ASN 11 + HB2 LEU 14 OK 98 98 100 100 5.1-5.6 1.8/9137=95, 9148/3.1=82...(19) HB3 ASP 109 - HB2 LEU 14 far 0 94 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10772 from cnoeabs.peaks (7.35, 1.50, 40.10 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.85: HD21 ASN 11 + HB3 LEU 14 OK 81 81 100 100 4.4-4.9 10660/1.8=83...(18) HD22 ASN 11 + HB3 LEU 14 OK 25 84 30 100 5.7-6.5 3.5/9167=79, 1.7/9150=77...(19) Violated in 0 structures by 0.00 A. Peak 10773 from cnoeabs.peaks (0.71, 3.22, 66.59 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.88: QD1 ILE 57 + HA ILE 15 OK 88 100 100 88 2.9-3.3 9559=58, 9556/3.0=39...(8) QG2 ILE 18 - HA ILE 15 far 0 92 0 - 4.2-4.8 QG1 VAL 117 - HA ILE 15 far 0 84 0 - 7.1-8.1 QD2 LEU 81 - HA ILE 15 far 0 100 0 - 7.2-7.9 QG2 ILE 56 - HA ILE 15 far 0 81 0 - 8.5-9.0 QD1 LEU 6 - HA ILE 15 far 0 97 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (0.84, 0.73, 29.49 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.63: QD1 LEU 14 + HG13 ILE 18 OK 63 65 100 96 3.3-3.7 10780/1.8=74...(6) QG2 VAL 22 - HG13 ILE 18 far 0 84 0 - 5.1-6.0 QG2 ILE 5 - HG13 ILE 18 far 0 100 0 - 6.4-6.9 HG13 ILE 57 - HG13 ILE 18 far 0 65 0 - 6.7-7.8 QG2 ILE 57 - HG13 ILE 18 far 0 100 0 - 6.7-7.2 QG2 ILE 15 - HG13 ILE 18 far 0 98 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 10780 from cnoeabs.peaks (0.85, 1.76, 29.49 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.89: QD1 LEU 14 + HG12 ILE 18 OK 89 90 100 100 2.4-2.8 11652/2.1=73...(9) QG2 VAL 117 - HG12 ILE 18 far 3 70 5 - 3.9-4.4 QG2 THR 9 - HG12 ILE 18 far 0 77 0 - 4.7-5.1 QG2 VAL 22 - HG12 ILE 18 far 0 98 0 - 5.7-6.6 QG2 ILE 15 - HG12 ILE 18 far 0 100 0 - 6.0-6.2 QG2 ILE 57 - HG12 ILE 18 far 0 96 0 - 6.2-6.7 HG13 ILE 57 - HG12 ILE 18 far 0 90 0 - 6.5-7.6 QG2 ILE 5 - HG12 ILE 18 far 0 97 0 - 7.5-7.9 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 4.3-4.8 11031/1.8=84...(15) QG2 THR 9 - HB3 LYS 19 far 0 70 0 - 7.5-7.9 QG2 VAL 117 - HB3 LYS 19 far 0 77 0 - 8.1-8.7 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 = 0.69: QG1 VAL 29 + HG2 LYS 19 OK 69 70 100 99 1.9-2.0 10926=60, 11520/3.8=51...(13) QD1 LEU 114 - HG2 LYS 19 far 0 87 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 10785 from cnoeabs.peaks (0.72, 1.10, 27.09 ppm; 4.25 A): 1 out of 7 assignments used, quality = 0.62: QD1 ILE 57 + HG2 LYS 19 OK 62 73 100 85 2.6-3.6 10787/3.0=36...(7) QD2 LEU 55 - HG2 LYS 19 far 0 84 0 - 4.4-5.3 QG2 ILE 18 - HG2 LYS 19 far 0 99 0 - 4.6-5.4 QG1 VAL 117 - HG2 LYS 19 far 0 100 0 - 7.6-8.5 HG13 ILE 18 - HG2 LYS 19 far 0 98 0 - 7.9-8.7 QD2 LEU 81 - HG2 LYS 19 far 0 70 0 - 9.8-10.8 QD2 LEU 6 - HG2 LYS 19 far 0 87 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 10786 from cnoeabs.peaks (0.84, 1.59, 29.87 ppm; 3.62 A): 2 out of 8 assignments used, quality = 0.91: QG2 ILE 15 + HD2 LYS 19 OK 78 94 100 83 2.1-3.6 11032/3.0=49, 10913=34...(6) QG2 ILE 15 + HD3 LYS 19 OK 58 94 75 82 2.2-4.6 11032/3.0=49...(6) QG2 ILE 57 - HD3 LYS 19 far 0 100 0 - 4.2-7.3 QG2 ILE 57 - HD2 LYS 19 far 0 100 0 - 4.2-6.2 QG2 VAL 22 - HD3 LYS 19 far 0 73 0 - 4.3-6.2 QG2 VAL 22 - HD2 LYS 19 far 0 73 0 - 5.2-6.2 QG2 ILE 5 - HD3 LYS 19 far 0 100 0 - 8.5-11.2 QG2 ILE 5 - HD2 LYS 19 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10787 from cnoeabs.peaks (0.72, 1.59, 29.87 ppm; 4.20 A): 2 out of 12 assignments used, quality = 0.87: QD1 ILE 57 + HD2 LYS 19 OK 73 87 90 93 2.8-4.5 10785/3.0=59...(9) QD1 ILE 57 + HD3 LYS 19 OK 52 87 65 93 2.2-5.1 10785/3.0=59...(9) QG2 ILE 18 - HD3 LYS 19 far 5 100 5 - 4.1-6.7 QD2 LEU 55 - HD3 LYS 19 far 0 70 0 - 4.6-7.3 QG2 ILE 18 - HD2 LYS 19 far 0 100 0 - 5.1-6.6 QD2 LEU 55 - HD2 LYS 19 far 0 70 0 - 5.7-7.0 HG13 ILE 18 - HD3 LYS 19 far 0 92 0 - 7.0-9.9 HG13 ILE 18 - HD2 LYS 19 far 0 92 0 - 7.6-10.0 QG1 VAL 117 - HD3 LYS 19 far 0 100 0 - 7.9-10.2 QG1 VAL 117 - HD2 LYS 19 far 0 100 0 - 8.8-10.0 QD2 LEU 81 - HD3 LYS 19 far 0 84 0 - 9.5-12.0 QD2 LEU 6 - HD3 LYS 19 far 0 73 0 - 10.0-12.4 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 + HG2 GLU 21 OK 99 99 100 99 1.9-4.2 8005/3.0=75...(9) HA ILE 18 + HG3 GLU 21 OK 94 100 95 100 2.4-4.9 8005/3.0=75...(9) Violated in 0 structures by 0.00 A. Peak 10789 from cnoeabs.peaks (0.71, 5.21, 53.37 ppm; 4.76 A increased from 4.23 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 57 + HA ASP 31 OK 99 99 100 100 4.1-4.7 9573=84, 3.2/9270=74...(9) QG2 ILE 56 + HA ASP 31 OK 67 70 100 96 3.6-4.8 1375/9570=84...(3) QD2 LEU 63 - HA ASP 31 far 0 100 0 - 7.5-8.6 QD1 LEU 6 - HA ASP 31 far 0 99 0 - 7.8-8.9 QG2 ILE 18 - HA ASP 31 far 0 97 0 - 8.2-9.0 QD2 LEU 45 - HA ASP 31 far 0 81 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 10791 from cnoeabs.peaks (0.69, 1.78, 33.88 ppm; 3.82 A increased from 3.59 A): 1 out of 4 assignments used, quality = 0.71: QG2 ILE 56 + HB VAL 32 OK 71 100 100 71 3.1-3.7 10677/1205=44...(6) QD2 LEU 63 - HB VAL 32 poor 19 77 25 - 3.6-4.9 QD1 ILE 57 - HB VAL 32 far 0 84 0 - 7.4-7.9 QD2 LEU 4 - HB VAL 32 far 0 73 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10794 from cnoeabs.peaks (0.86, 2.91, 40.87 ppm; 5.68 A increased from 5.35 A): 1 out of 3 assignments used, quality = 0.98: QG1 VAL 32 + HB2 ASN 33 OK 98 98 100 100 5.2-5.5 185/1210=87, 9319/4.6=83...(6) QG2 ILE 15 - HB2 ASN 33 far 0 81 0 - 7.2-8.9 QG2 THR 9 - HB2 ASN 33 far 0 100 0 - 9.4-10.6 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 = 0.97: QD1 LEU 63 + HB2 ASN 33 OK 97 99 100 99 4.1-4.5 9308/3.0=90, 9320/4.6=74 QD1 ILE 15 - HB2 ASN 33 far 0 65 0 - 6.3-9.2 QG2 VAL 32 - HB2 ASN 33 far 0 70 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 10796 from cnoeabs.peaks (2.98, 3.92, 62.76 ppm; 6.16 A): 0 out of 4 assignments used, quality = 0.00: HE3 LYS 39 - HB2 SER 35 far 5 99 5 - 5.4-9.2 HE2 LYS 39 - HB2 SER 35 lone 4 100 25 15 3.6-9.2 ~9335=13 HE2 LYS 40 - HB2 SER 35 far 0 96 0 - 7.8-13.6 HE3 LYS 40 - HB2 SER 35 far 0 92 0 - 9.1-13.1 Violated in 12 structures by 0.50 A. Peak 10797 from cnoeabs.peaks (0.72, 3.92, 62.76 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 63 + HB2 SER 35 OK 94 96 100 98 2.8-4.2 9338/3.0=67...(7) Violated in 1 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (0.88, 3.92, 62.76 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.83: QD2 LEU 38 + HB2 SER 35 OK 83 84 100 100 4.2-4.9 10996/3.0=68...(8) QG1 VAL 32 - HB2 SER 35 far 0 94 0 - 5.5-6.1 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 2 assignments used, quality = 0.99: QD1 ILE 54 + HB2 GLU 52 OK 99 99 100 100 3.0-4.6 11351/1.8=99...(3) QD1 LEU 4 - HB2 GLU 52 far 0 100 0 - 7.0-9.4 Violated in 0 structures by 0.00 A. Peak 10805 from cnoeabs.peaks (0.78, 1.34, 24.91 ppm; 3.50 A): 1 out of 4 assignments used, quality = 0.71: QD2 LEU 64 + HG3 LYS 65 OK 71 100 100 71 2.1-3.4 397/1427=33...(4) QD2 LEU 80 - HG3 LYS 65 far 0 98 0 - 5.1-6.1 QD1 LEU 82 - HG3 LYS 65 far 0 99 0 - 5.8-7.6 QD1 LEU 80 - HG3 LYS 65 far 0 97 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 10806 from cnoeabs.peaks (0.80, 1.93, 32.27 ppm; 3.53 A): 0 out of 10 assignments used, quality = 0.00: QD1 LEU 114 - HB2 LYS 115 far 0 94 0 - 5.3-6.8 QD1 LEU 64 - HB3 LYS 65 far 0 90 0 - 5.3-6.4 QD1 LEU 114 - HB3 LYS 115 far 0 98 0 - 5.9-6.9 QD1 LEU 64 - HB2 LYS 65 far 0 89 0 - 6.3-6.5 QD1 LEU 81 - HB3 LYS 115 far 0 76 0 - 6.5-8.1 QD1 LEU 81 - HB2 LYS 115 far 0 71 0 - 6.6-8.2 QD1 LEU 74 - HB2 LYS 39 far 0 56 0 - 8.3-9.1 QD2 LEU 74 - HB2 LYS 39 far 0 50 0 - 8.9-9.7 QD1 LEU 74 - HB3 LYS 39 far 0 26 0 - 9.1-10.1 QG2 ILE 71 - HB3 LYS 65 far 0 81 0 - 10.0-11.0 Violated in 20 structures by 1.15 A. Peak 10807 from cnoeabs.peaks (8.02, 0.65, 14.72 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: H SER 72 + QD1 ILE 71 OK 100 100 100 100 4.2-4.6 447=100, 443/3.2=98...(9) H LYS 65 - QD1 ILE 71 far 0 77 0 - 7.1-7.5 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 2.6-4.8 2.2/10809=73...(10) Violated in 1 structures by 0.00 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 3.0-4.8 2.2/10808=77, ~10810=54...(9) QD TYR 102 - HE2 LYS 77 far 3 61 5 - 4.9-9.0 HZ PHE 120 - HE2 LYS 77 far 0 73 0 - 7.8-11.8 Violated in 0 structures by 0.00 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 2.8-5.1 10808/1.8=86...(11) Violated in 4 structures by 0.00 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 2.4-4.7 2.2/10810=81, ~10808=66...(10) QD TYR 102 - HE3 LYS 77 far 0 100 0 - 6.5-9.2 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 4.4-4.5 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 3.9-4.4 10220=91, 3.2/11383=71...(17) 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 4.3-4.6 496/3.8=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 4.2-4.4 2.2/5884=98, 5.6=80...(5) 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 4.5-4.5 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 4.8-5.7 10830/2.1=93, ~4666=89...(7) 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 4.22 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 99 2.7-3.9 2.2/4666=74...(10) Violated in 0 structures by 0.00 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 2.0-3.5 4666=75, 2.2/10830=71...(11) QD TYR 102 - QD1 LEU 127 far 0 65 0 - 7.5-9.0 HZ PHE 120 - QD1 LEU 127 far 0 70 0 - 9.3-10.8 Violated in 0 structures by 0.00 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 4.5-5.6 2.2/10830=96...(3) QE TYR 76 - QD1 LEU 127 far 0 98 0 - 7.9-9.7 QE TYR 102 - QD1 LEU 127 far 0 97 0 - 8.4-9.8 Violated in 3 structures by 0.00 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 2.0-3.7 1.8/9221=92, ~4571=92...(9) Violated in 0 structures by 0.00 A. Peak 10836 from cnoeabs.peaks (2.63, 6.59, 117.91 ppm; 5.66 A): 2 out of 2 assignments used, quality = 0.99: HG3 MET 121 + QE TYR 27 OK 95 95 100 100 2.8-5.5 1.8/4590=94...(8) HE2 LYS 53 + QE TYR 27 OK 90 95 95 99 3.4-6.0 3.0/4593=79, 3.6/9226=66...(5) 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 94 100 100 2.7-4.1 3.4/10582=57, 10577=55...(10) HB2 LEU 127 - QE TYR 27 far 0 79 0 - 7.5-8.6 HB3 LYS 123 - QE TYR 27 far 0 90 0 - 7.7-9.2 HB2 LYS 123 - QE TYR 27 far 0 76 0 - 7.9-9.5 HB2 LEU 81 - QE TYR 27 far 0 95 0 - 9.7-11.5 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 2.1-3.6 1.8/11440=97, ~4579=90...(10) HG3 GLU 128 - QD TYR 27 far 0 83 0 - 6.5-10.3 HG2 GLU 128 - QD TYR 27 far 0 83 0 - 7.3-10.5 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (0.64, 6.79, 132.82 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.96: QG1 VAL 22 + QD TYR 27 OK 85 85 100 100 3.9-5.0 10868/2.5=94...(16) QD1 ILE 54 + QD TYR 27 OK 76 79 100 96 5.5-6.0 9237/4.5=76, 330/9508=68 QD1 LEU 4 - QD TYR 27 far 0 89 0 - 6.8-7.8 QD1 ILE 56 - QD TYR 27 far 0 56 0 - 6.9-7.8 QD1 ILE 71 - QD TYR 27 far 0 77 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 10841 from cnoeabs.peaks (1.44, 6.86, 132.15 ppm; 5.58 A): 2 out of 7 assignments used, quality = 0.93: HG LEU 4 + QD TYR 76 OK 86 86 100 100 3.7-4.2 2.1/9037=100...(16) HB2 LEU 4 + QD TYR 76 OK 48 95 50 100 5.3-5.9 3.1/9037=94, 3.1/9039=89...(18) HG2 LYS 49 - QD TYR 76 far 0 64 0 - 5.9-13.3 HB3 LEU 4 - QD TYR 76 far 0 95 0 - 6.0-6.4 HG3 LYS 49 - QD TYR 76 far 0 64 0 - 7.2-13.2 HG12 ILE 56 - QD TYR 76 far 0 75 0 - 7.9-8.8 HG3 LYS 44 - QD TYR 76 far 0 96 0 - 9.5-11.5 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: QD1 LEU 74 + QD TYR 76 OK 95 95 100 100 2.0-2.5 9818/2.2=83, 2.1/4610=73...(12) QG2 ILE 71 + QD TYR 76 OK 95 95 100 100 3.4-3.7 9798=87, 9787/2.5=86...(9) QD2 LEU 74 + QD TYR 76 OK 92 92 100 100 3.5-4.2 2.1/4610=73, ~9818=58...(13) Violated in 0 structures by 0.00 A. Peak 10843 from cnoeabs.peaks (0.66, 6.86, 132.15 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.78: QD1 LEU 4 + QD TYR 76 OK 78 78 100 100 2.4-2.9 2.1/9039=87, 2.1/4612=82...(15) QD1 ILE 71 - QD TYR 76 far 0 97 0 - 5.3-5.8 QD1 ILE 56 - QD TYR 76 far 0 93 0 - 7.4-8.3 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 2.5-2.9 2.1/9693=97, 3.1/4674=83...(11) QD2 LEU 82 + QE PHE 93 OK 64 64 100 100 2.1-2.7 ~4667=77, ~11398=71...(9) QD1 LEU 81 - QE PHE 93 far 0 64 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 10848 from cnoeabs.peaks (8.04, 0.64, 20.11 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 22 + QG1 VAL 22 OK 100 100 100 100 2.3-2.8 4.0=98, 10849/2.1=73...(7) H ARG 118 - QG1 VAL 22 far 0 90 0 - 4.8-5.8 H GLY 26 - QG1 VAL 22 far 0 70 0 - 6.5-7.4 H GLN 122 - QG1 VAL 22 far 0 70 0 - 7.1-8.2 H THR 9 - QG1 VAL 22 far 0 97 0 - 9.6-10.1 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 = 0.98: H VAL 22 + QG2 VAL 22 OK 98 100 100 98 1.9-2.2 4.0=93, 10848/2.1=69 H GLY 26 - QG2 VAL 22 far 0 65 0 - 5.6-7.1 H ARG 118 - QG2 VAL 22 far 0 87 0 - 7.3-8.3 H GLN 122 - QG2 VAL 22 far 0 73 0 - 9.4-10.4 H THR 9 - QG2 VAL 22 far 0 98 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10850 from cnoeabs.peaks (6.78, 0.64, 20.11 ppm; 5.55 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 27 + QG1 VAL 22 OK 96 96 100 100 3.9-5.0 2.5/10868=89...(16) QD PHE 120 - QG1 VAL 22 far 0 92 0 - 5.8-6.6 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 5.0-5.9 2.2/10850=90...(9) Violated in 0 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 4.3-5.1 2.5/10860=94...(17) QD PHE 120 - QG2 VAL 22 far 0 92 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 10853 from cnoeabs.peaks (7.55, 4.13, 62.80 ppm; 5.83 A increased from 4.91 A): 1 out of 1 assignment used, quality = 0.84: HE21 GLN 25 + HA VAL 22 OK 84 84 100 100 3.4-5.5 4.4/11450=87...(5) Violated in 0 structures by 0.00 A. Peak 10855 from cnoeabs.peaks (3.94, 0.64, 20.11 ppm; 6.05 A): 2 out of 2 assignments used, quality = 0.74: HA GLU 21 + QG1 VAL 22 OK 65 65 100 100 4.4-4.7 3.0/10867=96...(5) HA MET 121 + QG1 VAL 22 OK 24 81 35 84 5.9-6.8 5.4/10602=79, 4.1/10594=18 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 3.6-4.3 10859/2.1=100, ~10781=73...(5) 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 99 3.3-4.0 9186/2.1=69...(10) 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 4.2-4.8 1.8/10868=80...(13) Violated in 3 structures by 0.00 A. Peak 10859 from cnoeabs.peaks (3.67, 0.85, 19.94 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.80: HA LYS 19 + QG2 VAL 22 OK 80 87 100 92 2.1-2.5 9198=50, 3.0/10781=43...(8) Violated in 0 structures by 0.00 A. Peak 10860 from cnoeabs.peaks (2.66, 0.85, 19.94 ppm; 4.35 A increased from 4.09 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 27 + QG2 VAL 22 OK 100 100 100 100 3.3-4.1 9213=78, 1.8/9216=64...(15) Violated in 0 structures by 0.00 A. Peak 10861 from cnoeabs.peaks (1.82, 4.13, 62.80 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.98: QE MET 121 + HA VAL 22 OK 98 99 100 99 2.0-3.2 10586=73, 10602/3.2=72...(11) HG12 ILE 5 - HA VAL 22 far 0 65 0 - 6.4-7.2 HB ILE 18 - HA VAL 22 far 0 99 0 - 7.5-8.0 HB3 LYS 19 - HA VAL 22 far 0 94 0 - 8.4-8.6 HB2 LYS 77 - HB2 SER 72 far 0 47 0 - 9.9-12.8 Violated in 0 structures by 0.00 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 3.5-4.6 2.5/11116=67...(15) HG3 GLN 100 - HB2 SER 72 far 7 66 10 - 3.4-8.5 HG3 GLN 100 - HB3 SER 72 far 3 66 5 - 4.8-8.9 Violated in 0 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (2.51, 4.13, 62.80 ppm; 5.47 A increased from 5.15 A): 1 out of 2 assignments used, quality = 0.98: HG3 GLN 25 + HA VAL 22 OK 98 98 100 100 2.3-5.4 3.0/11450=96...(6) HG3 GLN 122 - HA VAL 22 far 0 94 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 10864 from cnoeabs.peaks (2.82, 4.13, 62.80 ppm; 5.75 A): 1 out of 1 assignment used, quality = 1.00: HB3 GLN 25 + HA VAL 22 OK 100 100 100 100 3.9-5.2 1.8/11450=100...(6) Violated in 0 structures by 0.00 A. Peak 10865 from cnoeabs.peaks (1.82, 0.64, 20.11 ppm; 3.72 A): 1 out of 7 assignments used, quality = 0.99: QE MET 121 + QG1 VAL 22 OK 99 99 100 100 1.9-3.3 10602=98, 10586/3.2=51...(7) HG12 ILE 5 - QG1 VAL 22 far 0 65 0 - 3.9-4.7 HB ILE 18 - QG1 VAL 22 far 0 99 0 - 4.0-4.5 HB3 LYS 19 - QG1 VAL 22 far 0 94 0 - 5.9-6.4 HB ILE 57 - QG1 VAL 22 far 0 100 0 - 7.4-8.1 HB2 LEU 14 - QG1 VAL 22 far 0 100 0 - 7.4-8.0 HB ILE 3 - QG1 VAL 22 far 0 61 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 10866 from cnoeabs.peaks (1.32, 0.64, 20.11 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 55 + QG1 VAL 22 OK 100 100 100 100 4.2-4.8 9503/2.1=95, ~11139=65...(11) Violated in 0 structures by 0.00 A. Peak 10867 from cnoeabs.peaks (2.10, 0.64, 20.11 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.52: HB2 GLU 21 + QG1 VAL 22 OK 52 61 100 84 3.0-3.7 4.7/10848=44...(5) HG3 GLU 21 - QG1 VAL 22 far 5 97 5 - 2.0-5.4 HG2 GLU 21 - QG1 VAL 22 far 5 94 5 - 3.6-5.5 HB3 GLU 119 - QG1 VAL 22 far 0 70 0 - 9.0-10.0 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 3.8-4.4 1.8/10858=78, ~10860=61...(15) HB3 PHE 120 - QG1 VAL 22 far 0 77 0 - 6.9-7.7 Violated in 0 structures by 0.00 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 - 9.2-9.9 Violated in 20 structures by 5.46 A. Peak 10871 from cnoeabs.peaks (1.80, 0.85, 19.94 ppm; 4.34 A increased from 4.09 A): 2 out of 5 assignments used, quality = 0.80: HB2 LYS 19 + QG2 VAL 22 OK 75 77 100 98 4.0-4.4 3.0/10859=77...(6) HB ILE 18 + QG2 VAL 22 OK 21 65 35 92 4.1-5.1 4.5/10781=48...(6) HG12 ILE 5 - QG2 VAL 22 far 0 99 0 - 5.9-6.5 HB2 ARG 118 - QG2 VAL 22 far 0 99 0 - 7.8-9.6 HB ILE 3 - QG2 VAL 22 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 10872 from cnoeabs.peaks (1.58, 0.85, 19.94 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.91: HG3 LYS 19 + QG2 VAL 22 OK 70 81 90 96 4.0-4.8 3.8/10859=71...(4) HG LEU 55 + QG2 VAL 22 OK 70 73 95 100 4.3-4.9 2.1/11139=78...(8) HD3 LYS 19 - QG2 VAL 22 far 4 87 5 - 4.3-6.2 HD2 LYS 19 - QG2 VAL 22 far 0 87 0 - 5.2-6.2 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 = 0.73: HB3 LEU 55 + QG2 VAL 22 OK 73 73 100 100 3.7-4.0 3.1/11139=72, 9503=58...(11) Violated in 0 structures by 0.00 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 2.9-3.9 10860/2.1=83...(15) 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: QD1 ILE 3 - HG2 MET 1 far 14 96 15 - 4.3-9.2 HD3 LYS 2 - HG2 MET 1 far 0 100 0 - 5.2-9.4 Violated in 17 structures by 1.63 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: QD1 ILE 3 - HG3 MET 1 far 0 96 0 - 5.1-8.9 HD3 LYS 2 - HG3 MET 1 far 0 100 0 - 5.2-10.0 Violated in 20 structures by 1.46 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: QD PHE 51 - HG3 GLU 128 poor 13 65 20 - 4.2-9.9 QD PHE 51 - HG2 GLU 128 lone 0 65 40 1 4.0-9.8 QE PHE 79 - HG2 GLU 128 far 0 94 0 - 6.8-11.1 QE PHE 79 - HG3 GLU 128 far 0 94 0 - 7.2-10.4 Violated in 11 structures by 0.59 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 7 assignments used, quality = 0.00: HB2 SER 126 - HG2 GLU 128 far 0 100 0 - 5.8-9.8 HB3 SER 126 - HG2 GLU 128 far 0 97 0 - 6.2-10.2 HB2 SER 126 - HG3 GLU 128 far 0 100 0 - 6.5-9.7 HB3 SER 126 - HG3 GLU 128 far 0 97 0 - 6.7-9.9 HA LYS 123 - HG2 GLU 128 far 0 100 0 - 7.4-11.7 HA LYS 123 - HG3 GLU 128 far 0 100 0 - 8.1-11.9 HA PHE 120 - HG2 GLU 128 far 0 100 0 - 9.7-14.7 Violated in 19 structures by 1.59 A. Peak 10882 from cnoeabs.peaks (7.56, 2.97, 38.17 ppm; 4.85 A increased from 4.31 A): 2 out of 2 assignments used, quality = 0.96: HE21 GLN 25 + HB3 ASN 24 OK 86 100 95 90 2.1-5.0 10887=53, 10887/1.8=37...(7) HE21 GLN 25 + HB2 ASN 24 OK 74 100 80 92 2.5-6.0 10887=46, 10887/1.8=43...(7) Violated in 0 structures by 0.00 A. Peak 10883 from cnoeabs.peaks (8.02, 2.97, 38.17 ppm; 5.51 A increased from 4.64 A): 2 out of 3 assignments used, quality = 0.43: H GLY 26 + HB3 ASN 24 OK 28 99 95 29 4.9-6.3 9210/10887=28 H GLY 26 + HB2 ASN 24 OK 21 99 85 25 5.0-7.0 9210/10887=24 H ARG 118 - HB2 ASN 24 far 0 90 0 - 9.5-12.0 Violated in 1 structures by 0.02 A. Peak 10884 from cnoeabs.peaks (2.51, 2.97, 38.17 ppm; 5.68 A increased from 5.34 A): 2 out of 2 assignments used, quality = 0.80: HG3 GLN 25 + HB2 ASN 24 OK 69 94 90 82 4.1-6.2 1.8/10885=46...(4) HG3 GLN 25 + HB3 ASN 24 OK 35 94 45 83 4.8-6.4 3.5/10882=42, ~10885=37...(4) Violated in 0 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (2.38, 2.97, 38.17 ppm; 5.86 A increased from 4.68 A): 2 out of 4 assignments used, quality = 0.92: HG2 GLN 25 + HB2 ASN 24 OK 81 100 95 86 3.2-6.2 1.8/10884=57...(4) HG2 GLN 25 + HB3 ASN 24 OK 60 100 70 85 3.2-7.2 ~10884=46, 3.5/10882=44...(4) HB3 TYR 27 - HB2 ASN 24 far 0 96 0 - 7.0-8.4 HB3 TYR 27 - HB3 ASN 24 far 0 96 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 10886 from cnoeabs.peaks (2.05, 2.97, 38.17 ppm; 5.35 A): 0 out of 1 assignment used, quality = 0.00: HB VAL 117 - HB2 ASN 24 far 0 99 0 - 9.3-11.2 Violated in 20 structures by 4.87 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 2.1-3.9 4620/1.8=95, ~4687=67...(6) QE TYR 102 - HB2 GLU 69 far 0 84 0 - 5.5-7.1 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 2.2-3.7 4619/1.8=99, 4620=99...(6) QE TYR 102 - HB3 GLU 98 far 0 72 0 - 9.0-9.8 QE TYR 102 - HB2 GLU 66 far 0 89 0 - 9.5-10.5 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 2.0-3.3 2.2/4620=89, 4686/1.8=76...(9) QD TYR 102 - HB3 GLU 98 far 0 56 0 - 7.4-8.4 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 2.4-3.7 4687/1.8=100...(8) QD TYR 102 - HB2 GLU 69 far 0 84 0 - 7.3-8.9 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 1 assignment used, quality = 0.00: HA MET 67 - HG2 GLN 100 far 0 84 0 - 9.8-12.5 Violated in 20 structures by 6.27 A. Peak 10894 from cnoeabs.peaks (3.96, 2.35, 34.18 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.69: HA ILE 97 + HG3 GLN 100 OK 69 70 100 100 1.9-5.4 11120/3.0=81...(8) Violated in 0 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 3.9-5.0 10685/1694=94...(6) HA GLN 83 - HB2 ARG 105 far 0 97 0 - 7.2-9.3 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 - HG3 GLU 21 far 0 68 0 - 4.4-6.2 HB ILE 18 - HG2 GLU 21 far 0 60 0 - 4.9-7.2 HB ILE 18 - HG3 GLU 21 far 0 52 0 - 4.9-7.9 HB3 ARG 105 - HB VAL 107 far 0 65 0 - 5.2-5.9 QE MET 121 - HG2 GLU 21 far 0 77 0 - 5.5-6.7 HB3 LYS 19 - HG3 GLU 21 far 0 70 0 - 6.3-8.8 HB3 LYS 19 - HG2 GLU 21 far 0 79 0 - 6.4-7.9 HB2 LEU 14 - HG2 GLU 21 far 0 65 0 - 7.9-10.0 HB2 LEU 14 - HG3 GLU 21 far 0 57 0 - 8.2-10.8 HB2 LEU 14 - HB VAL 107 far 0 90 0 - 8.7-9.3 Violated in 19 structures by 0.73 A. Peak 10898 from cnoeabs.peaks (1.40, 0.87, 20.76 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.85: QB ALA 113 + QG2 VAL 107 OK 85 87 100 98 2.3-3.1 11513/2.1=55...(20) HB3 LEU 114 - QG2 VAL 107 far 0 100 0 - 7.1-7.9 HG3 LYS 106 - QG2 VAL 107 far 0 99 0 - 7.4-7.7 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 4 assignments used, quality = 1.00: QB ALA 113 + QG1 VAL 107 OK 99 99 100 100 2.0-3.1 11513=88, 2.1/10314=54...(16) HB3 GLN 83 + QG1 VAL 107 OK 96 98 100 98 2.0-2.3 3.0/11020=40...(17) HG3 LYS 106 - QG1 VAL 107 far 0 87 0 - 5.7-6.4 HB3 LEU 114 - QG1 VAL 107 far 0 70 0 - 8.0-8.6 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 3 assignments used, quality = 0.96: HB3 ASP 109 + HB3 GLU 112 OK 87 87 100 100 2.4-4.6 10402/4.0=71...(14) HB3 ASP 109 + HB2 GLU 112 OK 73 87 85 100 2.1-5.4 10402/4.0=71...(13) HB2 ASP 60 - HB3 GLU 66 far 0 46 0 - 7.3-8.8 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 99 100 100 2.2-4.0 10403/4.0=60, 10358=51...(12) HB2 ASP 109 + HB2 GLU 112 OK 99 99 100 99 2.0-4.7 10403/4.0=60...(11) 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 = 0.99: HB2 ASP 109 + HG2 GLU 112 OK 89 97 95 96 1.9-5.6 10403/4.9=42...(11) HB2 ASP 109 + HG3 GLU 112 OK 89 97 95 96 2.7-4.9 10403/4.9=42...(11) HE2 LYS 77 - HG3 GLU 103 far 0 39 0 - 5.5-9.6 Violated in 1 structures by 0.00 A. Peak 10904 from cnoeabs.peaks (2.71, 2.34, 36.01 ppm; 6.07 A increased from 4.85 A): 2 out of 2 assignments used, quality = 0.93: HB3 ASP 109 + HG2 GLU 112 OK 73 77 95 100 2.5-6.2 10402/4.9=78...(11) HB3 ASP 109 + HG3 GLU 112 OK 73 77 95 100 3.9-6.4 10402/4.9=78...(11) Violated in 0 structures by 0.00 A. Peak 10905 from cnoeabs.peaks (2.10, 0.97, 28.89 ppm; 6.20 A): 3 out of 11 assignments used, quality = 0.97: HB VAL 107 + HG13 ILE 116 OK 73 73 100 100 2.5-3.8 10498/2.1=99, ~11417=88...(10) HB2 GLU 112 + HG13 ILE 116 OK 69 73 100 94 3.2-6.1 ~10476=56, ~10497=39...(6) HB3 GLU 112 + HG13 ILE 116 OK 67 70 100 96 4.2-5.3 ~10476=56, ~10497=39...(7) HG2 GLU 52 - HD3 LYS 2 far 4 78 5 - 5.8-10.5 HB2 GLU 119 - HG13 ILE 116 far 3 70 5 - 6.2-7.5 HG3 GLN 83 - HG13 ILE 116 far 0 70 0 - 6.5-7.9 HB3 GLU 119 - HG13 ILE 116 far 0 81 0 - 7.7-8.5 HB2 GLU 111 - HG13 ILE 116 far 0 100 0 - 8.3-10.9 HB3 GLU 47 - HD3 LYS 2 far 0 67 0 - 9.0-12.9 HG3 GLU 21 - HG13 ILE 116 far 0 99 0 - 9.2-11.7 HB2 GLU 21 - HG13 ILE 116 far 0 73 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (2.10, 1.58, 28.89 ppm; 4.86 A): 2 out of 9 assignments used, quality = 0.82: HB VAL 107 + HG12 ILE 116 OK 73 73 100 100 2.3-4.1 10498/2.1=90...(11) HB3 GLU 112 + HG12 ILE 116 OK 31 70 50 89 3.5-5.3 ~10476=34, 3.0/10907=29...(8) HB2 GLU 112 - HG12 ILE 116 poor 18 73 25 - 2.7-6.3 HB2 GLU 119 - HG12 ILE 116 far 0 70 0 - 6.3-7.1 HG3 GLN 83 - HG12 ILE 116 far 0 70 0 - 6.4-8.0 HB3 GLU 119 - HG12 ILE 116 far 0 81 0 - 7.7-8.6 HB2 GLU 111 - HG12 ILE 116 far 0 100 0 - 7.9-10.8 HG3 GLU 21 - HG12 ILE 116 far 0 99 0 - 9.2-12.7 HB2 GLU 21 - HG12 ILE 116 far 0 73 0 - 9.6-11.6 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 = 0.97: HG2 GLU 112 + HG12 ILE 116 OK 84 100 95 89 2.1-5.8 11339/2.1=46, ~10497=39...(7) HG3 GLU 112 + HG12 ILE 116 OK 84 100 95 88 2.0-5.6 11339/2.1=48, ~11339=36...(7) HG2 GLN 83 - HG12 ILE 116 far 0 100 0 - 7.6-9.3 HG3 GLU 103 - HG12 ILE 116 far 0 87 0 - 8.3-13.2 HB3 PHE 120 - HG12 ILE 116 far 0 96 0 - 9.5-10.0 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 1 assignment used, quality = 0.99: HG3 MET 121 + HA ARG 118 OK 99 99 100 100 3.6-5.2 3.4/11516=100...(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 - 8.5-9.3 QG2 ILE 7 - HB2 GLU 13 far 0 99 0 - 9.1-9.8 Violated in 20 structures by 3.73 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 2.1-3.8 10377=92, 3.0/10371=66...(12) HG3 GLN 85 - QD1 LEU 14 far 0 84 0 - 8.4-12.2 HG2 GLN 85 - QD1 LEU 14 far 0 90 0 - 8.8-11.6 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 3.2-4.0 11419=91, 1.8/10910=90...(12) HE2 LYS 19 - QD1 LEU 14 far 0 94 0 - 8.3-10.7 HE3 LYS 19 - QD1 LEU 14 far 0 94 0 - 8.6-10.9 Violated in 0 structures by 0.00 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 1.9-2.8 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 10 assignments used, quality = 0.89: HD2 LYS 19 + QG2 ILE 15 OK 60 96 90 70 2.1-3.6 10786=37, 3.0/11032=25...(5) HG3 LYS 19 + QG2 ILE 15 OK 50 98 95 53 2.6-4.4 3.0/10786=24...(5) HD3 LYS 19 + QG2 ILE 15 OK 43 96 65 69 2.2-4.6 1.8/10786=32, 10786=27...(5) HG12 ILE 116 - QG2 ILE 5 far 0 58 0 - 7.8-8.4 HG LEU 82 - QG2 ILE 5 far 0 93 0 - 8.0-8.4 HG3 LYS 19 - QG2 ILE 5 far 0 91 0 - 8.2-10.4 HG LEU 68 - QG2 ILE 5 far 0 72 0 - 8.4-9.4 HD3 LYS 19 - QG2 ILE 5 far 0 88 0 - 8.5-11.2 HB2 LEU 82 - QG2 ILE 5 far 0 54 0 - 9.1-9.5 HD2 LYS 19 - QG2 ILE 5 far 0 88 0 - 9.8-11.0 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 2 assignments used, quality = 0.99: QD2 LEU 114 + HB3 LYS 17 OK 99 100 100 99 2.4-2.8 10915/1.8=65...(8) QD1 LEU 55 - HB3 LYS 17 far 0 77 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 10915 from cnoeabs.peaks (0.66, 1.99, 33.06 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 114 + HB2 LYS 17 OK 95 96 100 100 2.2-2.6 10914/1.8=79...(7) 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 1 assignment used, quality = 0.99: QD2 LEU 114 + HG2 LYS 17 OK 99 99 100 100 4.3-4.6 10914/3.0=80...(6) Violated in 0 structures by 0.00 A. Peak 10918 from cnoeabs.peaks (0.66, 1.43, 25.82 ppm; 4.58 A increased from 4.08 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 114 + HG3 LYS 17 OK 95 96 100 99 4.2-4.4 10919/3.0=70...(6) Violated in 0 structures by 0.00 A. Peak 10919 from cnoeabs.peaks (0.67, 1.68, 29.70 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 114 + HD2 LYS 17 OK 98 99 100 99 2.7-3.5 11514/1.8=61...(7) Violated in 0 structures by 0.00 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 4.3-4.6 10919/1.8=71...(8) HG13 ILE 15 - HD3 LYS 17 far 0 70 0 - 9.3-10.0 QG1 VAL 22 - HD3 LYS 17 far 0 77 0 - 9.8-10.3 Violated in 0 structures by 0.00 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 3.4-3.7 10515/10524=81, 11126=80...(10) HA LEU 114 - QD1 ILE 5 far 0 62 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 10923 from cnoeabs.peaks (1.58, 0.90, 21.87 ppm; 4.25 A increased from 4.00 A): 1 out of 9 assignments used, quality = 0.61: HG3 LYS 19 + QG2 VAL 29 OK 61 61 100 100 3.4-4.0 3.8/9247=57, ~10926=55...(13) HD3 LYS 19 - QG2 VAL 29 poor 17 70 25 - 3.2-5.4 HD2 LYS 19 - QG2 VAL 29 far 7 70 10 - 3.4-5.5 HG LEU 55 - QG2 VAL 29 far 0 90 0 - 5.4-6.2 HG LEU 68 - QG2 VAL 104 far 0 51 0 - 6.3-6.7 HD2 LYS 106 - QG2 VAL 104 far 0 40 0 - 6.8-8.8 HD3 LYS 106 - QG2 VAL 104 far 0 42 0 - 6.9-8.0 HG3 LYS 96 - QG2 VAL 104 far 0 58 0 - 8.0-8.5 HG12 ILE 116 - QG2 VAL 104 far 0 58 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 10924 from cnoeabs.peaks (1.58, 0.80, 21.46 ppm; 3.47 A): 2 out of 4 assignments used, quality = 0.77: HG3 LYS 19 + QG1 VAL 29 OK 60 61 100 98 2.4-3.3 1.8/10926=58...(11) HD3 LYS 19 + QG1 VAL 29 OK 42 70 65 93 2.4-4.2 3.0/10926=46...(10) HD2 LYS 19 - QG1 VAL 29 poor 19 70 30 93 2.0-4.2 3.0/10926=46...(10) HG LEU 55 - QG1 VAL 29 far 0 90 0 - 5.9-6.5 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 2 assignments used, quality = 0.99: HG2 LYS 19 + QG1 VAL 29 OK 99 100 100 100 1.9-2.0 10784=54, ~10923=45...(13) QG2 ILE 3 - QG1 VAL 29 far 0 65 0 - 9.8-10.6 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 = 0.99: QD1 ILE 56 + HG2 ARG 30 OK 99 100 100 99 2.5-3.7 9550/2.8=78, 9259/2.8=58...(9) QD2 LEU 4 - HG2 ARG 30 far 0 77 0 - 5.6-6.8 QD1 ILE 71 - HG2 ARG 30 far 0 94 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 10928 from cnoeabs.peaks (1.89, 0.76, 21.14 ppm; 3.57 A): 1 out of 9 assignments used, quality = 0.76: QE MET 67 + QG2 VAL 32 OK 76 84 100 90 2.1-2.9 10929/2.1=69...(6) HG LEU 45 - QG2 VAL 32 far 0 90 0 - 7.2-7.8 HB2 LYS 44 - QG2 VAL 32 far 0 65 0 - 7.2-7.8 HB2 LYS 43 - QG2 VAL 32 far 0 81 0 - 8.1-8.8 HB3 LYS 44 - QG2 VAL 32 far 0 84 0 - 8.4-9.1 HB ILE 7 - QG2 VAL 32 far 0 100 0 - 8.8-9.7 HB2 LEU 45 - QG2 VAL 32 far 0 90 0 - 9.0-9.7 HB3 LYS 43 - QG2 VAL 32 far 0 96 0 - 9.5-10.2 HB ILE 71 - QG2 VAL 32 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (1.89, 0.87, 21.73 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.93: QE MET 67 + QG1 VAL 32 OK 93 97 100 96 2.7-3.3 9724=62, 10928/2.1=59...(7) HB2 LEU 63 - QG1 VAL 32 far 0 73 0 - 4.0-4.8 HG LEU 45 - QG1 VAL 32 far 0 99 0 - 8.6-9.1 HB3 LYS 43 - QG1 VAL 32 far 0 81 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10930 from cnoeabs.peaks (1.46, 0.87, 21.73 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.98: HB3 LEU 38 + QG1 VAL 32 OK 98 100 100 98 1.9-2.5 1.8/11525=56...(9) HG2 LYS 39 - QG1 VAL 32 far 0 100 0 - 6.2-7.5 HG3 ARG 30 - QG1 VAL 32 far 0 97 0 - 6.9-8.8 HG12 ILE 57 - QG1 VAL 32 far 0 100 0 - 8.0-8.6 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 = 0.83: HG LEU 63 + QG1 VAL 32 OK 83 99 100 84 3.8-4.4 ~11488=53, 3.0/11260=36...(4) HG3 LYS 40 - QG1 VAL 32 far 0 99 0 - 6.1-8.0 HB3 LEU 64 - QG1 VAL 32 far 0 81 0 - 7.7-8.3 Violated in 4 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 5.0-5.8 ~9711=94, ~10991=92...(11) HG3 GLN 62 - HG LEU 38 far 0 100 0 - 7.6-8.4 HG2 GLN 62 - HG LEU 38 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 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 2.8-3.8 8038/2.9=87...(9) 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 4.3-5.3 8038/2.9=99...(8) 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 2 assignments used, quality = 1.00: HA ASP 36 + HD3 LYS 39 OK 99 100 100 99 2.6-5.1 8037/3.5=76...(8) HA ASP 36 + HD2 LYS 39 OK 89 100 90 99 2.6-5.2 8037/3.5=76...(8) Violated in 0 structures by 0.00 A. Peak 10937 from cnoeabs.peaks (4.24, 1.71, 29.31 ppm; 4.16 A): 0 out of 10 assignments used, quality = 0.00: HA GLU 41 - HD3 LYS 44 far 0 47 0 - 4.6-5.6 HA GLU 41 - HD2 LYS 44 far 0 44 0 - 5.2-5.9 HA GLU 47 - HD2 LYS 44 far 0 78 0 - 6.4-7.8 HA GLU 47 - HD3 LYS 44 far 0 82 0 - 6.8-8.8 HA ALA 46 - HD2 LYS 44 far 0 75 0 - 7.3-9.5 HA ALA 46 - HD3 LYS 44 far 0 79 0 - 7.6-10.6 HA GLU 52 - HD3 LYS 44 far 0 63 0 - 8.6-16.0 HA GLU 41 - HD3 LYS 39 far 0 61 0 - 9.2-11.1 HA GLU 41 - HD2 LYS 39 far 0 61 0 - 9.5-11.1 HA GLU 52 - HD2 LYS 44 far 0 60 0 - 9.5-14.6 Violated in 20 structures by 0.44 A. Peak 10938 from cnoeabs.peaks (0.72, 1.65, 39.53 ppm; 3.59 A): 1 out of 10 assignments used, quality = 0.66: QD2 LEU 55 + HB ILE 5 OK 66 77 95 90 3.1-3.7 2.1/10939=69, ~11247=39...(5) QG1 VAL 117 - HB ILE 5 far 0 100 0 - 4.0-4.4 QG2 ILE 18 - HB ILE 5 far 0 100 0 - 5.3-5.7 QD2 LEU 6 - HB ILE 5 far 0 81 0 - 5.8-6.0 QG2 VAL 78 - HB ILE 5 far 0 99 0 - 5.9-6.5 QD1 ILE 57 - HB ILE 5 far 0 81 0 - 6.1-6.7 QD2 LEU 81 - HB ILE 5 far 0 77 0 - 6.3-6.7 QD1 LEU 6 - HB ILE 5 far 0 98 0 - 6.5-6.8 HG13 ILE 18 - HB ILE 5 far 0 96 0 - 8.5-9.2 QD2 LEU 45 - HB ILE 5 far 0 99 0 - 9.1-10.1 Violated in 4 structures by 0.01 A. Peak 10939 from cnoeabs.peaks (0.68, 1.65, 39.53 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.88: QD1 LEU 55 + HB ILE 5 OK 88 99 100 89 2.3-3.3 2.1/10938=67, ~11247=38...(5) QD2 LEU 4 - HB ILE 5 far 0 100 0 - 6.1-6.3 QG2 ILE 56 - HB ILE 5 far 0 77 0 - 6.4-7.3 QD1 ILE 56 - HB ILE 5 far 0 65 0 - 6.5-7.3 QD2 LEU 114 - HB ILE 5 far 0 94 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10940 from cnoeabs.peaks (1.50, 0.62, 13.41 ppm; 3.63 A): 2 out of 14 assignments used, quality = 0.98: QB ALA 124 + QD1 ILE 5 OK 97 100 100 97 3.1-3.6 10620=61, 9006/9009=41...(9) HG2 ARG 30 + QD1 ILE 54 OK 36 72 65 76 3.4-3.9 ~11329=34, 3.0/9264=25...(6) HB3 LEU 14 - QD1 ILE 18 far 0 74 0 - 4.0-4.3 HB3 ARG 30 - QD1 ILE 54 far 0 66 0 - 4.6-5.8 HB2 LEU 6 - QD1 ILE 5 far 0 99 0 - 5.5-5.7 HB3 LEU 45 - QD1 ILE 54 far 0 44 0 - 5.8-7.2 HD3 LYS 17 - QD1 ILE 18 far 0 59 0 - 7.0-7.3 HG2 LYS 20 - QD1 ILE 18 far 0 78 0 - 7.4-7.7 HG LEU 6 - QD1 ILE 5 far 0 73 0 - 7.5-7.7 QB ALA 124 - QD1 ILE 54 far 0 78 0 - 8.2-9.0 HB2 LEU 6 - QD1 ILE 18 far 0 76 0 - 9.2-9.6 HB3 ARG 30 - QD1 ILE 5 far 0 92 0 - 9.3-10.3 HG2 ARG 30 - QD1 ILE 5 far 0 97 0 - 9.7-10.9 HG LEU 6 - QD1 ILE 18 far 0 50 0 - 9.9-10.2 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 4 assignments used, quality = 0.99: HG13 ILE 7 + QG2 ILE 5 OK 99 100 100 99 2.0-2.2 1.8/10942=94...(5) HD3 LYS 53 - QG2 ILE 5 far 0 81 0 - 7.9-10.3 HG13 ILE 7 - QG2 ILE 15 far 0 95 0 - 8.2-9.0 HD2 LYS 2 - QG2 ILE 5 far 0 97 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10942 from cnoeabs.peaks (1.45, 0.84, 17.12 ppm; 3.72 A): 1 out of 14 assignments used, quality = 0.72: HG12 ILE 7 + QG2 ILE 5 OK 72 84 100 85 3.0-3.3 1.8/10941=53...(5) HG12 ILE 57 - QG2 ILE 15 far 0 72 0 - 4.3-4.8 HB3 LEU 6 - QG2 ILE 5 far 0 87 0 - 4.6-4.8 HG12 ILE 57 - QG2 ILE 5 far 0 81 0 - 5.7-6.5 HB2 LEU 4 - QG2 ILE 5 far 0 94 0 - 5.9-6.1 HB3 LEU 4 - QG2 ILE 5 far 0 94 0 - 6.0-6.2 HG12 ILE 56 - QG2 ILE 5 far 0 61 0 - 6.2-7.0 HG LEU 80 - QG2 ILE 5 far 0 99 0 - 7.0-7.4 HG LEU 4 - QG2 ILE 5 far 0 99 0 - 7.5-7.7 HG3 LYS 17 - QG2 ILE 15 far 0 62 0 - 8.0-8.4 HG12 ILE 7 - QG2 ILE 15 far 0 75 0 - 8.1-8.9 HG3 ARG 30 - QG2 ILE 15 far 0 91 0 - 8.6-10.2 HG12 ILE 56 - QG2 ILE 15 far 0 54 0 - 9.2-9.7 HG3 ARG 30 - QG2 ILE 5 far 0 98 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10943 from cnoeabs.peaks (2.06, 0.84, 17.12 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.61: HB3 PHE 79 + QG2 ILE 5 OK 61 61 100 100 2.5-2.8 2.4/4647=80...(23) HB VAL 117 - QG2 ILE 5 far 0 94 0 - 4.8-5.2 HB2 GLU 13 - QG2 ILE 15 far 0 88 0 - 7.6-7.9 HB3 MET 67 - QG2 ILE 5 far 0 97 0 - 8.5-9.1 HB2 GLN 28 - QG2 ILE 5 far 0 98 0 - 9.0-10.6 HB VAL 117 - QG2 ILE 15 far 0 86 0 - 9.4-10.2 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 4.5-5.3 ~4583=89, 2.5/9515=87...(8) HG2 GLN 25 - HB2 LEU 55 far 0 70 0 - 8.9-10.9 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 3.5-4.2 2.5/4583=98...(9) HG2 GLN 25 - HB3 LEU 55 far 0 70 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 10946 from cnoeabs.peaks (1.87, 0.69, 17.09 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.72: QE MET 67 + QG2 ILE 56 OK 72 98 100 73 1.8-1.9 4951/9709=24...(7) QE MET 42 - QG2 ILE 56 far 0 96 0 - 3.7-4.7 HB2 LEU 63 - QG2 ILE 56 far 0 100 0 - 5.5-6.5 HB ILE 7 - QG2 ILE 56 far 0 65 0 - 6.0-6.6 HG LEU 45 - QG2 ILE 56 far 0 96 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 10947 from cnoeabs.peaks (1.52, 0.69, 17.09 ppm; 3.91 A): 1 out of 5 assignments used, quality = 0.83: HB3 ARG 30 + QG2 ILE 56 OK 83 94 95 93 3.6-4.2 9550/4491=66, ~9259=30...(9) HG LEU 6 - QG2 ILE 56 far 0 100 0 - 4.5-5.8 HB2 LEU 6 - QG2 ILE 56 far 0 77 0 - 4.7-6.2 HG LEU 38 - QG2 ILE 56 far 0 100 0 - 5.1-5.9 HG2 LYS 43 - QG2 ILE 56 far 0 92 0 - 9.6-10.5 Violated in 4 structures by 0.02 A. Peak 10948 from cnoeabs.peaks (1.53, 1.69, 39.82 ppm; 5.48 A increased from 4.39 A): 2 out of 3 assignments used, quality = 0.96: HG LEU 6 + HB ILE 56 OK 83 94 100 89 5.0-5.6 3.6/9536=75...(4) HB3 ARG 30 + HB ILE 56 OK 77 77 100 100 5.0-5.4 10947/2.1=95...(9) HG LEU 38 - HB ILE 56 far 0 96 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 10949 from cnoeabs.peaks (1.87, 0.96, 27.65 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.97: QE MET 67 + HG13 ILE 56 OK 88 94 100 94 3.1-4.0 10946/3.2=85...(4) QE MET 42 + HG13 ILE 56 OK 76 99 100 77 3.0-3.7 11532=55, 9547/2.1=35 HG LEU 45 - HG13 ILE 56 far 0 90 0 - 6.2-7.3 HB2 LEU 63 - HG13 ILE 56 far 0 100 0 - 8.9-10.3 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 = 0.85: HB ILE 56 + HA LEU 6 OK 85 87 100 98 3.0-3.8 9536=81, 11344/23=64...(4) HG12 ILE 71 - HA LEU 6 far 0 70 0 - 7.9-8.3 HB ILE 54 - HA LEU 6 far 0 99 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 10951 from cnoeabs.peaks (1.90, 5.35, 53.00 ppm; 5.50 A): 1 out of 3 assignments used, quality = 0.96: HB ILE 7 + HA LEU 6 OK 96 99 100 97 4.6-4.7 1051/23=92, 3.2/11340=37...(4) QE MET 67 - HA LEU 6 poor 16 73 60 37 4.9-6.0 9725/3.9=26, ~9716=15 HB ILE 71 - HA LEU 6 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (0.77, 1.51, 44.53 ppm; 3.96 A increased from 3.73 A): 1 out of 7 assignments used, quality = 0.93: QD1 LEU 80 + HB2 LEU 6 OK 93 98 100 95 3.4-4.0 10954/1.8=86...(6) QD2 LEU 80 - HB2 LEU 6 far 0 97 0 - 5.2-5.6 QD1 ILE 7 - HB2 LEU 6 far 0 100 0 - 6.1-6.3 QD2 LEU 64 - HB2 LEU 6 far 0 81 0 - 6.4-6.7 QD1 LEU 45 - HB2 LEU 6 far 0 77 0 - 7.7-8.1 QD1 LEU 82 - HB2 LEU 6 far 0 94 0 - 8.0-8.7 QG2 VAL 32 - HB2 LEU 6 far 0 98 0 - 8.4-9.3 Violated in 2 structures by 0.00 A. Peak 10954 from cnoeabs.peaks (0.77, 1.46, 44.53 ppm; 3.51 A): 1 out of 9 assignments used, quality = 0.86: QD1 LEU 80 + HB3 LEU 6 OK 86 94 100 91 1.9-2.6 10953/1.8=59...(9) QD2 LEU 80 - HB3 LEU 6 far 0 92 0 - 4.2-4.5 QD2 LEU 64 - HB3 LEU 6 far 0 70 0 - 5.6-6.0 QD1 ILE 7 - HB3 LEU 6 far 0 100 0 - 5.8-6.0 QD1 LEU 82 - HB3 LEU 6 far 0 87 0 - 6.6-7.3 QD1 LEU 45 - HB3 LEU 6 far 0 87 0 - 9.1-9.6 QG1 VAL 107 - HB3 LEU 6 far 0 100 0 - 9.1-9.5 QG2 VAL 32 - HB3 LEU 6 far 0 100 0 - 9.3-10.0 QD1 ILE 15 - HB3 LEU 6 far 0 100 0 - 10.0-11.9 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 2.8-3.5 10986/2.1=89...(10) Violated in 0 structures by 0.00 A. Peak 10958 from cnoeabs.peaks (7.82, 0.71, 22.93 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.96: H LYS 39 + QD2 LEU 63 OK 96 97 100 99 4.3-4.7 216/10988=64...(8) H GLU 66 - QD2 LEU 63 far 0 61 0 - 5.1-5.3 Violated in 1 structures by 0.00 A. Peak 10959 from cnoeabs.peaks (7.83, 0.74, 25.21 ppm; 6.20 A increased from 5.64 A): 1 out of 7 assignments used, quality = 1.00: H LYS 39 + QD1 LEU 63 OK 100 100 100 100 5.9-6.2 10958/2.1=92...(6) H VAL 78 - QD2 LEU 6 far 0 84 0 - 7.5-8.3 HE21 GLN 62 - QD1 LEU 63 far 0 65 0 - 7.7-8.2 H LYS 39 - QD1 LEU 45 far 0 36 0 - 7.9-8.5 H VAL 78 - QD1 LEU 45 far 0 36 0 - 8.0-8.7 H LYS 39 - QD2 LEU 6 far 0 84 0 - 9.0-9.5 HE21 GLN 62 - QD2 LEU 6 far 0 48 0 - 10.0-12.1 Violated in 10 structures by 0.01 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 - 8.4-9.0 Violated in 20 structures by 2.56 A. Peak 10961 from cnoeabs.peaks (0.72, 3.91, 57.78 ppm; 4.29 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 6 + HA LEU 64 OK 99 100 100 99 2.8-3.3 2.1/10743=69...(12) QD2 LEU 6 + HA LEU 64 OK 66 70 100 95 2.9-3.4 10743=55, ~10965=38...(11) QD2 LEU 63 - HA LEU 64 far 0 94 0 - 5.2-5.8 QG2 VAL 78 - HA LEU 64 far 0 97 0 - 8.1-8.9 QD2 LEU 55 - HA LEU 64 far 0 65 0 - 8.7-9.2 QG2 VAL 78 - HA GLU 128 far 0 83 0 - 8.9-11.0 QD1 ILE 57 - HA LEU 64 far 0 90 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 10962 from cnoeabs.peaks (2.40, 3.91, 57.78 ppm; 5.78 A): 1 out of 4 assignments used, quality = 1.00: HG3 MET 67 + HA LEU 64 OK 100 100 100 100 4.3-5.3 3.0/8120=97, 3.0/8118=92...(9) HG2 GLU 66 - HA LEU 64 far 0 99 0 - 6.3-7.3 HG3 GLN 62 - HA LEU 64 far 0 70 0 - 7.2-7.9 HG2 GLN 62 - HA LEU 64 far 0 65 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 10963 from cnoeabs.peaks (1.44, 3.91, 57.78 ppm; 5.70 A): 1 out of 10 assignments used, quality = 0.68: HB3 LEU 63 + HA LEU 64 OK 68 70 100 98 4.0-4.5 ~386=81, 387/2.9=67...(5) HB3 LEU 6 - HA LEU 64 far 0 77 0 - 6.1-6.6 HB3 LEU 38 - HA LEU 64 far 0 65 0 - 6.1-6.5 HB3 LYS 61 - HA LEU 64 far 0 90 0 - 7.3-8.2 HG LEU 80 - HA LEU 64 far 0 100 0 - 8.1-8.8 HG12 ILE 56 - HA LEU 64 far 0 73 0 - 8.3-9.1 HG LEU 4 - HA GLU 128 far 0 81 0 - 9.3-11.8 HG12 ILE 57 - HA LEU 64 far 0 70 0 - 9.5-10.1 HB2 LEU 4 - HA LEU 64 far 0 98 0 - 9.7-10.2 HB3 LEU 4 - HA LEU 64 far 0 98 0 - 10.0-10.6 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 7 assignments used, quality = 1.00: QD1 LEU 6 + HB2 LEU 64 OK 99 100 100 99 2.6-3.2 10965/1.8=79, ~11537=46...(11) QD2 LEU 6 + HB2 LEU 64 OK 66 70 100 95 4.1-4.5 ~10965=53, ~11537=46...(7) QD2 LEU 63 - HB2 LEU 64 far 0 94 0 - 6.4-6.6 QD2 LEU 55 - HB2 LEU 64 far 0 65 0 - 8.7-9.4 QG2 VAL 78 - HB2 LEU 64 far 0 97 0 - 9.2-10.0 QD1 ILE 57 - HB2 LEU 64 far 0 90 0 - 9.2-9.8 QD2 LEU 81 - HB2 LEU 64 far 0 87 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (0.72, 1.63, 41.35 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 6 + HB3 LEU 64 OK 98 100 100 98 3.9-4.2 10964/1.8=46, ~11537=45...(11) QD2 LEU 6 - HB3 LEU 64 far 0 70 0 - 5.3-5.6 QD2 LEU 63 - HB3 LEU 64 far 0 94 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 10967 from cnoeabs.peaks (0.79, 0.38, 23.07 ppm; 3.31 A): 2 out of 5 assignments used, quality = 0.94: QD2 LEU 80 + QD2 LEU 68 OK 79 87 100 91 2.2-3.0 9922/2.1=43...(11) QD1 LEU 80 + QD2 LEU 68 OK 72 84 100 86 2.3-2.9 9925/2.1=36, ~9922=31...(12) QD2 LEU 64 - QD2 LEU 68 far 5 99 5 - 3.3-4.0 QD1 LEU 82 - QD2 LEU 68 far 0 92 0 - 5.4-6.0 QD1 LEU 81 - QD2 LEU 68 far 0 100 0 - 7.6-7.9 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 - HB3 SER 72 lone 1 77 40 2 4.0-8.3 HE22 GLN 100 - HB2 SER 72 lone 0 77 35 2 5.2-9.1 Violated in 7 structures by 0.18 A. Peak 10969 from cnoeabs.peaks (1.95, 1.29, 45.67 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: HB VAL 104 + HB3 LEU 80 OK 100 100 100 100 4.4-4.6 2.1/11088=91, 10225=85...(17) Violated in 0 structures by 0.00 A. Peak 10970 from cnoeabs.peaks (1.74, 5.27, 53.06 ppm; 5.71 A increased from 5.38 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 82 + HA LEU 81 OK 95 97 100 98 5.7-5.7 4.0/511=94, 1.8/10972=41 HG3 ARG 105 + HA LEU 81 OK 94 94 100 100 4.8-5.7 1697/10685=82...(6) HB2 LEU 80 + HA LEU 81 OK 92 92 100 100 5.7-5.8 ~504=67, ~7710=65...(11) HB3 LYS 94 - HA LEU 81 far 0 96 0 - 7.3-9.4 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 4 assignments used, quality = 0.92: HB3 ARG 105 + HA LEU 81 OK 92 92 100 100 2.7-3.6 11633/5538=92...(8) HB ILE 97 - HA LEU 81 far 0 65 0 - 8.1-8.9 HG12 ILE 5 - HA LEU 81 far 0 61 0 - 9.6-10.1 HB2 LEU 14 - HA LEU 81 far 0 100 0 - 10.0-10.6 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 84 87 100 96 4.4-4.5 4.0/511=95, 1.8/10970=28 HG LEU 82 + HA LEU 81 OK 82 90 100 92 4.1-4.4 1545/511=88...(3) Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (0.90, 1.60, 26.76 ppm; 3.31 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 90 - HG LEU 82 far 0 100 0 - 3.9-4.5 QG2 VAL 104 - HG LEU 82 far 0 61 0 - 4.0-4.5 Violated in 20 structures by 0.49 A. Peak 10974 from cnoeabs.peaks (1.25, 2.29, 36.01 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 108 + HG2 GLU 87 OK 100 100 100 100 2.8-3.7 10326=100...(4) QG2 THR 108 + HG3 GLU 87 OK 41 100 45 91 4.0-4.7 10326/1.8=82...(3) QG2 THR 108 - HG2 GLU 111 far 0 90 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. Peak 10975 from cnoeabs.peaks (1.81, 0.86, 19.21 ppm; 4.92 A): 2 out of 7 assignments used, quality = 0.86: HB2 LEU 14 + QG2 THR 9 OK 73 73 100 99 2.2-2.6 3.0/10756=67...(10) HB ILE 18 + QG2 THR 9 OK 47 81 100 58 4.5-4.9 7985/11097=40, 3.2/9118=31 HB ILE 57 - QG2 THR 9 far 0 73 0 - 5.3-6.0 HB2 LEU 64 - QG2 THR 9 far 0 65 0 - 7.3-7.6 HB2 LYS 19 - QG2 THR 9 far 0 61 0 - 8.6-9.2 HB3 ARG 105 - QG2 THR 9 far 0 94 0 - 9.4-10.1 HG12 ILE 5 - QG2 THR 9 far 0 100 0 - 9.8-10.1 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 87 100 100 2.7-2.9 10020=80, 2.9/10026=58...(7) Violated in 0 structures by 0.00 A. Peak 10977 from cnoeabs.peaks (0.90, 2.07, 32.47 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 90 + HB2 LYS 94 OK 99 100 100 100 2.2-3.7 10101/3.0=77...(11) QG2 VAL 104 - HB2 LYS 94 poor 15 73 20 - 4.2-5.6 QD2 LEU 90 - HB2 LYS 94 poor 13 65 20 - 4.6-5.5 Violated in 0 structures by 0.00 A. Peak 10978 from cnoeabs.peaks (0.78, 2.07, 32.47 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 82 + HB2 LYS 94 OK 100 100 100 100 2.6-4.5 10980/1.8=90, 11392=76...(7) QD2 LEU 80 - HB2 LYS 94 far 0 100 0 - 5.2-6.8 QD1 LEU 80 - HB2 LYS 94 far 0 100 0 - 6.5-8.5 QD1 LEU 81 - HB2 LYS 94 far 0 90 0 - 7.2-9.2 QD2 LEU 64 - HB2 LYS 94 far 0 99 0 - 7.2-8.6 QG1 VAL 107 - HB2 LYS 94 far 0 77 0 - 7.8-9.6 Violated in 0 structures by 0.00 A. Peak 10979 from cnoeabs.peaks (0.89, 1.74, 32.47 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 90 + HB3 LYS 94 OK 91 92 100 99 1.8-3.5 10977/1.8=71...(10) QD2 LEU 90 + HB3 LYS 94 OK 63 90 80 88 4.2-5.5 ~10977=54, ~10101=48...(5) QG2 VAL 104 + HB3 LYS 94 OK 23 94 25 99 4.5-5.6 11509/3.0=76...(7) Violated in 0 structures by 0.00 A. Peak 10980 from cnoeabs.peaks (0.78, 1.74, 32.47 ppm; 4.31 A): 1 out of 6 assignments used, quality = 0.99: QD1 LEU 82 + HB3 LYS 94 OK 99 100 100 99 2.3-4.2 10978/1.8=64...(7) QD2 LEU 80 - HB3 LYS 94 far 0 100 0 - 5.1-6.4 QD1 LEU 80 - HB3 LYS 94 far 0 100 0 - 6.2-8.0 QD2 LEU 64 - HB3 LYS 94 far 0 99 0 - 7.0-8.4 QD1 LEU 81 - HB3 LYS 94 far 0 90 0 - 7.1-8.9 QG1 VAL 107 - HB3 LYS 94 far 0 77 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 10981 from cnoeabs.peaks (0.92, 1.34, 24.91 ppm; 4.51 A increased from 4.01 A): 1 out of 5 assignments used, quality = 0.57: HG13 ILE 97 + HG3 LYS 65 OK 57 94 100 61 3.8-4.5 ~10129=44, 10143/4676=19 QG1 VAL 104 - HG3 LYS 65 far 0 84 0 - 7.8-9.3 QD1 LEU 70 - HG3 LYS 65 far 0 92 0 - 8.0-9.3 QD1 LEU 90 - HG3 LYS 65 far 0 84 0 - 8.6-10.5 QD2 LEU 70 - HG3 LYS 65 far 0 84 0 - 9.3-11.1 Violated in 1 structures by 0.00 A. Peak 10982 from cnoeabs.peaks (0.91, 1.54, 30.10 ppm; 5.47 A increased from 4.37 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 90 + HD2 LYS 94 OK 99 100 100 99 3.9-5.4 11307/3.0=74...(7) QD1 LEU 90 + HD3 LYS 94 OK 79 100 80 99 2.9-5.8 11307/3.0=74...(7) HG13 ILE 97 - HD2 LYS 94 far 0 61 0 - 7.4-10.2 HG13 ILE 97 - HD3 LYS 94 far 0 61 0 - 7.4-10.3 Violated in 0 structures by 0.00 A. Peak 10984 from cnoeabs.peaks (4.02, 0.85, 17.08 ppm; 6.08 A increased from 5.72 A): 2 out of 4 assignments used, quality = 0.98: HA PHE 120 + QG2 ILE 5 OK 95 95 100 100 5.6-6.2 4558/4707=99...(14) HA GLU 13 + QG2 ILE 15 OK 62 100 65 96 6.0-6.2 1983/78=94, ~10766=24 HA GLU 119 - QG2 ILE 5 far 0 94 0 - 8.1-8.6 HA LYS 123 - QG2 ILE 5 far 0 95 0 - 9.8-10.2 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 5 assignments used, quality = 0.93: QD2 LEU 63 + HB2 LEU 38 OK 81 81 100 100 2.1-2.4 10988/3.1=91...(10) QD1 LEU 63 + HB2 LEU 38 OK 65 65 100 100 3.9-4.2 2.1/9684=75, ~10988=60...(9) QD2 LEU 6 - HB2 LEU 38 far 0 87 0 - 7.5-8.1 QD1 LEU 6 - HB2 LEU 38 far 0 96 0 - 9.0-9.5 QD2 LEU 45 - HB2 LEU 38 far 0 100 0 - 9.4-10.2 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 = 0.96: QD2 LEU 63 + QD1 LEU 38 OK 96 98 100 98 1.9-2.8 10988/2.1=66...(15) QD1 LEU 6 - QD1 LEU 38 far 0 100 0 - 5.6-6.0 QG2 VAL 78 - QD1 LEU 38 far 0 92 0 - 7.4-8.1 QD2 LEU 45 - QD1 LEU 38 far 0 92 0 - 7.5-8.1 QD1 ILE 57 - QD1 LEU 38 far 0 96 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 10988 from cnoeabs.peaks (0.72, 0.89, 25.56 ppm; 3.25 A increased from 3.06 A): 1 out of 5 assignments used, quality = 0.85: QD2 LEU 63 + QD2 LEU 38 OK 85 87 100 97 2.9-3.1 10987/2.1=59...(15) QD2 LEU 6 - QD2 LEU 38 far 0 81 0 - 6.5-7.0 QD1 LEU 6 - QD2 LEU 38 far 0 98 0 - 7.7-8.1 QD2 LEU 45 - QD2 LEU 38 far 0 99 0 - 7.9-8.3 QG2 VAL 78 - QD2 LEU 38 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 10989 from cnoeabs.peaks (2.18, 0.96, 25.76 ppm; 3.95 A increased from 3.72 A): 1 out of 5 assignments used, quality = 0.97: HG3 GLU 66 + QD1 LEU 38 OK 97 97 100 100 3.4-3.9 9385/2.1=83, ~11064=44...(11) HB3 GLN 62 - QD1 LEU 38 far 0 84 0 - 5.5-6.1 HB2 MET 42 - QD1 LEU 38 far 0 90 0 - 5.6-6.3 HB3 GLU 37 - QD1 LEU 38 far 0 99 0 - 6.0-6.3 HB2 GLN 62 - QD1 LEU 38 far 0 84 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 10990 from cnoeabs.peaks (2.40, 0.96, 25.76 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.99: HG2 GLU 66 + QD1 LEU 38 OK 97 97 100 100 3.5-4.0 1.8/10989=78...(11) HG3 MET 67 + QD1 LEU 38 OK 79 100 80 99 3.9-4.7 1.8/9711=79...(11) HG3 GLN 62 - QD1 LEU 38 far 0 81 0 - 4.5-5.3 HG2 GLN 62 - QD1 LEU 38 far 0 77 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 10991 from cnoeabs.peaks (2.57, 0.96, 25.76 ppm; 4.04 A increased from 3.80 A): 1 out of 2 assignments used, quality = 0.99: HG2 MET 67 + QD1 LEU 38 OK 99 99 100 100 3.0-3.8 9711=96, 3.3/10995=66...(11) HB3 ASP 60 - QD1 LEU 38 far 0 100 0 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (2.66, 0.96, 25.76 ppm; 4.81 A increased from 4.27 A): 1 out of 3 assignments used, quality = 0.95: HG2 MET 42 + QD1 LEU 38 OK 95 96 100 100 3.4-4.5 1.8/10993=87...(11) HB3 ASP 36 - QD1 LEU 38 far 0 100 0 - 8.5-8.8 HE3 LYS 61 - QD1 LEU 38 far 0 92 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 10993 from cnoeabs.peaks (2.75, 0.96, 25.76 ppm; 4.44 A increased from 4.18 A): 1 out of 2 assignments used, quality = 0.93: HG3 MET 42 + QD1 LEU 38 OK 93 94 100 100 3.8-4.2 1.8/10992=69...(12) HB2 ASP 60 - QD1 LEU 38 far 0 70 0 - 5.8-7.1 Violated in 0 structures by 0.00 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): 1 out of 8 assignments used, quality = 0.98: QE MET 67 + QD1 LEU 38 OK 98 98 100 99 1.9-2.3 9723=91, 3.3/9711=39...(13) HB2 LEU 63 - QD1 LEU 38 far 0 77 0 - 3.9-4.5 QE MET 42 - QD1 LEU 38 far 0 57 0 - 4.0-4.8 HB ILE 71 - QD1 LEU 38 far 0 92 0 - 7.2-8.1 HG LEU 45 - QD1 LEU 38 far 0 99 0 - 7.9-8.5 HB2 LEU 45 - QD1 LEU 38 far 0 65 0 - 8.9-9.7 HB2 LYS 73 - QD1 LEU 38 far 0 94 0 - 9.3-10.6 HB3 LYS 43 - QD1 LEU 38 far 0 77 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 10996 from cnoeabs.peaks (4.04, 0.89, 25.56 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.98: HA SER 35 + QD2 LEU 38 OK 98 99 100 99 2.9-3.3 8029/3.1=57, 8031/3.1=53...(10) HA GLU 66 - QD2 LEU 38 far 0 77 0 - 4.4-4.7 HA GLU 37 - QD2 LEU 38 far 0 65 0 - 5.9-6.1 HA LYS 40 - QD2 LEU 38 far 0 61 0 - 6.2-6.5 HA GLU 69 - QD2 LEU 38 far 0 81 0 - 8.2-8.7 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 2.0-2.6 11252/2.1=78, 11253=72...(10) HA GLN 62 - QD1 LEU 38 far 0 57 0 - 5.7-6.2 HB3 SER 72 - QD1 LEU 38 far 0 100 0 - 9.0-9.7 HB2 SER 72 - QD1 LEU 38 far 0 100 0 - 9.9-11.2 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 2.2-2.6 9699=95, 4948/10995=56...(13) H ASP 36 - QD1 LEU 38 far 0 84 0 - 6.6-6.9 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 - 9.9-10.9 Violated in 20 structures by 5.38 A. Peak 11001 from cnoeabs.peaks (7.63, 0.89, 25.56 ppm; 5.15 A): 0 out of 4 assignments used, quality = 0.00: H LEU 64 - QD2 LEU 38 far 0 94 0 - 6.4-6.8 H ASP 34 - QD2 LEU 38 far 0 61 0 - 6.4-6.7 H GLU 69 - QD2 LEU 38 far 0 96 0 - 6.6-7.1 H ALA 46 - QD2 LEU 38 far 0 100 0 - 9.1-9.8 Violated in 20 structures by 0.37 A. Peak 11002 from cnoeabs.peaks (7.81, 0.96, 25.76 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.97: H GLU 66 + QD1 LEU 38 OK 88 90 100 99 3.6-3.9 408/9699=64, 9696/2.1=59...(7) H LYS 39 + QD1 LEU 38 OK 77 77 100 100 4.3-4.6 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 1 assignment used, quality = 0.98: QG1 VAL 32 + HA LEU 38 OK 98 98 100 100 2.1-2.5 9288=97, 11505/3.0=49...(10) 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 3.4-4.1 3.5/9170=52, 3.5/9148=46...(24) HD21 ASN 11 + QD2 LEU 14 OK 89 90 100 100 2.2-2.6 3.5/9170=52, 9151/2.1=47...(22) 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 = 0.99: HE22 GLN 83 + QD2 LEU 14 OK 89 92 100 97 1.9-4.0 3.5/11007=48...(12) HE21 GLN 83 + QD2 LEU 14 OK 87 90 100 97 3.1-4.0 3.5/11007=48...(11) Violated in 0 structures by 0.00 A. Peak 11006 from cnoeabs.peaks (6.18, 0.76, 24.53 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.94: HG1 THR 9 + QD2 LEU 14 OK 94 100 100 95 2.6-3.4 9132/9144=60, ~10756=35...(8) Violated in 0 structures by 0.00 A. Peak 11007 from cnoeabs.peaks (2.12, 0.76, 24.53 ppm; 4.56 A increased from 3.84 A): 1 out of 5 assignments used, quality = 0.91: HG3 GLN 83 + QD2 LEU 14 OK 91 100 100 92 3.4-4.4 1.8/11008=71...(5) HB VAL 107 - QD2 LEU 14 far 0 100 0 - 7.4-7.8 HG3 GLU 21 - QD2 LEU 14 far 0 77 0 - 8.0-9.9 HG2 GLU 21 - QD2 LEU 14 far 0 84 0 - 8.3-9.3 HB2 GLU 21 - QD2 LEU 14 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 11008 from cnoeabs.peaks (2.33, 0.76, 24.53 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.96: HG2 GLN 83 + QD2 LEU 14 OK 96 100 100 96 4.6-4.8 1.8/11007=86...(4) HG2 GLU 112 - QD2 LEU 14 far 0 100 0 - 6.8-8.5 HG3 GLU 112 - QD2 LEU 14 far 0 100 0 - 7.8-9.0 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 4 assignments used, quality = 0.99: HG12 ILE 18 + QB ALA 113 OK 99 99 100 100 3.2-4.2 2.1/10421=93...(6) HG3 ARG 105 - QB ALA 113 far 0 65 0 - 6.4-10.0 HG2 LYS 17 - QB ALA 113 far 0 77 0 - 7.0-7.7 HB2 LYS 19 - QB ALA 113 far 0 65 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 11014 from cnoeabs.peaks (4.55, 2.09, 30.37 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.56: HA PHE 79 + HB2 GLU 103 OK 56 70 100 80 2.9-4.3 3.7/10206=45...(6) HA LYS 77 - HB2 GLU 103 far 0 100 0 - 7.7-8.3 Violated in 4 structures by 0.00 A. Peak 11015 from cnoeabs.peaks (0.68, 1.86, 32.95 ppm; 5.46 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 116 + HB2 ARG 105 OK 100 100 100 100 3.2-4.8 10500/3.0=91...(10) QG2 ILE 97 - HB2 ARG 105 far 0 100 0 - 8.8-9.7 QD2 LEU 114 - HB2 ARG 105 far 0 87 0 - 9.8-11.4 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 4 assignments used, quality = 0.97: QD1 ILE 116 + HG2 ARG 105 OK 96 96 100 100 2.1-4.0 10500=92, 11512/1.8=75...(12) QD2 LEU 81 + HG2 ARG 105 OK 23 65 35 99 4.4-5.7 2.1/11019=85, ~11633=64...(6) QG2 ILE 97 - HG2 ARG 105 far 0 98 0 - 9.4-10.8 QD2 LEU 114 - HG2 ARG 105 far 0 65 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 11018 from cnoeabs.peaks (0.79, 1.86, 32.95 ppm; 5.08 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 81 + HB2 ARG 105 OK 100 100 100 100 2.3-3.9 11633/1.8=100...(10) QD1 LEU 82 - HB2 ARG 105 far 0 90 0 - 6.7-7.7 QD1 LEU 80 - HB2 ARG 105 far 0 81 0 - 6.8-7.9 QD2 LEU 80 - HB2 ARG 105 far 0 84 0 - 7.5-8.4 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 2 assignments used, quality = 0.91: QD1 LEU 81 + HG2 ARG 105 OK 91 92 100 100 3.0-4.2 11633/3.0=77...(9) QD1 LEU 64 - HG2 ARG 105 far 0 77 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11020 from cnoeabs.peaks (2.34, 0.76, 21.72 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.97: HG2 GLN 83 + QG1 VAL 107 OK 97 97 100 100 2.7-3.2 10010/2.1=53...(16) HG3 GLU 112 - QG1 VAL 107 far 0 99 0 - 4.2-5.9 HG2 GLU 112 - QG1 VAL 107 far 0 98 0 - 4.2-6.0 HB3 PHE 120 - QG1 VAL 107 far 0 100 0 - 10.0-10.5 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 95 2.0-3.5 11465=39, 1.8/11465=34...(15) HG2 GLU 112 + QG2 VAL 107 OK 91 96 100 96 1.9-3.5 11465=39, 1.8/11465=34...(15) HG2 GLN 83 + QG2 VAL 107 OK 33 94 35 99 3.4-4.4 11020/2.1=68...(15) Violated in 0 structures by 0.00 A. Peak 11022 from cnoeabs.peaks (0.62, 1.74, 40.94 ppm; 5.79 A increased from 5.15 A): 1 out of 3 assignments used, quality = 0.94: QD1 ILE 18 + HB2 LEU 114 OK 94 94 100 100 5.6-5.8 11023/1.8=95, ~11628=86...(8) QG1 VAL 78 - HB2 LEU 68 far 10 66 15 - 5.6-6.8 QG1 VAL 22 - HB2 LEU 114 far 0 73 0 - 6.7-7.5 Violated in 2 structures by 0.00 A. Peak 11023 from cnoeabs.peaks (0.63, 1.40, 40.94 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.87: QD1 ILE 18 + HB3 LEU 114 OK 87 87 100 100 5.0-5.1 2.1/11628=94...(11) QG1 VAL 22 - HB3 LEU 114 far 0 84 0 - 5.3-6.2 Violated in 3 structures by 0.00 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 2.0-3.5 8264/3.0=96...(11) HA ALA 113 - HG2 ARG 118 far 0 99 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 11025 from cnoeabs.peaks (0.96, 3.91, 57.61 ppm; 5.63 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 38 + HA LEU 64 OK 83 86 100 97 4.1-4.3 9699/2097=73...(6) QD1 ILE 3 + HA GLU 128 OK 81 87 100 94 2.3-5.1 11026/3.0=59...(5) HG13 ILE 56 - HA LEU 64 far 0 89 0 - 7.1-7.9 HD3 LYS 2 - HA GLU 128 far 0 100 0 - 9.6-12.1 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 = 0.95: QD1 ILE 3 + HB2 GLU 128 OK 95 99 100 97 2.5-5.9 9028/1837=68...(7) HD3 LYS 2 - HB2 GLU 128 far 0 99 0 - 9.2-13.6 Violated in 0 structures by 0.00 A. Peak 11027 from cnoeabs.peaks (0.66, 3.37, 65.47 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 114 + HA ILE 18 OK 94 96 100 99 2.3-2.9 10439=80, 2.1/11028=41...(13) QD1 ILE 116 - HA ILE 18 far 0 65 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 11028 from cnoeabs.peaks (0.79, 3.37, 65.47 ppm; 4.56 A increased from 4.06 A): 1 out of 3 assignments used, quality = 0.89: QD1 LEU 114 + HA ILE 18 OK 89 90 100 99 4.1-4.6 2.1/11027=95...(8) QG1 VAL 29 - HA ILE 18 far 0 98 0 - 7.3-7.8 QD1 LEU 81 - HA ILE 18 far 0 99 0 - 9.0-9.4 Violated in 1 structures by 0.00 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 3.2-3.9 2.1/11031=83...(15) QD1 LEU 114 - HB2 LYS 19 far 0 90 0 - 8.7-9.1 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 4.2-4.5 10926/3.0=80...(15) QD1 LEU 114 - HB3 LYS 19 far 0 94 0 - 7.6-8.1 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 3.1-3.8 10783/1.8=73...(15) QG2 VAL 117 - HB2 LYS 19 far 0 65 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 11032 from cnoeabs.peaks (0.83, 2.70, 41.78 ppm; 3.41 A): 0 out of 8 assignments used, quality = 0.00: QG2 ILE 15 - HE2 LYS 19 poor 15 61 25 - 1.9-5.0 QG2 ILE 15 - HE3 LYS 19 poor 11 61 35 52 2.1-4.9 10786/3.0=23...(6) QD2 LEU 82 - HE2 LYS 61 far 0 67 0 - 3.6-9.0 QG2 ILE 57 - HE3 LYS 19 far 0 87 0 - 3.8-7.3 QG2 ILE 57 - HE2 LYS 19 far 0 87 0 - 4.4-7.5 QD1 LEU 64 - HE2 LYS 61 far 0 48 0 - 5.1-9.1 QG2 ILE 57 - HE2 LYS 61 far 0 53 0 - 9.4-14.4 QG2 ILE 5 - HE3 LYS 19 far 0 84 0 - 9.5-12.0 Violated in 10 structures by 0.23 A. Peak 11033 from cnoeabs.peaks (0.71, 2.70, 41.78 ppm; 3.95 A): 2 out of 10 assignments used, quality = 0.41: QD1 ILE 57 + HE3 LYS 19 OK 23 100 25 92 2.7-5.1 9558=47, 9558/1.8=38...(9) QD1 ILE 57 + HE2 LYS 19 OK 23 100 25 91 3.0-5.5 9558=47, 9558/1.8=39...(9) QG2 ILE 18 - HE3 LYS 19 far 0 90 0 - 5.8-7.8 QG2 ILE 18 - HE2 LYS 19 far 0 90 0 - 5.9-7.8 QG2 ILE 56 - HE3 LYS 19 far 0 84 0 - 7.6-10.6 QD1 LEU 6 - HE2 LYS 61 far 0 61 0 - 7.7-11.5 QG2 ILE 56 - HE2 LYS 19 far 0 84 0 - 8.2-11.3 QG1 VAL 117 - HE3 LYS 19 far 0 81 0 - 9.2-11.0 QD2 LEU 63 - HE2 LYS 61 far 0 68 0 - 9.3-11.6 QG1 VAL 117 - HE2 LYS 19 far 0 81 0 - 9.4-11.1 Violated in 13 structures by 0.22 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 3.7-4.2 10996/2.1=92...(10) HA GLU 66 + QD1 LEU 38 OK 69 70 100 99 3.8-4.3 3.7/10989=70...(7) HA GLU 37 - QD1 LEU 38 far 0 73 0 - 7.1-7.1 HA GLU 69 - QD1 LEU 38 far 0 87 0 - 7.4-7.9 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 65 100 100 2.4-4.6 3.0/8057=79...(9) HB3 ASP 36 - HA LYS 39 far 0 87 0 - 7.7-8.4 Violated in 0 structures by 0.00 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 3.4-4.5 1.8/11036=98...(9) Violated in 0 structures by 0.00 A. Peak 11038 from cnoeabs.peaks (0.89, 1.46, 25.42 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 38 + HG2 LYS 39 OK 98 99 100 99 1.9-4.9 9380/3562=70...(5) QD2 LEU 70 - HG2 LYS 39 lone 0 65 70 1 3.6-6.3 QG1 VAL 32 - HG2 LYS 39 far 0 65 0 - 6.2-7.5 Violated in 4 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 - 7.2-8.3 QD1 LEU 45 - HG2 LYS 39 far 0 61 0 - 8.5-9.0 Violated in 20 structures by 2.95 A. Peak 11042 from cnoeabs.peaks (2.84, 1.44, 45.31 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 76 + HB2 LEU 4 OK 99 99 100 100 5.0-5.7 9842/3.1=87, 2.5/9035=83...(17) HB3 TYR 76 + HB3 LEU 4 OK 65 99 65 100 6.0-6.7 9842/3.1=87, ~4617=78...(17) HE2 LYS 77 - HB2 LEU 4 far 0 61 0 - 8.9-11.5 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 3.4-4.5 11036/1.8=93...(9) Violated in 0 structures by 0.00 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 2.4-4.6 8057/3.0=89...(9) Violated in 0 structures by 0.00 A. Peak 11045 from cnoeabs.peaks (2.18, 4.13, 56.64 ppm; 4.31 A): 2 out of 6 assignments used, quality = 0.93: HG3 GLU 66 + HA LEU 63 OK 74 99 75 100 4.2-4.6 11069=88, 4910/8114=80...(9) HB3 GLN 62 + HA LEU 63 OK 72 77 100 93 3.9-4.4 378/2.9=45, ~7609=31...(10) HB2 GLN 62 - HA LEU 63 far 0 77 0 - 5.5-5.6 HB3 GLU 37 - HA LEU 63 far 0 97 0 - 7.5-7.9 HB2 GLU 69 - HA LEU 63 far 0 61 0 - 8.3-8.9 HB2 MET 42 - HA LEU 63 far 0 94 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 11046 from cnoeabs.peaks (2.40, 4.13, 56.64 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLN 62 + HA LEU 63 OK 93 94 100 99 3.3-4.2 7609/2.9=67...(12) HG2 GLU 66 + HA LEU 63 OK 87 87 100 100 3.3-4.7 3.0/8114=84...(9) HG2 GLN 62 - HA LEU 63 far 14 92 15 - 4.6-5.4 HG3 MET 67 - HA LEU 63 far 0 96 0 - 6.8-7.8 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 - 9.2-11.9 HB3 ASN 33 - HA LEU 63 far 0 96 0 - 9.7-10.1 Violated in 20 structures by 3.60 A. Peak 11048 from cnoeabs.peaks (4.04, 0.71, 22.93 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.94: HA SER 35 + QD2 LEU 63 OK 94 94 100 100 1.8-2.0 9338=85, 11049/2.1=50...(13) HA GLU 66 - QD2 LEU 63 far 0 90 0 - 6.1-6.5 HA LYS 40 - QD2 LEU 63 far 0 77 0 - 8.3-8.9 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 3.4-4.0 11048/2.1=90...(11) HA GLU 66 - QD2 LEU 6 far 0 74 0 - 7.4-8.0 HA LYS 40 - QD1 LEU 45 far 0 25 0 - 7.7-8.3 HA GLU 69 - QD2 LEU 6 far 0 41 0 - 7.9-9.0 HA GLU 66 - QD1 LEU 63 far 0 94 0 - 8.3-8.6 HA SER 35 - QD2 LEU 6 far 0 69 0 - 9.0-9.6 HA GLU 66 - QD1 LEU 45 far 0 30 0 - 9.5-10.0 HA LYS 40 - QD1 LEU 63 far 0 84 0 - 9.7-10.0 Violated in 0 structures by 0.00 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 4.3-5.0 11071=100, 11072/3.0=99...(12) 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 4.3-4.8 11072/3.0=99...(12) 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 = 0.99: QD1 ILE 97 + HB2 LEU 64 OK 93 94 100 100 5.1-5.6 11269/4781=90...(6) QD2 LEU 68 + HB2 LEU 64 OK 87 87 100 100 4.7-5.5 2.1/11071=96, 11074=82...(13) 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 4.1-4.9 11072/3.7=95...(12) 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 = 0.84: HZ PHE 93 + HA LYS 65 OK 84 84 100 100 3.8-4.3 ~4672=73, 11668/3.0=71...(8) Violated in 0 structures by 0.00 A. Peak 11055 from cnoeabs.peaks (7.10, 1.93, 32.27 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 79 + HB2 LYS 123 OK 99 99 100 100 3.1-4.0 4651=99, 4652/7119=69...(7) HZ PHE 93 + HB3 LYS 65 OK 64 65 100 98 3.1-4.5 2.2/4672=70...(9) HZ PHE 93 - HB2 LYS 65 far 0 65 0 - 4.5-5.0 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 3.3-4.1 2.2/4651=96...(6) QD TYR 102 - HB3 LYS 65 far 0 97 0 - 7.6-9.3 QD TYR 102 - HB2 LYS 65 far 0 97 0 - 8.8-9.9 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 4 assignments used, quality = 0.99: QD PHE 120 + HB2 LYS 123 OK 99 99 100 100 3.9-5.6 4703/1.8=98...(4) QD PHE 120 - HB2 LYS 115 far 0 92 0 - 8.2-9.7 QD PHE 120 - HB3 LYS 115 far 0 97 0 - 8.7-9.7 QD TYR 27 - HB2 LYS 123 far 0 100 0 - 9.7-11.5 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): 1 out of 14 assignments used, quality = 0.94: QD2 LEU 38 + HB2 GLU 66 OK 94 99 100 95 2.0-2.6 11067/4909=55...(9) QD2 LEU 70 - HB2 GLU 66 far 0 61 0 - 4.1-5.3 QG2 VAL 104 - HB3 GLU 98 far 0 54 0 - 4.6-5.2 QG2 VAL 104 - HB3 GLN 100 far 0 89 0 - 4.8-6.6 QD1 LEU 90 - HB2 GLU 89 far 0 61 0 - 5.6-6.4 QD2 LEU 90 - HB2 GLU 89 far 0 100 0 - 6.0-7.3 QD1 LEU 90 - HB3 GLU 89 far 0 61 0 - 6.0-7.0 QD2 LEU 90 - HB3 GLN 85 far 0 99 0 - 6.4-7.0 QG1 VAL 32 - HB2 GLU 66 far 0 70 0 - 6.4-7.2 QD2 LEU 90 - HB3 GLU 89 far 0 100 0 - 7.0-7.5 QG2 VAL 107 - HB3 GLN 85 far 0 71 0 - 7.4-9.4 QD1 LEU 90 - HB3 GLN 85 far 0 59 0 - 8.0-8.6 QD1 LEU 90 - HB3 GLU 98 far 0 26 0 - 8.2-8.7 QD2 LEU 90 - HB3 GLU 98 far 0 53 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11062 from cnoeabs.peaks (0.88, 2.09, 29.26 ppm; 3.39 A): 3 out of 11 assignments used, quality = 0.99: QD2 LEU 38 + HB3 GLU 66 OK 95 97 100 98 2.6-2.9 11060/1.8=71...(9) QG2 VAL 107 + HB3 GLU 112 OK 51 58 100 89 1.7-2.0 2.1/11063=39...(13) QG2 VAL 107 + HB2 GLU 112 OK 49 61 100 79 1.9-3.3 10399/4.0=30, ~11063=29...(10) QG1 VAL 32 - HB3 GLU 66 far 0 77 0 - 6.0-6.4 QG2 VAL 117 - HB2 GLU 112 far 0 52 0 - 6.6-8.6 QG2 VAL 117 - HB3 GLU 112 far 0 49 0 - 7.1-7.6 QD2 LEU 38 - HB3 GLU 69 far 0 87 0 - 7.4-7.9 QD2 LEU 90 - HB3 GLU 112 far 0 80 0 - 8.0-8.6 QD2 LEU 90 - HB2 GLU 112 far 0 84 0 - 8.1-9.5 QG2 THR 9 - HB3 GLU 112 far 0 42 0 - 9.0-9.5 QG2 THR 9 - HB2 GLU 112 far 0 45 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (0.77, 2.09, 29.26 ppm; 4.56 A increased from 4.05 A): 1 out of 14 assignments used, quality = 0.77: QG1 VAL 107 + HB3 GLU 112 OK 77 79 100 97 3.9-4.4 10298/711=50...(11) QG1 VAL 107 - HB2 GLU 112 far 8 83 10 - 3.8-5.8 QD2 LEU 64 - HB3 GLU 66 far 0 70 0 - 6.1-6.3 QD2 LEU 14 - HB3 GLU 112 far 0 79 0 - 6.3-6.8 QD2 LEU 14 - HB2 GLU 112 far 0 83 0 - 7.3-8.2 QG2 VAL 32 - HB3 GLU 66 far 0 100 0 - 7.3-7.8 QD2 LEU 64 - HB3 GLU 69 far 0 59 0 - 7.9-8.4 QD1 ILE 7 - HB2 GLU 112 far 0 84 0 - 8.7-11.0 QD1 LEU 80 - HB3 GLU 66 far 0 94 0 - 8.7-9.4 QD2 LEU 80 - HB3 GLU 66 far 0 92 0 - 9.1-9.8 QD1 ILE 7 - HB3 GLU 112 far 0 80 0 - 9.1-9.9 QD2 LEU 80 - HB3 GLU 69 far 0 81 0 - 9.1-9.8 QD1 LEU 45 - HB3 GLU 66 far 0 87 0 - 9.1-9.9 QD1 LEU 45 - HB3 GLU 69 far 0 75 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 11064 from cnoeabs.peaks (0.88, 2.39, 36.01 ppm; 4.28 A increased from 3.60 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 38 + HG2 GLU 66 OK 97 97 100 100 4.1-4.1 11067/1.8=94...(10) QG1 VAL 32 - HG2 GLU 66 far 0 77 0 - 7.1-8.0 Violated in 0 structures by 0.00 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 - 6.1-6.7 QG2 VAL 32 - HG2 GLU 66 far 0 92 0 - 8.8-9.4 QD1 LEU 80 - HG2 GLU 66 far 0 100 0 - 9.5-10.5 QD2 LEU 80 - HG2 GLU 66 far 0 100 0 - 9.6-10.4 Violated in 20 structures by 1.76 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 - 8.8-9.4 QG2 ILE 97 - HG2 GLU 66 far 0 98 0 - 9.6-10.1 Violated in 20 structures by 4.13 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 2.8-3.4 9385=93, 11060/4909=56...(10) QG1 VAL 32 - HG3 GLU 66 far 0 77 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 11068 from cnoeabs.peaks (0.72, 2.19, 36.01 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.73: QD2 LEU 63 + HG3 GLU 66 OK 73 73 100 99 4.2-4.7 10988/9385=86...(4) QD1 LEU 63 - HG3 GLU 66 far 0 73 0 - 6.8-7.2 QD2 LEU 6 - HG3 GLU 66 far 0 92 0 - 8.8-9.3 QD1 LEU 6 - HG3 GLU 66 far 0 92 0 - 9.4-9.8 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 = 0.94: HA LEU 63 + HG3 GLU 66 OK 94 99 95 100 4.2-4.6 8114/4910=84...(9) Violated in 4 structures by 0.01 A. Peak 11070 from cnoeabs.peaks (4.14, 2.39, 36.01 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.97: HA LEU 63 + HG2 GLU 66 OK 97 97 100 100 3.3-4.7 11069/1.8=89...(9) HA LEU 70 - HG2 GLU 66 far 0 57 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 11071 from cnoeabs.peaks (1.79, 0.51, 25.27 ppm; 5.21 A increased from 4.39 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 64 + QD1 LEU 68 OK 100 100 100 100 4.3-5.0 3.0/11072=90...(12) HB VAL 32 - QD1 LEU 68 far 0 87 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 11072 from cnoeabs.peaks (1.62, 0.51, 25.27 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.62: HG LEU 64 + QD1 LEU 68 OK 62 65 100 95 2.0-2.8 11073/2.1=66...(10) HB3 LEU 64 - QD1 LEU 68 far 0 99 0 - 4.3-4.8 HB2 LEU 82 - QD1 LEU 68 far 0 100 0 - 7.3-7.7 HG LEU 63 - QD1 LEU 68 far 0 99 0 - 9.0-10.0 HD2 LYS 77 - QD1 LEU 68 far 0 100 0 - 9.6-11.1 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 7 assignments used, quality = 0.74: HG LEU 64 + QD2 LEU 68 OK 74 77 100 97 2.6-3.4 11072/2.1=74...(10) HB3 LEU 64 - QD2 LEU 68 far 0 100 0 - 5.1-6.0 HD2 LYS 77 - QD2 LEU 68 far 0 100 0 - 7.4-9.1 HB2 LEU 82 - QD2 LEU 68 far 0 98 0 - 8.0-8.3 HB ILE 5 - QD2 LEU 68 far 0 61 0 - 8.0-8.5 HD3 LYS 77 - QD2 LEU 68 far 0 99 0 - 8.2-10.4 HG LEU 63 - QD2 LEU 68 far 0 97 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 11074 from cnoeabs.peaks (1.79, 0.38, 23.07 ppm; 5.71 A increased from 4.81 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 64 + QD2 LEU 68 OK 100 100 100 100 4.7-5.5 3.0/11073=95...(13) HB VAL 32 - QD2 LEU 68 far 0 92 0 - 8.7-10.0 HG2 ARG 105 - QD2 LEU 68 far 0 61 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 11075 from cnoeabs.peaks (1.69, 0.51, 25.27 ppm; 4.81 A): 0 out of 7 assignments used, quality = 0.00: HD3 LYS 96 - QD1 LEU 68 far 0 92 0 - 5.5-9.9 HD2 LYS 96 - QD1 LEU 68 far 0 87 0 - 5.8-9.1 HG12 ILE 71 - QD1 LEU 68 far 0 100 0 - 6.7-7.0 HB ILE 56 - QD1 LEU 68 far 0 99 0 - 7.8-8.5 HG3 ARG 95 - QD1 LEU 68 far 0 70 0 - 9.1-11.1 HD3 LYS 73 - QD1 LEU 68 far 0 94 0 - 9.2-12.1 HD2 LYS 73 - QD1 LEU 68 far 0 96 0 - 9.7-12.4 Violated in 20 structures by 0.87 A. Peak 11076 from cnoeabs.peaks (1.77, 0.74, 16.61 ppm; 5.14 A increased from 4.57 A): 1 out of 6 assignments used, quality = 0.96: HG12 ILE 18 + QG2 ILE 7 OK 96 96 100 100 4.8-5.0 2.1/11582=100, ~11581=62 HB2 LEU 64 - QG2 ILE 7 far 0 73 0 - 7.1-7.4 HB2 LEU 55 - QG2 ILE 7 far 0 87 0 - 7.7-8.3 HB2 LYS 19 - QG2 ILE 7 far 0 77 0 - 9.1-9.9 HG2 LYS 17 - QG2 ILE 7 far 0 65 0 - 9.2-9.4 HB VAL 32 - QG2 ILE 7 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 11077 from cnoeabs.peaks (1.69, 4.16, 57.77 ppm; 4.49 A increased from 4.22 A): 1 out of 9 assignments used, quality = 0.99: HD3 LYS 73 + HA LEU 70 OK 99 99 100 99 4.2-4.5 11661=91, 3.8/8160=55...(5) HG LEU 74 - HA LEU 70 lone 2 73 35 9 4.1-5.1 1482/2126=8 HD2 LYS 73 - HA LEU 70 far 0 100 0 - 4.9-5.5 HG12 ILE 71 - HA LEU 70 far 0 98 0 - 5.0-5.3 HD3 LYS 43 - HA LEU 70 far 0 99 0 - 8.7-11.8 HD2 LYS 43 - HA LEU 70 far 0 94 0 - 8.8-11.8 HD2 LYS 39 - HA LEU 70 far 0 65 0 - 9.1-11.9 HG3 LYS 39 - HA LEU 70 far 0 90 0 - 9.2-11.6 HD3 LYS 39 - HA LEU 70 far 0 70 0 - 9.3-12.7 Violated in 2 structures by 0.00 A. Peak 11078 from cnoeabs.peaks (2.56, 0.82, 18.37 ppm; 6.20 A increased from 5.20 A): 1 out of 2 assignments used, quality = 0.99: HG2 MET 67 + QG2 ILE 71 OK 99 99 100 100 5.1-6.2 9714/3.3=93...(8) HE3 LYS 77 - QG2 ILE 71 far 0 84 0 - 7.4-8.6 Violated in 4 structures by 0.00 A. Peak 11079 from cnoeabs.peaks (2.41, 0.82, 18.37 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.87: HG3 MET 67 + QG2 ILE 71 OK 87 87 100 100 4.9-6.2 1.8/11078=84...(8) Violated in 11 structures by 0.01 A. Peak 11080 from cnoeabs.peaks (4.16, 1.60, 24.91 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 70 + HG2 LYS 73 OK 99 100 100 100 2.5-4.4 11081/1.8=79...(4) HA LEU 45 - HG2 LYS 44 far 2 35 5 - 3.3-6.5 Violated in 0 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 = 0.87: HA LEU 70 + HG3 LYS 73 OK 87 90 100 97 2.3-4.2 11080/1.8=63...(4) Violated in 0 structures by 0.00 A. Peak 11082 from cnoeabs.peaks (2.28, 2.85, 38.17 ppm; 5.72 A): 1 out of 4 assignments used, quality = 0.75: HG3 GLU 87 + HB2 ASN 88 OK 75 87 100 86 5.5-5.5 552/1580=80, 3.0/11083=32 HG3 GLU 92 - HB2 ASN 88 far 0 65 0 - 6.1-8.5 HG2 GLU 87 - HB2 ASN 88 far 0 87 0 - 6.6-6.7 HG3 GLU 91 - HB2 ASN 88 far 0 99 0 - 8.6-8.7 Violated in 0 structures by 0.00 A. Peak 11083 from cnoeabs.peaks (2.03, 2.85, 38.17 ppm; 6.15 A increased from 5.46 A): 3 out of 8 assignments used, quality = 0.99: HB3 GLU 87 + HB2 ASN 88 OK 95 97 100 98 5.8-6.0 551/1580=90, 3.0/11082=79 HB2 GLU 89 + HB2 ASN 88 OK 58 97 60 99 5.8-6.8 4.0/556=89, ~11084=67...(6) HB3 GLU 89 + HB2 ASN 88 OK 38 97 40 99 5.2-6.8 4.0/556=89, ~11084=67...(5) HB2 MET 1 - HB3 TYR 76 far 4 80 5 - 4.5-9.0 HG2 GLU 128 - HB3 TYR 76 far 0 43 0 - 8.1-12.3 HG3 GLU 128 - HB3 TYR 76 far 0 43 0 - 8.6-13.2 HG3 GLU 52 - HB3 TYR 76 far 0 67 0 - 9.2-12.8 HB3 GLN 85 - HB2 ASN 88 far 0 97 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 11084 from cnoeabs.peaks (2.27, 2.90, 38.17 ppm; 5.33 A): 1 out of 3 assignments used, quality = 0.79: HG2 GLU 89 + HB3 ASN 88 OK 79 87 100 91 3.3-5.1 1588/557=68...(5) HG3 GLU 92 - HB3 ASN 88 poor 18 92 20 - 5.1-7.3 HG3 GLU 91 - HB3 ASN 88 far 0 87 0 - 8.8-8.9 Violated in 0 structures by 0.00 A. Peak 11085 from cnoeabs.peaks (2.04, 2.90, 38.17 ppm; 5.41 A increased from 5.09 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 89 + HB3 ASN 88 OK 98 100 100 98 4.4-5.2 4.0/557=79, 3.0/11084=71...(6) HB3 GLU 89 + HB3 ASN 88 OK 98 100 100 98 3.6-5.2 4.0/557=79, 3.0/11084=71...(6) HB2 GLU 92 - HB3 ASN 88 far 0 77 0 - 5.9-6.7 HB3 GLU 87 - HB3 ASN 88 far 0 100 0 - 6.7-6.9 HB3 GLN 85 - HB3 ASN 88 far 0 100 0 - 9.3-10.7 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 = 0.97: QD1 ILE 3 + HB3 LYS 77 OK 96 100 100 96 2.0-3.8 2.1/11691=73...(5) QD1 ILE 3 + HB2 LYS 77 OK 33 100 40 84 3.4-5.0 ~11691=53, 11523/1.8=45 HD3 LYS 2 - HB3 LYS 77 far 0 96 0 - 7.5-10.7 HD3 LYS 2 - HB2 LYS 77 far 0 95 0 - 8.2-11.4 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 3 assignments used, quality = 1.00: QG2 VAL 104 + HB3 LEU 80 OK 100 100 100 100 1.9-2.1 11383/1.8=82...(16) QG2 VAL 117 - HB3 LEU 80 far 0 65 0 - 8.6-9.0 QD2 LEU 90 - HB3 LEU 80 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 11089 from cnoeabs.peaks (0.88, 1.44, 28.31 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 104 + HG LEU 80 OK 100 100 100 100 2.3-2.6 2.1/11090=77...(17) QD2 LEU 90 - HG LEU 80 far 0 100 0 - 7.3-7.9 QG2 VAL 117 - HG LEU 80 far 0 65 0 - 8.4-8.7 QG2 VAL 107 - HG LEU 80 far 0 77 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 11090 from cnoeabs.peaks (0.94, 1.44, 28.31 ppm; 3.50 A): 1 out of 7 assignments used, quality = 0.76: QG1 VAL 104 + HG LEU 80 OK 76 77 100 99 2.1-3.4 2.1/11089=59, ~11091=39...(18) HD3 LYS 2 - HG LEU 4 far 0 48 0 - 3.9-7.1 HG13 ILE 56 - HG LEU 4 far 0 54 0 - 6.1-6.9 HG3 LYS 53 - HG LEU 4 far 0 66 0 - 6.1-8.2 HG13 ILE 97 - HG LEU 80 far 0 61 0 - 6.6-7.2 QD2 LEU 127 - HG LEU 4 far 0 57 0 - 9.7-10.9 QD1 LEU 38 - HG LEU 4 far 0 42 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 11091 from cnoeabs.peaks (0.89, 0.78, 27.66 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.93: QG2 VAL 104 + QD2 LEU 80 OK 93 94 100 99 1.7-2.0 11089/2.1=43...(22) QD1 LEU 90 - QD2 LEU 80 far 0 92 0 - 5.3-5.8 QD2 LEU 90 - QD2 LEU 80 far 0 90 0 - 7.0-7.6 QD1 LEU 70 - QD2 LEU 80 far 0 84 0 - 8.8-9.3 QD2 LEU 38 - QD2 LEU 80 far 0 99 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 11092 from cnoeabs.peaks (0.88, 0.78, 25.50 ppm; 2.87 A): 0 out of 6 assignments used, quality = 0.00: QG2 VAL 104 - QD1 LEU 80 far 0 100 0 - 3.6-3.6 QG2 VAL 117 - QD1 LEU 80 far 0 65 0 - 6.6-7.0 QD2 LEU 90 - QD1 LEU 80 far 0 100 0 - 6.8-7.5 QG2 VAL 107 - QD1 LEU 80 far 0 77 0 - 8.4-8.8 QG1 VAL 32 - QD1 LEU 80 far 0 73 0 - 9.1-9.7 QD2 LEU 38 - QD1 LEU 80 far 0 98 0 - 9.3-10.0 Violated in 20 structures by 0.72 A. Peak 11093 from cnoeabs.peaks (1.61, 0.78, 27.66 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.90: HG LEU 82 + QD2 LEU 80 OK 75 94 100 79 3.4-3.5 ~11395=44, ~9964=33...(6) HG LEU 68 + QD2 LEU 80 OK 60 61 100 98 3.7-4.2 2.1/9922=81, ~9925=48...(10) HB2 LEU 82 - QD2 LEU 80 far 0 81 0 - 5.0-5.3 HD2 LYS 77 - QD2 LEU 80 far 0 70 0 - 8.8-10.4 HD3 LYS 77 - QD2 LEU 80 far 0 73 0 - 9.7-11.5 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: HB2 LYS 96 - QD2 LEU 80 far 0 65 0 - 6.3-7.4 HB ILE 71 - QD2 LEU 80 far 0 84 0 - 7.1-7.7 QE MET 67 - QD2 LEU 80 far 0 100 0 - 7.2-8.2 QE MET 42 - QD2 LEU 80 far 0 70 0 - 8.0-8.5 HB2 ARG 95 - QD2 LEU 80 far 0 81 0 - 8.2-8.8 HB ILE 7 - QD2 LEU 80 far 0 94 0 - 8.3-8.6 HG2 ARG 95 - QD2 LEU 80 far 0 97 0 - 8.3-9.0 HB2 LEU 63 - QD2 LEU 80 far 0 87 0 - 9.1-10.0 Violated in 20 structures by 0.67 A. Peak 11095 from cnoeabs.peaks (8.05, 2.12, 33.72 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.76: H ASP 109 + HG3 GLN 83 OK 76 77 100 99 4.5-5.3 3.6/10001=83...(6) H THR 9 - HG3 GLN 83 far 0 97 0 - 7.1-8.0 Violated in 0 structures by 0.00 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 1 assignment used, quality = 0.97: HA ILE 15 + QG2 THR 9 OK 97 100 100 98 3.1-3.6 2.9/9125=74, 3.9/9116=73...(6) 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 1 assignment used, quality = 1.00: HB2 ASN 11 + QG2 THR 9 OK 100 100 100 100 4.6-4.7 1074/9126=95...(9) 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 4.1-4.5 10026=100, 2.9/10020=93...(13) 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 = 0.99: HA LEU 82 + QD2 LEU 90 OK 97 97 100 100 5.1-5.8 3.0/9967=98, ~9968=74...(6) HA ARG 105 + QD2 LEU 90 OK 78 100 90 87 5.7-6.5 669/10279=87 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 6.2-6.2 8174/5834=98...(4) Violated in 19 structures by 0.01 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 4.4-4.9 8195/3.0=99, 8194/3.0=91...(8) HA LYS 96 - HG3 LYS 94 far 0 90 0 - 7.3-8.8 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 + HD3 LYS 94 OK 79 81 100 98 3.0-5.3 8195/3.6=66...(9) HA GLU 91 + HD2 LYS 94 OK 79 81 100 98 2.5-4.9 8195/3.6=66...(9) Violated in 0 structures by 0.00 A. Peak 11107 from cnoeabs.peaks (1.76, 0.68, 18.75 ppm; 4.04 A): 1 out of 3 assignments used, quality = 0.92: HB2 LEU 80 + QG2 ILE 97 OK 92 99 100 93 3.5-3.8 3.1/10133=70, ~9924=26...(9) HB2 LEU 68 - QG2 ILE 97 far 9 90 10 - 4.1-4.4 HG3 ARG 105 - QG2 ILE 97 far 0 98 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 11108 from cnoeabs.peaks (1.59, 0.68, 18.75 ppm; 5.67 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 68 + QG2 ILE 97 OK 100 100 100 100 4.3-4.6 2.1/11496=100, ~11641=74...(4) HG LEU 82 + QG2 ILE 97 OK 82 92 95 94 5.5-5.8 ~11397=67, ~11396=65...(5) HG3 LYS 96 - QG2 ILE 97 far 0 65 0 - 6.9-7.5 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 2 assignments used, quality = 0.70: H VAL 22 + HA VAL 22 OK 70 70 100 100 2.9-2.9 3.0=100 H GLN 122 - HA VAL 22 far 0 100 0 - 8.2-9.3 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 3.7-5.1 4571/11450=84...(20) QD PHE 120 - HA VAL 22 far 0 97 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (0.72, 0.64, 20.11 ppm; 2.95 A): 2 out of 9 assignments used, quality = 0.68: QG2 ILE 18 + QG1 VAL 22 OK 45 100 100 45 1.8-2.1 ~9186=14, 3.2/10857=11...(5) QG1 VAL 117 + QG1 VAL 22 OK 42 100 100 42 1.8-2.4 10601/10602=23...(5) QD2 LEU 55 - QG1 VAL 22 far 0 73 0 - 3.1-3.6 HG13 ILE 18 - QG1 VAL 22 far 0 94 0 - 3.9-4.6 QD1 ILE 57 - QG1 VAL 22 far 0 84 0 - 4.1-4.7 QD2 LEU 81 - QG1 VAL 22 far 0 81 0 - 5.4-6.0 QD2 LEU 6 - QG1 VAL 22 far 0 77 0 - 7.9-8.4 QD1 LEU 6 - QG1 VAL 22 far 0 99 0 - 8.2-8.6 QG2 VAL 78 - QG1 VAL 22 far 0 99 0 - 8.9-9.4 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 9 assignments used, quality = 0.86: QD2 LEU 55 + QG2 VAL 22 OK 76 100 80 95 2.7-3.6 2.1/11139=55, 11138=40...(11) QG2 ILE 18 + QG2 VAL 22 OK 42 65 95 68 2.0-3.2 3.7/10781=28...(7) QG1 VAL 117 - QG2 VAL 22 far 0 77 0 - 3.8-4.5 HG13 ILE 18 - QG2 VAL 22 far 0 97 0 - 5.1-6.0 QG2 ILE 7 - QG2 VAL 22 far 0 96 0 - 6.0-7.2 QG2 ILE 54 - QG2 VAL 22 far 0 92 0 - 6.6-7.0 QD2 LEU 6 - QG2 VAL 22 far 0 100 0 - 8.2-8.9 QG2 VAL 78 - QG2 VAL 22 far 0 90 0 - 9.4-10.1 QD2 LEU 45 - QG2 VAL 22 far 0 90 0 - 9.5-10.7 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 = 0.92: QG1 VAL 117 + HA VAL 22 OK 78 99 100 79 3.8-4.4 10601/10861=57...(5) QG2 ILE 18 + HA VAL 22 OK 62 100 80 78 4.5-5.0 11117/3.2=46, ~9186=33...(5) QG2 VAL 78 - HB2 SER 72 far 0 73 0 - 6.6-8.3 QG2 VAL 78 - HB3 SER 72 far 0 73 0 - 7.0-7.7 HG13 ILE 18 - HA VAL 22 far 0 84 0 - 7.2-7.7 QD1 ILE 57 - HA VAL 22 far 0 94 0 - 7.2-7.8 QD2 LEU 6 - HB3 SER 72 far 0 44 0 - 8.6-10.1 QD2 LEU 6 - HB2 SER 72 far 0 44 0 - 8.6-10.7 QD2 LEU 81 - HA VAL 22 far 0 92 0 - 8.7-9.2 QD1 LEU 6 - HB3 SER 72 far 0 82 0 - 9.5-10.5 QD1 LEU 6 - HB2 SER 72 far 0 82 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 11120 from cnoeabs.peaks (3.95, 2.21, 29.21 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.72: HA ILE 97 + HB2 GLN 100 OK 72 73 100 98 2.5-4.9 10894/3.0=53...(9) HA MET 67 - HB2 GLU 69 far 0 80 0 - 5.2-6.2 HA ILE 97 - HB2 GLU 69 far 0 55 0 - 8.2-10.1 Violated in 4 structures by 0.01 A. Peak 11121 from cnoeabs.peaks (3.95, 2.05, 29.21 ppm; 4.38 A increased from 3.90 A): 2 out of 4 assignments used, quality = 0.93: HA MET 67 + HB2 GLU 66 OK 74 89 100 83 4.0-4.5 ~411=53, ~7633=47...(4) HA ILE 97 + HB3 GLN 100 OK 73 87 85 99 3.2-4.8 11120/1.8=67, 10111=54...(10) HB3 SER 35 - HB2 GLU 66 far 0 89 0 - 5.7-7.1 HA ILE 97 - HB3 GLU 98 far 0 56 0 - 5.8-6.0 Violated in 0 structures by 0.00 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 98 3.7-5.1 3.0/10030=87...(4) Violated in 0 structures by 0.00 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 99 100 100 3.8-5.2 709/10402=92...(7) H VAL 117 - HB3 ASP 109 far 0 97 0 - 9.6-11.0 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 3.5-4.8 10441/3.0=91, ~11192=71...(9) Violated in 0 structures by 0.00 A. Peak 11125 from cnoeabs.peaks (8.04, 1.41, 18.60 ppm; 5.67 A): 1 out of 4 assignments used, quality = 0.99: H ASP 109 + QB ALA 113 OK 99 100 100 99 4.9-5.6 10355/11513=86...(9) H ARG 118 - QB ALA 113 far 0 92 0 - 6.6-7.0 H THR 9 - QB ALA 113 far 0 96 0 - 6.6-7.0 H VAL 22 - QB ALA 113 far 0 100 0 - 8.4-9.4 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 = 0.98: QD1 ILE 18 + HA LEU 114 OK 98 98 100 100 3.4-3.7 10524/10515=72...(10) QD1 ILE 5 - HA LEU 114 far 0 70 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 11127 from cnoeabs.peaks (2.08, 1.74, 40.94 ppm; 5.94 A increased from 5.28 A): 2 out of 7 assignments used, quality = 0.65: HB3 GLU 69 + HB2 LEU 68 OK 54 62 100 87 5.2-5.7 1455/4.6=79, ~11489=36 HB2 GLU 111 + HB2 LEU 114 OK 25 61 40 100 5.5-6.4 3.0/8238=97, ~8241=66...(9) HB3 GLU 66 - HB2 LEU 68 far 0 53 0 - 6.6-7.1 HB3 GLU 112 - HB2 LEU 114 far 0 100 0 - 6.8-7.2 HB2 GLU 112 - HB2 LEU 114 far 0 99 0 - 7.0-7.5 HG2 GLU 119 - HB2 LEU 114 far 0 99 0 - 8.1-9.0 HB2 GLU 13 - HB2 LEU 114 far 0 73 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11128 from cnoeabs.peaks (2.09, 1.40, 40.94 ppm; 4.60 A): 2 out of 7 assignments used, quality = 0.88: HG3 GLU 21 + HB3 LEU 114 OK 69 73 100 93 2.0-4.3 10450/6688=57...(6) HG2 GLU 21 + HB3 LEU 114 OK 63 65 100 96 3.1-4.1 ~10447=53, 3.0/11224=43...(7) HB2 GLU 111 - HB3 LEU 114 far 0 90 0 - 6.8-7.9 HB3 GLU 112 - HB3 LEU 114 far 0 99 0 - 8.2-8.5 HB2 GLU 112 - HB3 LEU 114 far 0 99 0 - 8.4-9.0 HG2 GLU 119 - HB3 LEU 114 far 0 87 0 - 8.6-9.5 HB3 MET 121 - HB3 LEU 114 far 0 90 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 11129 from cnoeabs.peaks (2.08, 1.65, 26.77 ppm; 4.80 A): 2 out of 10 assignments used, quality = 0.83: HB2 LYS 94 + HG LEU 90 OK 67 69 100 97 3.7-4.5 10977/2.1=73...(5) HB3 GLU 91 + HG LEU 90 OK 49 68 100 73 3.9-4.2 1600/570=56, ~11569=38 HB2 GLU 87 - HG LEU 90 far 0 41 0 - 5.7-6.0 HB3 GLU 112 - HG LEU 114 far 0 97 0 - 6.0-6.4 HB2 GLU 112 - HG LEU 114 far 0 96 0 - 6.4-7.1 HB3 GLU 66 - HG LEU 64 far 0 54 0 - 7.1-7.4 HB2 GLU 13 - HG LEU 114 far 0 87 0 - 7.4-8.4 HG2 GLU 119 - HG LEU 114 far 0 100 0 - 9.9-10.5 HB3 GLU 69 - HG LEU 64 far 0 67 0 - 9.9-10.4 HB2 LYS 94 - HG LEU 64 far 0 83 0 - 9.9-11.9 Violated in 0 structures by 0.00 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 2.7-6.0 1765/730=81, ~11193=77...(9) QD2 LEU 114 + HG3 LYS 115 OK 35 97 45 80 5.8-8.0 7886/1754=75, 11131/1.8=18 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 3 assignments used, quality = 0.79: QD1 ILE 116 + HG2 LYS 115 OK 65 65 100 100 2.1-5.2 2.1/11193=94, 4.7/729=84...(9) QD2 LEU 114 + HG2 LYS 115 OK 39 96 50 82 5.5-8.1 4.9/1753=79, 11130/1.8=12 QD1 ILE 71 - HG2 LYS 65 far 0 66 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 11132 from cnoeabs.peaks (0.68, 1.66, 29.55 ppm; 5.59 A increased from 4.48 A): 2 out of 6 assignments used, quality = 0.95: QD1 ILE 116 + HD2 LYS 115 OK 83 100 85 98 2.5-6.2 ~11193=54...(7) QD1 ILE 116 + HD3 LYS 115 OK 70 99 75 95 3.6-5.9 ~11193=54, 11130/2.9=45...(6) QG2 ILE 97 - HD2 LYS 65 far 5 97 5 - 5.6-7.8 QD2 LEU 114 - HD2 LYS 115 far 5 97 5 - 5.6-8.5 QD2 LEU 114 - HD3 LYS 115 far 5 96 5 - 5.4-9.2 QG2 ILE 97 - HD3 LYS 65 far 0 94 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 11133 from cnoeabs.peaks (1.96, 3.68, 60.85 ppm; 5.91 A increased from 5.56 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 29 + HA LYS 19 OK 100 100 100 100 5.4-5.9 2.1/11520=100...(7) HB3 GLU 21 - HA LYS 19 lone 1 65 95 2 5.6-7.3 Violated in 2 structures by 0.00 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 2.3-2.4 4.3=100 HA LEU 55 - HG12 ILE 3 far 0 94 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 11136 from cnoeabs.peaks (1.47, 0.74, 26.63 ppm; 3.56 A): 1 out of 8 assignments used, quality = 0.76: HG12 ILE 57 + QD2 LEU 55 OK 76 96 100 79 1.9-2.3 1.8/11138=53...(4) HG12 ILE 7 - QD2 LEU 55 far 0 94 0 - 5.0-5.6 HG3 ARG 30 - QD2 LEU 55 far 0 73 0 - 5.9-7.4 HB3 LEU 6 - QD2 LEU 55 far 0 92 0 - 6.6-7.1 HG LEU 4 - QD2 LEU 55 far 0 70 0 - 8.2-8.7 HD2 LYS 53 - QD2 LEU 55 far 0 87 0 - 8.6-10.5 HG3 ARG 118 - QD2 LEU 55 far 0 77 0 - 9.2-12.0 HG3 LYS 20 - QD2 LEU 55 far 0 96 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 11137 from cnoeabs.peaks (1.45, 0.68, 26.27 ppm; 2.91 A): 2 out of 17 assignments used, quality = 0.73: 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 95 2.2-2.3 3.1=84, 3.8/1034=24...(9) HB2 LEU 4 - QD2 LEU 4 far 0 42 0 - 3.2-3.2 HG12 ILE 57 - QD1 LEU 55 far 0 90 0 - 4.3-4.8 HG2 LYS 49 - QD2 LEU 4 far 0 48 0 - 4.7-12.6 HG12 ILE 7 - QD1 LEU 55 far 0 92 0 - 5.3-6.0 HG3 ARG 30 - QD2 LEU 4 far 0 55 0 - 5.5-7.5 HG3 LYS 49 - QD2 LEU 4 far 0 48 0 - 5.6-12.5 HB3 LEU 4 - QD1 LEU 55 far 0 87 0 - 6.4-7.0 HB2 LEU 74 - QD2 LEU 4 far 0 32 0 - 6.7-7.3 HG3 ARG 30 - QD1 LEU 55 far 0 100 0 - 6.9-9.0 HG3 LYS 44 - QD2 LEU 4 far 0 44 0 - 7.0-9.4 HB2 LEU 4 - QD1 LEU 55 far 0 87 0 - 7.2-7.8 HB3 LEU 6 - QD1 LEU 55 far 0 94 0 - 7.8-8.5 HG LEU 4 - QD1 LEU 55 far 0 100 0 - 8.2-8.9 HG12 ILE 57 - QD2 LEU 4 far 0 44 0 - 8.4-8.9 HB3 LEU 6 - QD2 LEU 4 far 0 48 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 11138 from cnoeabs.peaks (0.85, 0.74, 26.63 ppm; 2.92 A): 2 out of 11 assignments used, quality = 0.79: HG13 ILE 57 + QD2 LEU 55 OK 63 94 100 67 2.2-2.9 1.8/11136=49...(4) QG2 VAL 22 + QD2 LEU 55 OK 42 99 45 95 2.7-3.6 11139/2.1=56, 11118=53...(11) QG2 ILE 5 - QD2 LEU 55 far 0 94 0 - 3.2-3.9 QG2 ILE 57 - QD2 LEU 55 far 0 92 0 - 3.8-4.2 QG2 VAL 117 - QD2 LEU 55 far 0 77 0 - 4.4-5.1 QG2 ILE 15 - QD2 LEU 55 far 0 100 0 - 4.7-5.3 HG13 ILE 5 - QD2 LEU 55 far 0 99 0 - 5.0-5.5 QG2 THR 9 - QD2 LEU 55 far 0 84 0 - 5.5-5.9 QD1 LEU 14 - QD2 LEU 55 far 0 94 0 - 7.3-7.8 QG1 VAL 32 - QD2 LEU 55 far 0 70 0 - 8.1-8.6 QG2 VAL 107 - QD2 LEU 55 far 0 65 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 11139 from cnoeabs.peaks (0.84, 0.68, 26.27 ppm; 2.78 A): 1 out of 13 assignments used, quality = 0.62: QG2 VAL 22 + QD1 LEU 55 OK 62 84 100 74 1.9-2.2 11118/2.1=26...(10) QG2 ILE 5 - QD1 LEU 55 far 5 100 5 - 2.9-3.5 HG13 ILE 5 - QD1 LEU 55 far 0 99 0 - 3.3-4.2 HG13 ILE 57 - QD1 LEU 55 far 0 65 0 - 4.3-4.9 HG13 ILE 5 - QD2 LEU 4 far 0 53 0 - 5.3-5.7 QG2 ILE 57 - QD1 LEU 55 far 0 100 0 - 5.5-5.9 QG2 ILE 15 - QD1 LEU 55 far 0 98 0 - 6.0-6.7 QG2 ILE 5 - QD2 LEU 4 far 0 55 0 - 6.5-6.7 QD1 LEU 14 - QD1 LEU 55 far 0 65 0 - 7.6-7.9 QG2 VAL 22 - QD2 LEU 4 far 0 40 0 - 7.9-8.5 HG13 ILE 57 - QD2 LEU 4 far 0 29 0 - 9.2-10.0 QG2 ILE 57 - QD2 LEU 4 far 0 55 0 - 9.3-9.9 QD2 LEU 82 - QD1 LEU 55 far 0 73 0 - 9.9-10.6 Violated in 0 structures by 0.00 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 2.5-4.1 5.0=100 H ILE 3 - HG LEU 55 far 0 89 0 - 9.3-10.2 H VAL 32 - HG LEU 55 far 0 94 0 - 9.7-10.6 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 2.7-3.3 335=98, 337/2.1=98...(5) 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 0 97 0 - 4.5-7.1 QG2 THR 108 - HG13 ILE 116 far 0 70 0 - 7.3-8.5 HG13 ILE 7 - HG13 ILE 116 far 0 60 0 - 8.4-9.4 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 - 8.8-12.2 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 2.4-3.0 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 - HD3 LYS 53 far 9 90 10 - 3.2-5.9 QD1 ILE 3 - HD2 LYS 2 far 0 99 0 - 6.4-8.9 HG13 ILE 56 - HD2 LYS 2 far 0 73 0 - 7.7-9.8 HD3 LYS 2 - HD3 LYS 53 far 0 70 0 - 8.2-11.4 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 - 8.0-11.7 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 3 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 0 86 0 - 9.0-12.3 HG3 MET 42 - HD2 LYS 2 far 0 99 0 - 9.0-11.4 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 2 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 - 7.6-12.6 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 lone 0 97 35 1 3.2-6.0 HD3 LYS 53 - HE2 LYS 2 far 0 87 0 - 9.0-12.3 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 0 92 0 - 7.7-9.8 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 6 assignments used, quality = 0.99: HD2 LYS 2 + HE3 LYS 2 OK 99 99 100 100 2.3-3.0 3.0=100 HG12 ILE 54 - HE3 LYS 2 lone 0 97 35 1 3.4-7.1 HG3 LYS 61 - HB2 ASN 8 far 0 80 0 - 5.4-9.5 HG13 ILE 7 - HB2 ASN 8 far 0 79 0 - 6.9-7.6 HD3 LYS 53 - HE3 LYS 2 far 0 87 0 - 8.0-11.7 QG2 THR 108 - HB2 ASN 8 far 0 72 0 - 9.8-10.5 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 2.4-3.0 3.0=100 HG13 ILE 56 - HE3 LYS 2 far 0 89 0 - 7.0-11.8 QD1 ILE 3 - HE3 LYS 2 far 0 100 0 - 7.3-9.4 QD1 LEU 38 - HB2 ASN 8 far 0 74 0 - 9.1-9.6 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 2 assignments used, quality = 0.97: HG3 LYS 2 + HE3 LYS 2 OK 97 97 100 100 2.7-4.2 3.9=100 HG2 LYS 61 - HB2 ASN 8 far 0 60 0 - 5.7-9.5 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 2 assignments used, quality = 1.00: HE2 LYS 2 + HG2 LYS 2 OK 100 100 100 100 2.4-4.2 3.9=100 HG3 MET 42 - HG2 LYS 2 far 0 100 0 - 10.0-13.3 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 1 assignment used, quality = 0.98: HE2 LYS 2 + HG3 LYS 2 OK 98 98 100 100 2.9-4.2 3.9=100 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 2.7-4.2 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 99 100 100 3.5-5.1 10166=98, 10151/10135=47 Violated in 0 structures by 0.00 A. Peak 11183 from cnoeabs.peaks (0.89, 2.95, 41.78 ppm; 4.12 A increased from 3.88 A): 2 out of 11 assignments used, quality = 0.86: QD2 LEU 90 + HE2 LYS 106 OK 71 94 85 89 2.0-4.5 10286/3.6=41...(9) QD2 LEU 90 + HE3 LYS 106 OK 51 94 60 91 2.0-4.7 10286/3.6=41...(9) QD1 LEU 90 - HE3 LYS 106 far 13 87 15 - 3.5-5.5 QD1 LEU 90 - HE2 LYS 106 far 13 87 15 - 4.0-5.5 QG2 VAL 29 - HE2 LYS 20 far 0 75 0 - 6.0-8.4 QG2 VAL 29 - HE3 LYS 20 far 0 75 0 - 6.0-9.3 QD2 LEU 38 - HE3 LYS 40 far 0 68 0 - 7.0-9.6 QG2 VAL 104 - HE3 LYS 106 far 0 97 0 - 7.2-9.5 QG2 VAL 104 - HE2 LYS 106 far 0 97 0 - 7.2-9.1 QD2 LEU 70 - HE3 LYS 40 far 0 53 0 - 7.9-11.9 QD1 LEU 70 - HE3 LYS 40 far 0 45 0 - 8.0-11.0 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 4.0-5.1 11186/2.1=87...(13) HB2 LEU 82 - QG2 VAL 107 far 0 97 0 - 7.2-7.5 HG LEU 82 - QG2 VAL 107 far 0 73 0 - 8.7-8.9 Violated in 1 structures by 0.00 A. Peak 11186 from cnoeabs.peaks (1.62, 0.76, 21.72 ppm; 4.44 A increased from 3.95 A): 1 out of 2 assignments used, quality = 0.86: HB ILE 116 + QG1 VAL 107 OK 86 87 100 99 4.0-4.4 11185/2.1=59...(12) HB2 LEU 82 - QG1 VAL 107 far 0 100 0 - 4.7-5.1 Violated in 2 structures by 0.00 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 3.7-4.5 2.1/11186=100, ~11417=78...(13) 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 = 0.64: HG2 GLN 83 + HB THR 108 OK 64 65 100 98 4.9-5.5 1.8/11190=85, ~10001=70...(4) HG2 GLU 112 - HB THR 108 far 0 70 0 - 6.9-8.8 HG3 GLU 112 - HB THR 108 far 0 73 0 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 11189 from cnoeabs.peaks (0.87, 4.22, 69.97 ppm; 5.55 A increased from 5.22 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 107 + HB THR 108 OK 99 99 100 100 4.9-5.4 10354/693=87...(6) QD2 LEU 90 - HB THR 108 far 14 92 15 - 5.2-6.3 QD1 LEU 14 - HB THR 108 far 0 84 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 11190 from cnoeabs.peaks (2.12, 4.22, 69.97 ppm; 6.15 A): 1 out of 2 assignments used, quality = 0.99: HG3 GLN 83 + HB THR 108 OK 99 99 100 100 6.0-6.2 10001/3.0=87...(5) HB VAL 107 - HB THR 108 far 0 99 0 - 7.5-7.7 Violated in 7 structures by 0.01 A. Peak 11191 from cnoeabs.peaks (7.20, 2.74, 38.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.90: HE22 GLN 83 + HB3 ASN 11 OK 72 100 100 72 2.6-5.1 10016/9148=29...(5) HE21 GLN 83 + HB3 ASN 11 OK 64 100 100 64 4.1-6.1 10016/9148=29, ~10759=28...(4) Violated in 0 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 98 2.2-2.8 2.1/10441=66...(7) HD2 LYS 115 - HA GLU 111 far 0 94 0 - 4.5-8.5 HD3 LYS 115 - HA GLU 111 far 0 87 0 - 5.6-8.7 HB ILE 116 - HA GLU 111 far 0 70 0 - 8.6-9.1 Violated in 0 structures by 0.00 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 4.5-5.3 1764/729=71...(7) Violated in 0 structures by 0.00 A. Peak 11194 from cnoeabs.peaks (3.79, 0.97, 28.89 ppm; 6.18 A): 2 out of 2 assignments used, quality = 0.97: HA ALA 113 + HG13 ILE 116 OK 94 94 100 100 2.2-3.8 10475/2.1=97, 10413=89...(13) HA LYS 115 + HG13 ILE 116 OK 52 94 55 100 5.3-7.1 3.6/1764=97...(7) Violated in 0 structures by 0.00 A. Peak 11195 from cnoeabs.peaks (0.76, 3.26, 67.50 ppm; 3.92 A increased from 3.69 A): 1 out of 4 assignments used, quality = 0.86: QD1 ILE 7 + HA VAL 117 OK 86 92 100 93 3.4-3.9 11584/3.2=65...(6) QG2 ILE 7 - HA VAL 117 far 0 84 0 - 5.5-6.0 QG1 VAL 107 - HA VAL 117 far 0 98 0 - 7.2-7.5 QD1 LEU 80 - HA VAL 117 far 0 65 0 - 8.4-8.7 Violated in 1 structures by 0.00 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 2.2-4.0 3.9=100 H GLU 21 - HG3 ARG 118 far 0 100 0 - 6.7-11.5 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 2.3-4.0 3.9=100 H GLU 21 - HG2 ARG 118 far 0 100 0 - 7.0-11.2 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 2.2-4.7 3.6/6855=96, 4.6/1775=91...(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 4.8-5.4 10490/3.0=72, ~8271=67...(12) QG2 ILE 116 + HB2 GLU 119 OK 92 92 100 100 3.4-5.0 3.2/8271=90...(9) 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 = 0.97: QD1 ILE 116 + HG2 GLU 119 OK 97 99 100 98 3.9-4.5 11201/6928=78...(5) QD1 LEU 55 - HG2 GLU 119 far 0 100 0 - 8.6-10.6 QD2 LEU 114 - HG2 GLU 119 far 0 77 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 11201 from cnoeabs.peaks (0.69, 2.11, 28.96 ppm; 4.68 A increased from 4.40 A): 1 out of 7 assignments used, quality = 0.85: QD1 ILE 116 + HB2 GLU 119 OK 85 90 100 95 4.3-4.7 4.1/8271=64...(5) QD1 ILE 116 - HB3 GLU 119 far 0 92 0 - 5.3-5.7 QD2 LEU 81 - HB2 GLU 119 far 0 71 0 - 6.0-7.3 QD2 LEU 81 - HB3 GLU 119 far 0 73 0 - 7.4-8.0 QD2 LEU 114 - HB2 GLU 119 far 0 56 0 - 9.3-10.1 QD1 LEU 55 - HB2 GLU 119 far 0 97 0 - 9.3-10.3 QG2 ILE 97 - HB3 GLU 92 far 0 86 0 - 9.8-10.8 Violated in 0 structures by 0.00 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): 2 out of 2 assignments used, quality = 0.84: HE2 LYS 123 + HG3 GLU 119 OK 65 96 95 72 4.2-6.5 ~11213=33, 11213/3.0=28...(5) HE3 LYS 123 + HG3 GLU 119 OK 55 87 100 64 4.5-6.3 11213/3.0=33, ~11213=28...(4) Violated in 0 structures by 0.00 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 3.4-4.8 3.7/7084=96, 3.7/7130=95...(8) 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 3.3-4.7 3.7/7093=100, 1814=99...(10) 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 2.7-3.9 4652/1.8=98, 4653=86...(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 4.6-5.8 2.2/11207=97, ~4652=93...(7) Violated in 0 structures by 0.00 A. Peak 11209 from cnoeabs.peaks (6.78, 1.75, 29.29 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.84: QD PHE 120 + HD3 LYS 123 OK 84 84 100 100 2.8-4.1 3.7/7128=91...(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 2.9-3.9 4652=100, 4653/1.8=90...(6) 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 1 assignment used, quality = 0.96: HZ PHE 79 + HD2 LYS 123 OK 96 96 100 100 4.4-5.3 2.2/4652=100, ~4653=90...(6) 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 70 100 100 2.1-4.1 3.7/11470=86...(5) Violated in 0 structures by 0.00 A. Peak 11213 from cnoeabs.peaks (2.11, 3.01, 41.78 ppm; 4.17 A): 2 out of 12 assignments used, quality = 0.48: HB3 GLU 119 + HE3 LYS 123 OK 30 97 100 31 2.4-4.2 ~11203=13, 3.0/11203=11...(5) HB3 GLU 119 + HE2 LYS 123 OK 26 94 90 30 2.1-4.8 3.0/11203=13, ~11203=11...(5) HB2 GLU 119 - HE2 LYS 123 poor 17 89 65 30 3.2-6.5 3.0/11203=13, ~11203=11...(5) HB3 GLU 47 - HE2 LYS 49 far 5 95 5 - 3.4-13.2 HB2 GLU 119 - HE3 LYS 123 far 5 92 5 - 3.9-5.7 HB2 GLU 91 - HE2 LYS 94 far 2 47 5 - 4.3-6.9 HB3 GLU 47 - HE3 LYS 49 far 0 95 0 - 5.0-12.6 HG2 GLU 52 - HE2 LYS 49 far 0 90 0 - 7.2-16.8 HB2 GLU 87 - HE2 LYS 94 far 0 63 0 - 7.4-10.2 HG2 GLU 52 - HE3 LYS 49 far 0 90 0 - 7.7-17.1 HB3 GLU 92 - HE2 LYS 94 far 0 83 0 - 7.9-10.5 HB VAL 107 - HE2 LYS 94 far 0 73 0 - 9.1-12.7 Violated in 0 structures by 0.00 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 1.9-3.5 1.8/11215=89, 11282=82...(12) HG3 MET 1 - QD1 LEU 127 far 3 70 5 - 5.2-10.2 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 3 assignments used, quality = 0.94: HE2 LYS 77 + QD1 LEU 127 OK 94 94 100 100 1.9-4.6 1.8/11214=71, 11283=61...(13) HB3 TYR 76 - QD1 LEU 127 far 0 81 0 - 5.7-7.5 HB3 GLN 25 - QD1 LEU 127 far 0 61 0 - 10.0-11.8 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 3 assignments used, quality = 0.50: HD3 LYS 16 + HG2 GLU 13 OK 50 87 100 58 2.9-4.5 3699/2625=55, ~6007=7 HD2 LYS 16 - HG2 GLU 13 far 5 94 5 - 4.3-5.9 HD2 LYS 17 - HG2 GLU 13 far 0 99 0 - 4.6-6.3 Violated in 1 structures by 0.00 A. Peak 11217 from cnoeabs.peaks (1.60, 3.84, 60.17 ppm; 3.75 A increased from 3.53 A): 3 out of 3 assignments used, quality = 0.98: HD3 LYS 19 + HA LYS 16 OK 79 99 90 89 1.9-4.0 3.6/7991=55, 3.6/7989=45...(5) HD2 LYS 19 + HA LYS 16 OK 75 99 85 89 1.9-4.6 3.6/7991=55, 3.6/7989=45...(5) HG3 LYS 19 + HA LYS 16 OK 67 100 70 96 2.7-4.0 3.0/7991=65, 3.0/7989=52...(6) 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 9 assignments used, quality = 0.68: QD1 LEU 114 + HE3 LYS 17 OK 68 99 100 69 1.9-2.6 ~10919=34, ~11514=30...(4) QD1 LEU 114 - HE2 LYS 115 far 0 84 0 - 5.1-9.6 QD1 LEU 114 - HE3 LYS 115 far 0 84 0 - 5.1-9.8 QD1 LEU 114 - HE3 LYS 16 far 0 80 0 - 6.3-9.8 QD1 LEU 114 - HE2 LYS 16 far 0 80 0 - 7.0-10.0 QD1 LEU 81 - HE3 LYS 115 far 0 72 0 - 7.9-10.4 QD1 LEU 81 - HE2 LYS 115 far 0 72 0 - 8.0-10.7 QG1 VAL 29 - HE3 LYS 16 far 0 83 0 - 8.3-10.8 QG1 VAL 29 - HE2 LYS 16 far 0 83 0 - 9.4-11.0 Violated in 0 structures by 0.00 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 + HD3 LYS 19 OK 97 99 100 98 1.9-4.0 7991/3.6=74, 7989/3.6=62...(6) HA LYS 16 + HD2 LYS 19 OK 97 99 100 98 1.9-4.6 7991/3.6=74, 7989/3.6=62...(6) 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 2.9-4.2 3.9=100 HG13 ILE 71 - HE2 LYS 2 far 0 73 0 - 6.1-9.9 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 3 assignments used, quality = 0.95: HG LEU 45 + HE2 LYS 2 OK 95 96 100 99 4.3-6.2 ~9437=84, 2.1/11504=57...(6) QE MET 42 - HE2 LYS 2 poor 18 96 40 46 4.8-7.8 9431/9439=28, 9409/4607=23 QE MET 67 - HE2 LYS 2 far 0 98 0 - 9.5-12.1 Violated in 2 structures by 0.00 A. Peak 11224 from cnoeabs.peaks (1.40, 1.97, 29.43 ppm; 5.89 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 114 + HB3 GLU 21 OK 99 100 100 99 3.4-4.0 3.1/10446=65, ~10447=63...(7) QB ALA 113 - HB3 GLU 21 far 0 90 0 - 6.6-7.6 HG3 LYS 16 - HB3 GLU 21 far 0 100 0 - 8.8-11.1 Violated in 0 structures by 0.00 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 2.2-5.2 1.8/11226=96...(3) Violated in 0 structures by 0.00 A. Peak 11226 from cnoeabs.peaks (1.13, 4.43, 58.05 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.89: HB3 LYS 53 + HA TYR 27 OK 89 100 100 90 2.5-4.2 9465=64, 1.8/11225=55 Violated in 0 structures by 0.00 A. Peak 11227 from cnoeabs.peaks (0.74, 1.98, 29.83 ppm; 4.48 A): 2 out of 6 assignments used, quality = 0.76: QD2 LEU 55 + HB VAL 22 OK 70 100 70 100 4.1-4.9 ~11139=71, 2.1/11246=69...(9) QG1 VAL 117 + HB VAL 22 OK 20 70 100 29 3.8-4.5 11117/2.1=19...(3) HG13 ILE 18 - HB VAL 22 far 0 94 0 - 7.1-8.0 QG2 ILE 54 - HB VAL 22 far 0 96 0 - 7.8-8.3 QG2 ILE 7 - HB VAL 22 far 0 98 0 - 7.9-8.8 QD2 LEU 6 - HB VAL 22 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11229 from cnoeabs.peaks (2.90, 2.73, 36.55 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.68: HB2 ASP 34 + HG3 GLU 37 OK 68 87 100 78 2.0-4.5 4.0/9355=52...(4) HB2 ASN 33 - HG3 GLU 37 far 0 84 0 - 6.0-7.0 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 5 assignments used, quality = 0.97: QE MET 67 + HA LEU 38 OK 97 97 100 100 2.7-3.4 10929/9288=78...(6) HB2 LEU 63 - HA LEU 38 far 0 73 0 - 6.8-7.4 HG LEU 45 - HA LEU 38 far 0 99 0 - 7.6-8.5 HB3 LYS 43 - HA LEU 38 far 0 81 0 - 9.6-10.3 HB2 LEU 45 - HA LEU 38 far 0 70 0 - 9.6-10.5 Violated in 0 structures by 0.00 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 3.8-4.4 9704/2.1=85, ~9711=69...(8) HB2 GLU 69 - HG LEU 38 far 0 87 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 11232 from cnoeabs.peaks (1.88, 1.46, 41.07 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.98: QE MET 67 + HB3 LEU 38 OK 98 100 100 98 2.1-3.1 9723/3.1=69...(12) HB2 LEU 63 - HB3 LEU 38 far 0 97 0 - 4.8-5.3 QE MET 42 - HB3 LEU 38 far 0 87 0 - 5.7-6.9 HG LEU 45 - HB3 LEU 38 far 0 99 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 11233 from cnoeabs.peaks (4.51, 2.98, 41.78 ppm; 6.20 A): 2 out of 6 assignments used, quality = 1.00: HA ASP 36 + HE3 LYS 39 OK 93 94 100 100 2.7-5.9 8038/5.0=73, 9346/1.8=60...(9) HA ASP 36 + HE2 LYS 39 OK 93 93 100 99 2.1-4.9 8038/5.0=73...(9) HA ASP 36 - HE2 LYS 40 poor 16 59 65 42 4.2-8.7 2041/7.5=41 HA ASP 36 - HE3 LYS 40 poor 9 49 45 42 5.3-8.1 2041/7.5=41 HA ASP 36 - HE3 LYS 43 far 0 87 0 - 7.0-10.6 HA ASP 36 - HE2 LYS 43 far 0 94 0 - 8.0-11.3 Violated in 0 structures by 0.00 A. Peak 11235 from cnoeabs.peaks (1.25, 0.64, 25.46 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.87: HD2 LYS 2 + QD1 LEU 4 OK 87 98 100 88 3.0-4.5 9469=73, 11557/2.1=35...(4) HG12 ILE 54 - QD1 LEU 4 far 0 98 0 - 4.6-5.4 HD3 LYS 53 - QD1 LEU 4 far 0 84 0 - 8.0-9.5 HG13 ILE 7 - QD1 LEU 4 far 0 100 0 - 9.0-9.3 Violated in 2 structures by 0.00 A. Peak 11236 from cnoeabs.peaks (0.67, 1.95, 28.25 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 56 + HB3 GLU 41 OK 91 98 100 93 2.6-3.9 9402/3.0=76...(5) QD1 ILE 56 + HB2 GLU 41 OK 89 98 100 91 3.1-4.8 9402/3.0=76...(4) QD2 LEU 4 - HB3 GLU 41 far 0 90 0 - 6.3-7.5 QD1 ILE 71 - HB2 GLU 41 far 0 84 0 - 7.2-9.8 QD1 ILE 71 - HB3 GLU 41 far 0 84 0 - 7.3-9.1 QD2 LEU 4 - HB2 GLU 41 far 0 89 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 11237 from cnoeabs.peaks (1.92, 2.50, 36.27 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.46: HB2 LYS 43 + HG3 GLU 47 OK 46 81 100 57 4.2-4.8 ~11238=57 HB3 LYS 44 - HG3 GLU 47 far 0 77 0 - 5.5-6.6 HB2 LYS 44 - HG3 GLU 47 far 0 92 0 - 5.7-6.8 HB2 LEU 45 - HG3 GLU 47 far 0 70 0 - 6.7-7.2 HB2 LYS 39 - HG3 GLU 47 far 0 84 0 - 8.7-10.3 Violated in 1 structures by 0.00 A. Peak 11238 from cnoeabs.peaks (1.90, 2.29, 36.27 ppm; 4.89 A increased from 4.12 A): 1 out of 7 assignments used, quality = 0.66: HB3 LYS 43 + HG2 GLU 47 OK 66 99 100 66 3.0-4.7 ~11237=63, 9462/1306=6 HB2 LYS 43 - HG2 GLU 47 far 5 92 5 - 3.8-6.4 HB3 LYS 44 - HG2 GLU 47 far 0 94 0 - 5.7-7.4 HB2 LYS 49 - HG2 GLU 47 far 0 100 0 - 5.9-11.9 HB2 LYS 44 - HG2 GLU 47 far 0 81 0 - 6.0-7.9 HB2 LEU 45 - HG2 GLU 47 far 0 97 0 - 7.5-8.3 HG LEU 45 - HG2 GLU 47 far 0 77 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 11239 from cnoeabs.peaks (1.55, 2.50, 36.27 ppm; 4.29 A increased from 4.04 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 46 + HG3 GLU 47 OK 99 100 100 99 3.5-4.2 9457=88, 280/1307=70 Violated in 0 structures by 0.00 A. Peak 11240 from cnoeabs.peaks (1.55, 2.29, 36.27 ppm; 4.71 A increased from 4.18 A): 1 out of 9 assignments used, quality = 1.00: QB ALA 46 + HG2 GLU 47 OK 100 100 100 100 4.4-4.7 9458=100, 9457/1.8=89 HD2 LYS 106 - HG2 GLU 87 poor 13 48 55 49 4.0-6.7 11300/5714=40, ~11300=13 HD3 LYS 106 - HG2 GLU 87 far 0 45 0 - 5.2-6.9 HG2 LYS 115 - HG2 GLU 111 far 0 38 0 - 5.5-10.3 HD2 LYS 106 - HG3 GLU 87 far 0 48 0 - 5.5-8.0 HD3 LYS 106 - HG3 GLU 87 far 0 45 0 - 6.6-8.3 HD3 LYS 94 - HG2 GLU 87 far 0 57 0 - 7.5-11.5 HD3 LYS 94 - HG3 GLU 87 far 0 57 0 - 8.9-12.8 HD2 LYS 94 - HG2 GLU 87 far 0 57 0 - 8.9-11.3 Violated in 1 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 3.2-3.8 2.2/4596=97, 4586=96...(13) QD PHE 120 + HG13 ILE 5 OK 97 97 100 100 5.7-6.3 9049/3.2=94, 4709/2.1=94...(14) QD TYR 27 - HG13 ILE 57 far 0 65 0 - 7.7-9.3 QD PHE 120 - HG13 ILE 57 far 0 63 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 11243 from cnoeabs.peaks (1.80, 1.09, 24.59 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: HB ILE 3 + HG2 LYS 53 OK 99 100 100 99 2.0-5.8 9001/4.1=81...(7) HG12 ILE 5 - HG2 LYS 53 far 10 100 10 - 6.3-9.5 Violated in 0 structures by 0.00 A. Peak 11244 from cnoeabs.peaks (1.82, 0.94, 24.59 ppm; 4.39 A): 1 out of 5 assignments used, quality = 0.46: HB ILE 3 + HG3 LYS 53 OK 46 65 100 70 2.0-4.3 10802/319=30...(5) HG12 ILE 5 - HG3 LYS 53 far 0 70 0 - 6.5-9.0 HB3 LYS 77 - HG3 LYS 53 far 0 70 0 - 7.3-10.4 QE MET 121 - HG3 LYS 53 far 0 98 0 - 7.7-9.4 HB2 LYS 77 - HG3 LYS 53 far 0 61 0 - 8.1-12.1 Violated in 0 structures by 0.00 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 4.1-4.9 ~11139=91, 11246/2.1=89...(9) HB3 GLU 21 - QD2 LEU 55 far 0 84 0 - 6.9-8.9 HB2 LYS 17 - QD2 LEU 55 far 0 97 0 - 9.0-9.6 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 4 assignments used, quality = 1.00: HB VAL 22 + QD1 LEU 55 OK 100 100 100 100 2.0-2.6 2.1/11139=100...(10) HB3 GLU 21 - QD1 LEU 55 far 0 96 0 - 5.6-7.2 HB VAL 22 - QD2 LEU 4 far 0 55 0 - 8.7-9.4 HB2 LYS 17 - QD1 LEU 55 far 0 87 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 11247 from cnoeabs.peaks (0.84, 1.57, 27.37 ppm; 3.59 A increased from 3.38 A): 1 out of 9 assignments used, quality = 0.83: QG2 ILE 5 + HG LEU 55 OK 83 100 100 83 3.2-3.4 ~10939=39, ~10938=38...(6) HG13 ILE 5 - HG LEU 55 far 10 99 10 - 3.7-4.2 QG2 VAL 22 - HG LEU 55 far 0 87 0 - 4.3-4.9 HG13 ILE 57 - HG LEU 55 far 0 70 0 - 4.6-5.5 QG2 ILE 57 - HG LEU 55 far 0 100 0 - 6.3-6.9 HG13 ILE 5 - HG12 ILE 3 far 0 96 0 - 6.8-7.9 QG2 ILE 15 - HG LEU 55 far 0 99 0 - 7.7-8.3 QG2 ILE 5 - HG12 ILE 3 far 0 97 0 - 8.2-9.4 QD1 LEU 14 - HG LEU 55 far 0 70 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 11249 from cnoeabs.peaks (1.97, 0.66, 12.57 ppm; 5.84 A): 2 out of 7 assignments used, quality = 0.87: HB2 GLU 41 + QD1 ILE 56 OK 65 73 100 88 3.1-4.8 3.0/9402=75...(4) HB3 GLU 41 + QD1 ILE 56 OK 62 70 100 89 2.6-3.9 3.0/9402=75...(5) HB3 MET 42 - QD1 ILE 56 far 0 73 0 - 6.1-6.9 HB VAL 29 - QD1 ILE 56 far 0 84 0 - 7.1-7.7 HB3 GLU 52 - QD1 ILE 56 far 0 81 0 - 8.1-9.1 HB3 LYS 39 - QD1 ILE 56 far 0 65 0 - 8.6-9.8 HB VAL 22 - QD1 ILE 56 far 0 65 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 11250 from cnoeabs.peaks (3.77, 0.69, 17.09 ppm; 5.67 A): 1 out of 2 assignments used, quality = 0.92: HB2 SER 58 + QG2 ILE 56 OK 92 92 100 100 3.6-4.1 1.8/11251=98...(5) HA LEU 68 - QG2 ILE 56 far 0 94 0 - 6.8-7.8 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 = 0.95: HB3 SER 58 + QG2 ILE 56 OK 95 98 100 97 3.5-3.8 3.0/9608=54...(6) Violated in 0 structures by 0.00 A. Peak 11252 from cnoeabs.peaks (0.88, 4.13, 56.64 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 38 + HA LEU 63 OK 97 97 100 100 3.6-4.0 11527=94, 10988/4738=55...(13) QG1 VAL 32 - HA LEU 63 far 0 77 0 - 4.5-4.9 Violated in 1 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 2.0-2.6 2.1/11252=92, 10997=90...(10) HG13 ILE 56 - HA LEU 63 far 0 94 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 11254 from cnoeabs.peaks (0.88, 1.62, 26.77 ppm; 3.09 A): 0 out of 2 assignments used, quality = 0.00: QG1 VAL 32 - HG LEU 63 far 0 92 0 - 3.8-4.4 QD2 LEU 38 - HG LEU 63 far 0 87 0 - 5.2-5.7 Violated in 20 structures by 0.99 A. Peak 11255 from cnoeabs.peaks (4.97, 0.71, 22.93 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.97: HA ASN 33 + QD2 LEU 63 OK 97 97 100 100 4.7-5.0 11256/2.1=97...(3) Violated in 0 structures by 0.00 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 2.4-2.7 9308=100, 3.6/9320=63...(4) HA ASN 33 - QD2 LEU 6 far 0 83 0 - 8.5-9.3 HA ASN 10 - QD1 LEU 63 far 0 96 0 - 8.9-9.6 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): 1 out of 3 assignments used, quality = 0.77: QG1 VAL 32 + HB2 LEU 63 OK 77 77 100 100 4.0-4.8 11260/1.8=97...(5) QD2 LEU 38 - HB2 LEU 63 far 0 97 0 - 5.8-6.3 QG2 THR 9 - HB2 LEU 63 far 0 61 0 - 8.8-9.5 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 3.9-4.5 10987/3.1=88...(10) HG13 ILE 56 - HB2 LEU 63 far 0 84 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 11260 from cnoeabs.peaks (0.89, 1.43, 40.89 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.50: QG1 VAL 32 + HB3 LEU 63 OK 50 61 100 81 2.9-3.8 11258/1.8=44, ~11488=31...(5) QD2 LEU 38 - HB3 LEU 63 far 0 100 0 - 4.6-5.4 QD2 LEU 70 - HB3 LEU 63 far 0 70 0 - 8.9-9.5 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 2.5-3.3 10987/3.1=80...(11) HG13 ILE 56 - HB3 LEU 63 far 0 99 0 - 7.9-8.7 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 96 100 100 3.3-3.9 9324/2.1=89, 3.0/7614=66...(8) HA ASN 59 - QD2 LEU 63 far 0 100 0 - 7.9-8.4 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 99 100 100 100 2.8-3.1 9324=88, 3.0/9320=61...(8) HA ASN 59 - QD1 LEU 63 far 0 99 0 - 5.7-6.4 HA ASN 59 - QD2 LEU 6 far 0 81 0 - 7.3-8.4 HA LYS 53 - QD2 LEU 6 far 0 51 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11264 from cnoeabs.peaks (8.88, 0.74, 25.21 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.73: H SER 35 + QD1 LEU 63 OK 73 73 100 100 3.8-4.1 3.6/11263=81...(10) H LYS 61 - QD1 LEU 63 far 0 61 0 - 5.9-6.6 H LYS 61 - QD2 LEU 6 far 0 45 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 11265 from cnoeabs.peaks (8.80, 0.74, 25.21 ppm; 6.20 A): 3 out of 6 assignments used, quality = 1.00: H ASN 59 + QD1 LEU 63 OK 98 98 100 100 3.3-4.4 9613=97, 356/9649=93...(6) H SER 58 + QD1 LEU 63 OK 85 92 100 92 5.6-6.0 4.6/9613=78...(3) H SER 58 + QD2 LEU 6 OK 30 72 100 42 3.7-4.8 351/2.1=24, 4.0/11546=21 H ILE 54 - QD1 LEU 45 lone 1 35 95 2 5.1-6.4 H ASN 59 - QD2 LEU 6 far 0 79 0 - 6.7-7.8 H ILE 54 - QD2 LEU 6 far 0 82 0 - 8.1-8.8 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 3.1-3.8 9599/3.1=80, 9598/1.8=57...(8) HA LYS 65 + HB2 LEU 64 OK 61 61 100 100 5.5-5.5 ~394=79, ~395=58...(14) HA LEU 68 - HB2 LEU 64 far 0 99 0 - 7.6-8.1 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; 6.08 A increased from 5.72 A): 1 out of 1 assignment used, quality = 0.57: HG SER 58 + QD2 LEU 64 OK 57 61 100 92 5.2-6.1 ~9599=71, ~9598=37...(5) Violated in 1 structures by 0.00 A. Peak 11269 from cnoeabs.peaks (0.38, 0.81, 24.93 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.43: QD1 ILE 97 + QD1 LEU 64 OK 43 70 100 62 2.8-3.4 11270/2.1=31...(5) QD2 LEU 68 - QD1 LEU 64 far 15 99 15 - 3.5-3.8 Violated in 0 structures by 0.00 A. Peak 11270 from cnoeabs.peaks (0.37, 0.78, 24.57 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 97 + QD2 LEU 64 OK 90 96 100 95 1.8-2.1 11269/2.1=66...(8) QD2 LEU 68 + QD2 LEU 64 OK 63 84 80 94 3.3-4.0 11073/2.1=50, ~11072=41...(10) 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 3 assignments used, quality = 0.98: HG LEU 68 + HB2 MET 67 OK 98 98 100 100 4.5-5.2 1449/416=95...(5) HB3 LEU 127 - HB3 MET 1 poor 8 30 25 - 4.3-11.2 HG2 LYS 44 - HG3 GLN 28 far 0 49 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. Peak 11272 from cnoeabs.peaks (1.52, 2.05, 33.44 ppm; 6.20 A): 3 out of 5 assignments used, quality = 1.00: HG LEU 6 + HB3 MET 67 OK 100 100 100 100 2.9-3.8 2.1/11564=91...(11) HG LEU 38 + HB3 MET 67 OK 100 100 100 100 5.4-5.8 11231/1.8=94, ~9704=87...(8) HB2 LEU 6 + HB3 MET 67 OK 90 90 100 100 4.6-5.6 3.1/11564=89...(11) HB3 ARG 30 - HB3 MET 67 far 0 99 0 - 9.4-10.2 HB2 LYS 61 - HB3 MET 67 far 0 100 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 11274 from cnoeabs.peaks (0.73, 1.59, 26.45 ppm; 3.71 A increased from 3.49 A): 1 out of 7 assignments used, quality = 0.80: QD1 LEU 6 + HG LEU 68 OK 80 90 95 94 3.5-3.9 11565/2.1=67, ~11343=41...(8) QD2 LEU 6 - HG LEU 68 poor 19 94 20 - 3.3-4.9 QG2 VAL 78 - HG LEU 68 far 0 100 0 - 6.1-7.5 QD2 LEU 63 - HG LEU 68 far 0 70 0 - 7.9-8.5 QD1 LEU 63 - HG LEU 68 far 0 77 0 - 8.7-9.2 QG2 ILE 7 - HG LEU 68 far 0 65 0 - 9.2-9.7 QD2 LEU 55 - HG LEU 68 far 0 92 0 - 9.6-10.8 Violated in 3 structures by 0.01 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 2.2-3.7 9819/3.1=95, 9772/1.8=88...(9) 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 = 0.95: QE MET 42 + QD1 LEU 74 OK 95 97 100 98 2.6-3.5 11530=96, 9426/9819=29...(5) HG LEU 45 - QD1 LEU 74 poor 19 94 20 - 3.9-4.6 QE MET 67 - QD1 LEU 74 far 0 97 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 11278 from cnoeabs.peaks (3.75, 1.70, 26.27 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.89: HA ILE 71 + HG LEU 74 OK 89 90 100 100 3.4-4.0 11347/2.1=78...(14) Violated in 0 structures by 0.00 A. Peak 11279 from cnoeabs.peaks (0.72, 2.85, 37.96 ppm; 5.75 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 78 + HB3 TYR 76 OK 99 99 100 100 3.1-3.6 9860/1.8=97, 9861=87...(5) QD2 LEU 45 - HB3 TYR 76 far 0 99 0 - 6.5-7.3 QD2 LEU 6 - HB3 TYR 76 far 0 77 0 - 8.5-9.3 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 5 assignments used, quality = 0.92: QG2 VAL 78 + HB2 TYR 76 OK 75 81 100 93 2.7-3.1 9861/1.8=66, 9874/2.5=54...(5) QD1 LEU 45 + HB2 TYR 76 OK 68 77 90 98 4.7-5.2 4735/4.4=69, 9446/2.5=50...(6) QD2 LEU 45 - HB2 TYR 76 far 0 81 0 - 6.3-7.1 QD2 LEU 6 - HB2 TYR 76 far 0 99 0 - 7.8-8.8 QG2 ILE 54 - HB2 TYR 76 far 0 97 0 - 8.0-9.1 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 1 assignment used, quality = 0.96: QD2 LEU 127 + HE3 LYS 77 OK 96 96 100 100 2.4-4.7 2.1/11282=83...(8) 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 1.9-3.5 11215/1.8=92, 11214=91...(12) 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 1.9-4.6 11215=78, 11214/1.8=70...(13) 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 0 assignments used, quality = 0.00: 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 far 0 95 0 - 5.9-8.1 HB2 PHE 79 - HD3 LYS 77 far 0 96 0 - 6.0-9.1 HG13 ILE 71 - HD2 LYS 77 far 0 87 0 - 8.9-10.3 HG3 LYS 2 - HD3 LYS 77 far 0 100 0 - 9.2-11.7 HG13 ILE 71 - HD3 LYS 77 far 0 87 0 - 9.3-11.2 HG3 LYS 2 - HD2 LYS 77 far 0 100 0 - 9.5-11.9 Violated in 20 structures by 2.03 A. Peak 11286 from cnoeabs.peaks (0.94, 1.62, 28.20 ppm; 5.09 A increased from 4.52 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 127 + HD3 LYS 77 OK 96 96 100 100 4.0-5.1 11472/3.0=63...(12) QD2 LEU 127 - HD2 LYS 77 far 14 95 15 - 4.8-6.0 HG3 LYS 53 - HD3 LYS 77 far 0 99 0 - 8.9-13.1 Violated in 3 structures by 0.00 A. Peak 11287 from cnoeabs.peaks (1.02, 1.35, 24.49 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 127 + HG2 LYS 77 OK 95 96 100 100 1.9-2.4 11471=78, 2.1/11472=56...(11) HG12 ILE 97 - HG2 LYS 94 far 0 23 0 - 6.4-9.3 HG3 LYS 2 - HG2 LYS 77 far 0 77 0 - 8.9-11.4 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 = 0.74: QD2 LEU 127 + HG2 LYS 77 OK 57 100 60 96 2.9-4.4 2.1/11287=58, 11472=43...(8) QG1 VAL 104 + HG2 LYS 94 OK 39 39 100 99 2.1-3.4 10226/3.0=61...(8) HG13 ILE 97 - HG2 LYS 94 far 0 35 0 - 7.0-8.6 HG3 LYS 53 - HG2 LYS 77 far 0 100 0 - 8.4-11.5 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 3.1-3.9 11471/1.8=75...(11) HG13 ILE 71 - HG3 LYS 77 far 0 73 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 11290 from cnoeabs.peaks (0.37, 1.56, 34.35 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.90: QD2 LEU 68 + HB VAL 78 OK 90 90 100 100 4.1-4.6 9865/2.1=100...(5) QD1 ILE 97 - HB VAL 78 far 0 92 0 - 8.6-9.2 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 12 assignments used, quality = 0.65: HB ILE 71 + QG2 VAL 78 OK 65 100 100 65 3.4-4.0 ~9788=48, 9794/9874=23 QE MET 67 - QG2 VAL 78 far 0 61 0 - 6.4-7.0 HB2 LEU 45 - QG2 VAL 78 far 0 99 0 - 7.3-7.6 HG LEU 45 - QG2 VAL 78 far 0 70 0 - 7.3-7.9 HB2 LYS 73 - QG2 VAL 78 far 0 99 0 - 8.3-9.6 HG2 MET 121 - QG2 VAL 78 far 0 65 0 - 8.6-11.0 HB ILE 7 - QG2 VAL 78 far 0 97 0 - 8.8-9.5 HB2 GLU 128 - QG2 VAL 78 far 0 100 0 - 9.4-11.7 HB3 LYS 123 - QG2 VAL 78 far 0 77 0 - 9.5-10.2 HB3 LYS 73 - QG2 VAL 78 far 0 99 0 - 9.6-10.1 HB2 LYS 49 - QG2 VAL 78 far 0 100 0 - 9.7-15.3 HB2 LYS 44 - QG2 VAL 78 far 0 87 0 - 9.8-11.4 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 3.6-4.2 2.2/4711=98, 4727/3.0=89...(13) QE PHE 93 - HA LEU 81 far 0 84 0 - 8.5-9.0 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 3.6-4.3 2.2/4727=100, ~4731=92...(12) 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 4.0-4.3 10023/525=90...(5) 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 1 assignment used, quality = 1.00: H ASP 86 + HB2 ASP 84 OK 100 100 100 100 2.4-3.1 536/534=94, 11408/3.0=94...(4) 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 4.0-4.3 11408/3.0=87, 536/535=85...(5) H ARG 105 - HB3 ASP 84 far 0 70 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 11299 from cnoeabs.peaks (1.55, 2.09, 29.57 ppm; 4.33 A): 0 out of 4 assignments used, quality = 0.00: HD2 LYS 106 - HB2 GLU 87 far 0 90 0 - 4.8-6.9 HD3 LYS 106 - HB2 GLU 87 far 0 87 0 - 5.5-7.4 HD3 LYS 94 - HB2 GLU 87 far 0 84 0 - 7.8-11.4 HD2 LYS 94 - HB2 GLU 87 far 0 84 0 - 8.6-10.7 Violated in 20 structures by 1.06 A. Peak 11300 from cnoeabs.peaks (1.55, 2.04, 29.57 ppm; 5.17 A increased from 4.36 A): 1 out of 9 assignments used, quality = 0.31: HD2 LYS 106 + HB3 GLU 87 OK 31 90 100 35 3.1-5.2 10290/10055=28, 11240/5714=9 HD2 LYS 94 - HB3 GLU 98 poor 19 43 45 - 3.7-6.9 HD3 LYS 106 - HB3 GLU 87 poor 15 87 70 24 3.9-5.7 10290/10055=18, ~11240=6 HD3 LYS 94 - HB3 GLU 98 lone 0 43 50 1 3.9-7.6 HD3 LYS 94 - HB3 GLU 87 far 0 84 0 - 6.2-9.9 HD2 LYS 94 - HB3 GLU 87 far 0 84 0 - 7.3-9.5 HD3 LYS 106 - HB3 GLU 98 far 0 45 0 - 8.6-10.6 HD2 LYS 106 - HB3 GLU 98 far 0 47 0 - 8.7-11.6 HD2 LYS 106 - HB3 GLN 85 far 0 59 0 - 9.7-12.6 Violated in 3 structures by 0.00 A. Peak 11301 from cnoeabs.peaks (2.91, 2.04, 29.24 ppm; 3.71 A): 2 out of 24 assignments used, quality = 0.59: HB2 ASP 86 + HB2 GLU 89 OK 42 81 60 87 2.7-5.0 11302/3.0=42...(8) HB3 ASN 88 + HB3 GLU 89 OK 29 96 40 77 3.6-5.2 557/4.0=39, 11084/3.0=29...(7) HB2 ASP 86 - HB3 GLU 89 poor 16 81 20 - 3.3-5.1 HB3 ASN 88 - HB2 GLU 89 far 0 96 0 - 4.4-5.2 HB2 ASP 86 - HB3 GLN 85 far 0 76 0 - 5.0-7.1 HE3 LYS 94 - HB3 GLU 98 far 0 49 0 - 5.6-7.4 HE3 LYS 96 - HB3 GLU 98 far 0 29 0 - 6.2-10.5 HE3 LYS 65 - HB2 GLU 66 far 0 100 0 - 6.6-10.1 HE2 LYS 96 - HB3 GLU 98 far 0 29 0 - 6.7-10.4 HB2 ASN 10 - HB3 GLN 85 far 0 94 0 - 6.7-8.8 HE2 LYS 65 - HB2 GLU 66 far 0 100 0 - 6.8-9.7 HE3 LYS 65 - HB3 GLN 100 far 0 89 0 - 8.0-11.6 HE2 LYS 65 - HB3 GLN 100 far 0 89 0 - 8.0-12.2 HE2 LYS 96 - HB3 GLN 100 far 0 56 0 - 8.0-12.9 HE3 LYS 96 - HB3 GLN 100 far 0 56 0 - 8.4-12.8 HE3 LYS 96 - HB3 GLU 89 far 0 70 0 - 8.7-15.4 HE3 LYS 96 - HB2 GLU 89 far 0 70 0 - 9.1-15.2 HE2 LYS 96 - HB3 GLU 89 far 0 70 0 - 9.1-15.4 HB2 ASN 10 - HB2 GLU 89 far 0 97 0 - 9.2-12.0 HB3 ASN 88 - HB3 GLN 85 far 0 92 0 - 9.3-10.7 HE2 LYS 96 - HB2 GLU 89 far 0 70 0 - 9.5-15.4 HE3 LYS 94 - HB2 GLU 89 far 0 99 0 - 9.6-11.3 HB2 ASN 10 - HB3 GLU 89 far 0 97 0 - 9.9-12.6 HE3 LYS 94 - HB3 GLU 89 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 11302 from cnoeabs.peaks (2.92, 2.26, 36.01 ppm; 4.05 A): 1 out of 17 assignments used, quality = 0.78: HB2 ASP 86 + HG2 GLU 89 OK 78 99 85 92 1.9-4.4 11303/1.8=53...(7) HB3 ASN 88 - HG2 GLU 89 poor 13 65 20 - 3.3-5.1 HE2 LYS 115 - HG3 GLU 111 far 7 73 10 - 2.9-11.9 HE3 LYS 115 - HG3 GLU 111 far 0 73 0 - 4.2-11.6 HE2 LYS 65 - HG2 GLU 69 far 0 77 0 - 4.8-8.7 HE3 LYS 65 - HG2 GLU 69 far 0 77 0 - 5.0-9.8 HB3 ASN 88 - HG3 GLU 92 far 0 65 0 - 5.1-7.3 HE2 LYS 96 - HG3 GLU 92 far 0 96 0 - 5.8-12.6 HE3 LYS 96 - HG3 GLU 92 far 0 96 0 - 6.0-12.3 HE3 LYS 96 - HG2 GLU 69 far 0 77 0 - 6.9-17.1 HE2 LYS 96 - HG2 GLU 69 far 0 77 0 - 7.2-16.8 HE3 LYS 94 - HG3 GLU 92 far 0 98 0 - 7.2-10.1 HB2 ASP 86 - HG3 GLU 92 far 0 99 0 - 7.7-8.9 HB2 ASN 10 - HG2 GLU 89 far 0 70 0 - 9.4-14.1 HE3 LYS 94 - HG2 GLU 89 far 0 98 0 - 9.6-13.4 HE3 LYS 94 - HG2 GLU 103 far 0 60 0 - 9.9-12.7 HE2 LYS 96 - HG2 GLU 89 far 0 97 0 - 10.0-16.8 Violated in 3 structures by 0.04 A. Peak 11303 from cnoeabs.peaks (2.92, 2.31, 36.01 ppm; 3.92 A): 2 out of 16 assignments used, quality = 0.92: HB2 ASP 86 + HG3 GLU 89 OK 87 94 100 93 2.0-4.0 11302/1.8=70...(6) HB3 ASN 88 + HG3 GLU 89 OK 39 84 60 78 2.6-5.7 4.2/5769=46...(5) HE3 LYS 16 - HG3 GLU 13 poor 19 95 20 - 3.3-7.4 HE2 LYS 16 - HG3 GLU 13 far 14 95 15 - 3.7-6.9 HE3 LYS 44 - HG3 GLU 48 far 4 73 5 - 4.0-13.4 HE2 LYS 44 - HG3 GLU 48 far 0 73 0 - 4.2-13.9 HE2 LYS 96 - HG2 GLU 92 far 0 82 0 - 4.4-12.3 HE3 LYS 96 - HG2 GLU 92 far 0 82 0 - 4.6-12.0 HB3 ASN 88 - HG2 GLU 92 far 0 78 0 - 5.7-7.7 HE3 LYS 17 - HG3 GLU 13 far 0 65 0 - 7.5-8.8 HE3 LYS 94 - HG2 GLU 92 far 0 97 0 - 7.8-10.9 HB2 ASP 86 - HG2 GLU 92 far 0 89 0 - 8.0-10.3 HB2 ASN 10 - HG3 GLU 89 far 0 87 0 - 8.6-13.0 HB2 ASN 10 - HG3 GLU 13 far 0 87 0 - 9.0-11.1 HE3 LYS 94 - HG3 GLU 89 far 0 100 0 - 9.5-12.6 HE3 LYS 94 - HG3 GLU 103 far 0 47 0 - 9.7-12.1 Violated in 0 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 - HB3 GLU 89 far 0 65 0 - 5.2-6.8 HB2 ASN 88 - HB2 GLU 89 far 0 65 0 - 5.8-6.8 HB3 ASN 10 - HB3 GLN 85 far 0 73 0 - 6.6-9.0 HB2 ASP 109 - HB3 GLN 85 far 0 69 0 - 9.2-11.7 HB2 ASN 88 - HB3 GLN 85 far 0 61 0 - 9.2-10.7 HB3 ASN 10 - HB2 GLU 89 far 0 77 0 - 9.4-11.6 HB3 ASN 10 - HB3 GLU 89 far 0 77 0 - 9.9-12.2 Violated in 20 structures by 1.84 A. Peak 11306 from cnoeabs.peaks (8.42, 0.90, 24.86 ppm; 5.81 A): 1 out of 2 assignments used, quality = 0.73: H GLN 83 + QD1 LEU 90 OK 73 73 100 99 4.2-4.8 4.5/11577=73, ~10074=66...(6) H ASN 10 - QD1 LEU 90 far 0 61 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 11307 from cnoeabs.peaks (0.90, 2.92, 41.78 ppm; 4.47 A increased from 4.21 A): 1 out of 22 assignments used, quality = 0.89: QD1 LEU 90 + HE3 LYS 94 OK 89 98 100 91 4.1-4.4 10977/4.8=40...(8) QD2 LEU 90 - HE3 LYS 94 far 0 77 0 - 4.9-6.0 HG13 ILE 54 - HE3 LYS 44 far 0 48 0 - 5.5-12.7 QG2 VAL 104 - HE3 LYS 94 far 0 84 0 - 5.6-6.6 HG13 ILE 54 - HE2 LYS 44 far 0 48 0 - 6.0-12.2 QG2 VAL 104 - HE3 LYS 65 far 0 84 0 - 7.4-10.8 QD2 LEU 38 - HE3 LYS 65 far 0 95 0 - 7.9-10.9 QD2 LEU 38 - HE2 LYS 65 far 0 95 0 - 7.9-10.5 QG2 VAL 104 - HE2 LYS 65 far 0 84 0 - 8.0-10.9 QD1 LEU 70 - HE2 LYS 65 far 0 94 0 - 8.0-10.3 QD1 LEU 70 - HE3 LYS 65 far 0 94 0 - 8.0-10.7 QG2 VAL 104 - HE2 LYS 96 far 0 50 0 - 8.3-10.2 QG2 VAL 104 - HE3 LYS 96 far 0 50 0 - 8.3-10.0 QD1 LEU 90 - HE3 LYS 96 far 0 64 0 - 8.4-11.3 QD1 LEU 90 - HE2 LYS 96 far 0 64 0 - 8.7-11.3 QD2 LEU 70 - HE2 LYS 65 far 0 98 0 - 9.3-11.9 QD1 LEU 90 - HE3 LYS 65 far 0 98 0 - 9.3-12.4 QD2 LEU 70 - HE3 LYS 65 far 0 98 0 - 9.4-12.2 QD1 LEU 90 - HE2 LYS 65 far 0 98 0 - 9.5-12.3 QG2 VAL 29 - HE3 LYS 16 far 0 93 0 - 9.5-11.8 QG2 VAL 29 - HE2 LYS 44 far 0 68 0 - 9.6-15.6 QD2 LEU 70 - HE3 LYS 44 far 0 64 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 11308 from cnoeabs.peaks (0.89, 3.02, 41.78 ppm; 5.79 A): 2 out of 3 assignments used, quality = 0.81: QD1 LEU 90 + HE2 LYS 94 OK 76 77 100 99 4.6-5.8 11307/1.8=86...(7) QD2 LEU 90 + HE2 LYS 94 OK 22 98 25 90 4.9-6.8 ~11307=81, ~10982=31 QG2 VAL 104 - HE2 LYS 94 far 15 99 15 - 5.0-6.8 Violated in 0 structures by 0.00 A. Peak 11309 from cnoeabs.peaks (4.34, 1.57, 24.91 ppm; 5.19 A increased from 4.88 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 93 + HG3 LYS 96 OK 100 100 100 100 3.1-5.2 8210/2.9=91...(8) HA SER 99 - HG3 LYS 96 far 0 100 0 - 8.1-10.3 HA GLU 98 - HG3 LYS 96 far 0 99 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 11310 from cnoeabs.peaks (4.33, 1.68, 28.89 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.27: HA PHE 93 + HD3 LYS 96 OK 27 99 30 92 2.9-5.5 8210/3.4=44, 8207/3.4=39...(9) HA PHE 93 - HD2 LYS 96 far 15 98 15 - 3.5-5.7 HA GLU 98 - HD2 LYS 96 far 0 100 0 - 7.7-8.4 HA SER 99 - HD2 LYS 96 far 0 95 0 - 7.7-8.8 HA SER 99 - HD3 LYS 96 far 0 96 0 - 8.1-10.4 HA GLU 98 - HD3 LYS 96 far 0 100 0 - 8.7-10.0 Violated in 14 structures by 0.81 A. Peak 11311 from cnoeabs.peaks (7.63, 3.94, 62.57 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.99: H GLN 100 + HA ILE 97 OK 99 99 100 100 3.0-3.5 1665/10111=79...(9) H ASP 34 - HB3 SER 35 far 0 45 0 - 6.4-7.2 H GLU 69 - HA ILE 97 far 0 100 0 - 7.6-8.3 H LEU 64 - HB3 SER 35 far 0 58 0 - 8.5-9.5 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 3.1-3.6 2.2/10142=89...(11) Violated in 0 structures by 0.00 A. Peak 11313 from cnoeabs.peaks (8.28, 3.98, 57.26 ppm; 5.50 A increased from 5.17 A): 1 out of 1 assignment used, quality = 0.82: H GLU 13 + HA LEU 14 OK 82 90 100 91 5.2-5.3 62/3.0=89, 10766/4.0=22 Violated in 0 structures by 0.00 A. Peak 11314 from cnoeabs.peaks (7.68, 0.64, 20.11 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.87: H GLU 21 + QG1 VAL 22 OK 87 90 100 97 4.0-4.5 4.1/10867=69...(5) HE ARG 118 - QG1 VAL 22 far 0 92 0 - 6.1-9.1 HD21 ASN 24 - QG1 VAL 22 far 0 70 0 - 6.4-8.6 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 3.4-3.5 3.6=100 H ARG 118 - HA GLU 21 far 0 61 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 11324 from cnoeabs.peaks (2.97, 3.96, 58.89 ppm; 4.96 A increased from 4.41 A): 1 out of 5 assignments used, quality = 0.92: HB2 ASN 24 + HA GLU 21 OK 92 100 95 97 3.3-5.5 8025=95, 3.5/11539=44 HB3 ASN 24 - HA GLU 21 far 15 100 15 - 4.1-7.3 HD3 ARG 118 - HA GLU 21 far 5 100 5 - 4.7-10.2 HE3 LYS 20 - HA GLU 21 far 5 99 5 - 5.0-8.5 HE2 LYS 20 - HA GLU 21 far 0 99 0 - 5.3-9.0 Violated in 3 structures by 0.03 A. Peak 11325 from cnoeabs.peaks (8.81, 0.91, 27.42 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: H ILE 54 + HG13 ILE 54 OK 99 99 100 100 2.6-2.9 4.6=100 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 - 8.1-8.7 Violated in 20 structures by 3.03 A. Peak 11328 from cnoeabs.peaks (1.45, 1.68, 41.95 ppm; 3.92 A): 1 out of 9 assignments used, quality = 0.84: HB3 LEU 4 + HB ILE 54 OK 84 94 95 94 3.5-4.0 3.1/10734=65...(10) HG12 ILE 56 - HB ILE 54 far 3 61 5 - 3.9-4.7 HG3 ARG 30 - HB ILE 54 far 0 98 0 - 4.6-6.5 HG LEU 4 - HB ILE 54 far 0 99 0 - 4.6-5.4 HB2 LEU 4 - HB ILE 54 far 0 94 0 - 5.0-5.7 HG2 LYS 49 - HB ILE 54 far 0 87 0 - 5.4-15.8 HG3 LYS 49 - HB ILE 54 far 0 87 0 - 6.6-15.2 HG3 LYS 44 - HB ILE 54 far 0 96 0 - 6.7-10.0 HG12 ILE 57 - HB ILE 54 far 0 81 0 - 8.8-9.5 Violated in 1 structures by 0.01 A. Peak 11329 from cnoeabs.peaks (1.45, 0.75, 17.84 ppm; 3.34 A): 1 out of 11 assignments used, quality = 0.80: HG3 ARG 30 + QG2 ILE 54 OK 80 100 100 80 2.0-3.4 3.0/9263=32, ~11330=25...(9) HB3 LEU 4 - QG2 ILE 54 far 0 84 0 - 3.9-4.7 HG3 LYS 44 - QG2 ILE 54 far 0 87 0 - 4.5-7.3 HG2 LYS 49 - QG2 ILE 54 far 0 96 0 - 5.2-14.0 HB2 LEU 4 - QG2 ILE 54 far 0 84 0 - 5.3-6.2 HG LEU 4 - QG2 ILE 54 far 0 100 0 - 5.6-6.4 HG3 LYS 49 - QG2 ILE 54 far 0 96 0 - 6.3-13.7 HG12 ILE 57 - QG2 ILE 54 far 0 92 0 - 6.3-6.9 HB3 LEU 38 - QG2 ILE 54 far 0 90 0 - 8.9-9.8 HB3 LEU 6 - QG2 ILE 54 far 0 96 0 - 9.3-9.8 HB2 LEU 74 - QG2 ILE 54 far 0 73 0 - 9.6-10.7 Violated in 4 structures by 0.00 A. Peak 11330 from cnoeabs.peaks (1.48, 0.64, 13.41 ppm; 3.88 A increased from 3.65 A): 1 out of 6 assignments used, quality = 0.65: HG2 ARG 30 + QD1 ILE 54 OK 65 77 100 84 3.4-3.9 ~11329=39, 3.0/9264=39...(6) HD2 LYS 53 - QD1 ILE 54 far 0 100 0 - 5.7-6.9 HB3 LEU 45 - QD1 ILE 54 far 0 99 0 - 5.8-7.2 HD2 LYS 53 - QD1 ILE 5 far 0 78 0 - 6.0-8.6 HG3 ARG 118 - QD1 ILE 5 far 0 78 0 - 8.1-9.3 HG2 ARG 30 - QD1 ILE 5 far 0 53 0 - 9.7-10.9 Violated in 1 structures by 0.00 A. Peak 11331 from cnoeabs.peaks (2.08, 0.91, 27.42 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.78: HB2 GLN 28 + HG13 ILE 54 OK 61 61 100 100 4.0-5.4 ~11481=86, ~11484=75...(6) HG2 GLU 52 + HG13 ILE 54 OK 42 61 70 98 4.0-7.1 ~11545=82, ~11351=71, ~10801=58 HB2 LYS 94 - HG13 ILE 97 far 0 41 0 - 7.1-8.5 HB3 GLU 69 - HG13 ILE 97 far 0 46 0 - 9.3-10.6 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 = 0.97: QD1 ILE 116 + HG3 GLU 112 OK 84 100 95 89 2.6-4.6 10497/1.8=36, 10497=31...(8) QD1 ILE 116 + HG2 GLU 112 OK 80 100 90 89 2.3-5.3 10497/1.8=40...(8) QD2 LEU 114 - HG3 GLU 112 far 0 96 0 - 6.8-8.3 QD2 LEU 114 - HG2 GLU 112 far 0 95 0 - 7.0-8.3 Violated in 1 structures by 0.00 A. Peak 11340 from cnoeabs.peaks (0.77, 5.35, 53.00 ppm; 4.73 A increased from 4.21 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 80 + HA LEU 6 OK 98 100 100 98 4.2-4.6 10954/3.0=82...(4) QD1 ILE 7 + HA LEU 6 OK 86 99 100 87 4.5-4.6 1055/23=77, 3.2/10951=43 QD2 LEU 80 - HA LEU 6 far 0 99 0 - 6.5-6.8 QD2 LEU 64 - HA LEU 6 far 0 90 0 - 7.0-7.4 QG2 VAL 32 - HA LEU 6 far 0 94 0 - 7.4-8.1 QD1 LEU 45 - HA LEU 6 far 0 65 0 - 7.9-8.5 QD1 LEU 81 - HA LEU 6 far 0 70 0 - 8.0-8.1 QD1 ILE 15 - HA LEU 6 far 0 96 0 - 8.5-10.3 QD1 LEU 82 - HA LEU 6 far 0 98 0 - 8.5-9.0 QG1 VAL 107 - HA LEU 6 far 0 94 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 11342 from cnoeabs.peaks (9.22, 0.71, 25.51 ppm; 4.36 A increased from 4.10 A): 1 out of 1 assignment used, quality = 0.61: H LEU 6 + QD1 LEU 6 OK 61 61 100 100 4.2-4.3 3.0/2450=76, 3.9/2482=74...(11) Violated in 0 structures by 0.00 A. Peak 11343 from cnoeabs.peaks (0.38, 0.73, 25.37 ppm; 3.67 A increased from 3.45 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 68 + QD2 LEU 6 OK 99 100 100 99 3.2-3.6 9767=97, ~11274=40...(8) QD1 ILE 97 - QD2 LEU 6 far 0 65 0 - 6.0-6.6 QD2 LEU 68 - QD1 LEU 63 far 0 83 0 - 8.0-8.9 QD1 ILE 97 - QD1 LEU 63 far 0 48 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 11347 from cnoeabs.peaks (3.74, 0.82, 21.88 ppm; 4.79 A increased from 4.51 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 71 + QD2 LEU 74 OK 100 100 100 100 4.5-4.8 9819/2.1=86...(12) Violated in 2 structures by 0.00 A. Peak 11349 from cnoeabs.peaks (0.74, 2.91, 42.40 ppm; 4.86 A increased from 4.09 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 63 + HB2 ASP 34 OK 100 100 100 100 4.4-4.6 11263/3.0=85...(7) Violated in 0 structures by 0.00 A. Peak 11350 from cnoeabs.peaks (4.06, 2.50, 36.27 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 44 + HG3 GLU 47 OK 98 100 100 98 3.0-4.1 8090/3.0=85, 8092/3.0=70 Violated in 0 structures by 0.00 A. Peak 11351 from cnoeabs.peaks (0.64, 1.95, 33.46 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.92: QD1 ILE 54 + HB3 GLU 52 OK 92 97 100 94 2.7-3.3 11545=79, 10801/1.8=48...(4) QD1 LEU 4 - HB3 GLU 52 far 0 100 0 - 7.0-8.7 QD1 ILE 56 - HB3 GLU 52 far 0 61 0 - 8.1-9.1 Violated in 0 structures by 0.00 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 2.2-2.7 2.4/4709=78, 10566=70...(18) HG3 GLU 103 - QD1 ILE 5 far 0 70 0 - 6.6-9.1 HG2 GLN 83 - QD1 ILE 18 far 0 76 0 - 6.7-7.2 HG3 GLU 112 - QD1 ILE 18 far 0 78 0 - 7.1-9.0 HG2 GLU 112 - QD1 ILE 18 far 0 77 0 - 7.3-9.0 HB3 PHE 120 - QD1 ILE 18 far 0 77 0 - 8.8-9.2 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 99 2.9-4.4 10592=84, 1.8/10594=63...(6) HE2 LYS 53 - QD1 ILE 54 far 0 74 0 - 5.6-8.5 HE2 LYS 53 - QD1 ILE 5 far 0 98 0 - 6.6-9.1 HG3 MET 121 - QD1 ILE 18 far 0 69 0 - 7.2-9.7 HB3 ASP 12 - QD1 ILE 18 far 0 71 0 - 8.9-9.5 HB2 ASP 12 - QD1 ILE 18 far 0 71 0 - 9.1-9.5 HG3 MET 121 - QD1 ILE 54 far 0 69 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 11354 from cnoeabs.peaks (2.07, 0.62, 13.41 ppm; 3.89 A): 2 out of 13 assignments used, quality = 1.00: HB3 PHE 79 + QD1 ILE 5 OK 100 100 100 100 2.0-2.7 1.8/10740=71...(21) HB2 GLN 28 + QD1 ILE 54 OK 54 66 100 82 1.9-2.7 1.8/11481=48, ~11484=31...(5) HB3 MET 121 - QD1 ILE 5 far 0 99 0 - 4.8-5.6 HB2 GLU 103 - QD1 ILE 5 far 0 77 0 - 5.9-7.5 HG2 GLU 119 - QD1 ILE 5 far 0 99 0 - 6.1-9.1 HB2 GLU 112 - QD1 ILE 18 far 0 62 0 - 6.9-8.9 HB3 GLU 112 - QD1 ILE 18 far 0 64 0 - 7.0-7.8 HB2 GLU 13 - QD1 ILE 18 far 0 71 0 - 7.0-7.7 HG2 GLU 119 - QD1 ILE 18 far 0 76 0 - 8.2-9.5 HB2 GLU 47 - QD1 ILE 54 far 0 50 0 - 8.3-10.2 HB3 MET 121 - QD1 ILE 18 far 0 75 0 - 8.4-9.5 HB3 PHE 79 - QD1 ILE 18 far 0 77 0 - 8.5-8.8 HB2 GLN 28 - QD1 ILE 5 far 0 92 0 - 8.7-10.5 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 98 4.3-4.5 4.5/327=61, 4.6/11706=60...(6) 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 = 0.93: H GLN 28 + QD1 ILE 54 OK 76 76 100 99 2.8-3.7 9237=67, 9232/4.2=64...(8) H MET 121 + QD1 ILE 5 OK 69 70 100 100 3.6-4.2 10590=60, 4.6/4709=60...(12) H PHE 51 - QD1 ILE 54 far 0 72 0 - 5.7-8.6 H GLU 103 - QD1 ILE 5 far 0 73 0 - 6.7-7.4 H GLN 28 - QD1 ILE 5 far 0 99 0 - 8.0-8.7 H MET 121 - QD1 ILE 18 far 0 47 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 11357 from cnoeabs.peaks (7.12, 0.62, 13.41 ppm; 5.27 A increased from 4.68 A): 1 out of 4 assignments used, quality = 0.77: QE PHE 120 + QD1 ILE 5 OK 77 77 100 100 4.6-5.3 2.2/4709=98, 9048/3.0=78...(13) QE PHE 120 - QD1 ILE 18 far 0 53 0 - 6.0-6.9 QD PHE 51 - QD1 ILE 54 far 0 78 0 - 7.0-8.7 QD PHE 51 - QD1 ILE 5 far 0 100 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 11358 from cnoeabs.peaks (8.80, 0.68, 26.27 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.54: H ILE 54 + QD2 LEU 4 OK 54 54 100 100 1.9-2.5 11714=98, 9485/3.8=61...(10) H ILE 54 - QD1 LEU 55 far 0 99 0 - 6.4-6.7 H ILE 18 - QD1 LEU 55 far 0 77 0 - 6.6-7.3 H SER 58 - QD1 LEU 55 far 0 92 0 - 7.7-8.3 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 99 3.5-4.0 4.0/9550=65...(7) Violated in 0 structures by 0.00 A. Peak 11362 from cnoeabs.peaks (9.15, 0.71, 13.94 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.72: H ARG 30 + QD1 ILE 57 OK 72 77 100 93 4.1-4.3 11361/4.9=64...(6) 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 3.8-4.2 9769/2.1=98, 8139/3.0=92...(7) HB3 SER 35 - HG LEU 70 far 0 97 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 11365 from cnoeabs.peaks (2.19, 0.91, 25.18 ppm; 3.71 A): 1 out of 6 assignments used, quality = 0.94: HB2 MET 42 + QD1 LEU 70 OK 94 100 95 99 2.7-3.8 3.0/11368=58...(12) HB2 MET 67 - QD1 LEU 70 far 0 94 0 - 3.9-4.2 HG3 GLU 66 - QD1 LEU 70 far 0 97 0 - 4.2-5.2 HB2 GLU 69 - QD1 LEU 70 far 0 97 0 - 4.2-5.5 HB3 GLU 37 - QD1 LEU 70 far 0 61 0 - 8.1-8.8 HB2 GLN 100 - QD1 LEU 70 far 0 73 0 - 9.8-11.4 Violated in 1 structures by 0.01 A. Peak 11366 from cnoeabs.peaks (2.21, 0.90, 23.17 ppm; 4.13 A): 1 out of 4 assignments used, quality = 0.76: HB2 MET 42 + QD2 LEU 70 OK 76 77 100 98 2.8-3.8 11365/2.1=60...(12) HB2 GLU 69 - QD2 LEU 70 far 0 99 0 - 4.3-5.6 HG3 GLU 66 - QD2 LEU 70 far 0 61 0 - 5.5-6.9 HB2 MET 67 - QD2 LEU 70 far 0 100 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 11367 from cnoeabs.peaks (2.67, 0.90, 23.17 ppm; 5.10 A increased from 4.80 A): 1 out of 3 assignments used, quality = 0.61: HG2 MET 42 + QD2 LEU 70 OK 61 61 100 100 4.0-4.8 3.0/11366=84, ~11369=77...(17) HB2 TYR 76 - QD2 LEU 70 far 0 90 0 - 8.6-9.6 HB3 ASP 36 - QD2 LEU 70 far 0 84 0 - 10.0-10.9 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 2.0-3.3 1.8/11369=68...(17) HB2 TYR 76 - QD1 LEU 70 far 0 90 0 - 8.6-9.3 HB3 ASP 36 - QD1 LEU 70 far 0 94 0 - 9.1-9.8 Violated in 0 structures by 0.00 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 1.9-3.4 1.8/11368=79...(18) HE2 LYS 2 - QD1 LEU 70 far 0 96 0 - 8.5-11.2 HB2 ASP 60 - QD1 LEU 70 far 0 77 0 - 9.2-10.7 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 3.5-3.8 9760/2.1=87, 9758/1.8=77...(10) HA LYS 65 - HD3 LYS 96 far 0 50 0 - 6.4-12.1 HA LYS 65 - HD2 LYS 96 far 0 43 0 - 7.1-11.4 HA LYS 65 - HG12 ILE 71 far 0 94 0 - 8.2-8.6 HA LEU 68 - HD3 LYS 73 far 0 74 0 - 8.3-11.0 HA LEU 68 - HD2 LYS 73 far 0 78 0 - 8.8-11.2 HB2 SER 58 - HG12 ILE 71 far 0 99 0 - 9.8-10.7 HA LYS 115 - HD2 LYS 20 far 0 65 0 - 9.9-14.9 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 = 0.98: HA SER 72 + QG2 ILE 71 OK 98 98 100 100 3.4-3.8 9807=86, 2.9/444=84...(9) Violated in 0 structures by 0.00 A. Peak 11375 from cnoeabs.peaks (4.25, 0.82, 25.82 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.57: HA LEU 74 + QD1 LEU 74 OK 57 57 100 100 3.8-4.0 4.0=100 HA ALA 46 - QD1 LEU 74 far 5 99 5 - 4.2-5.2 HA GLU 41 - QD1 LEU 74 far 0 73 0 - 7.9-8.6 HA GLU 47 - QD1 LEU 74 far 0 100 0 - 7.9-8.5 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 97 100 100 98 3.9-4.6 9894/493=73...(8) HA ILE 3 + QG2 VAL 78 OK 84 94 100 89 3.6-4.3 2/10665=63, ~10668=33...(6) HA ILE 54 - QG2 VAL 78 far 0 90 0 - 7.6-8.0 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 91 96 100 95 1.9-2.1 11529/2.1=57, 11528=46...(13) HG LEU 4 + QG2 VAL 78 OK 86 98 100 88 2.3-3.0 2.9/11528=27, ~11529=26...(11) HB3 LEU 4 + QG2 VAL 78 OK 85 96 95 94 3.3-3.6 11528=42, ~11529=38...(12) HB3 LEU 6 - QG2 VAL 78 far 0 84 0 - 5.1-5.9 HG12 ILE 56 - QG2 VAL 78 far 0 65 0 - 5.2-5.9 HG LEU 80 - QG2 VAL 78 far 0 99 0 - 8.5-9.2 HG2 LYS 49 - QG2 VAL 78 far 0 84 0 - 8.5-15.3 HG3 ARG 30 - QG2 VAL 78 far 0 97 0 - 8.8-10.8 HG12 ILE 7 - QG2 VAL 78 far 0 81 0 - 8.8-9.5 HG12 ILE 57 - QG2 VAL 78 far 0 77 0 - 9.2-9.9 HG3 LYS 49 - QG2 VAL 78 far 0 84 0 - 9.4-15.8 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 - 6.9-8.0 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 3 assignments used, quality = 0.87: QD1 ILE 5 + HA PHE 79 OK 87 87 100 100 4.3-4.9 10740/3.0=67...(13) QD1 ILE 71 - HA PHE 79 far 0 65 0 - 6.1-6.8 QD1 LEU 4 - HA PHE 79 far 0 98 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 11381 from cnoeabs.peaks (1.93, 7.10, 130.23 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.98: HB2 LYS 123 + QE PHE 79 OK 98 98 100 100 3.1-4.0 7119/4652=84...(7) HB2 LEU 127 - QE PHE 79 far 10 98 10 - 4.9-6.4 HG2 MET 121 - QE PHE 79 far 0 65 0 - 6.3-8.4 HB2 LEU 81 - QE PHE 79 far 0 73 0 - 9.2-9.4 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 2.0-2.8 9021=89, 4662/2.2=77...(12) HG2 LYS 53 - QE PHE 79 far 0 58 0 - 6.0-10.5 HG2 LYS 2 - QE PHE 79 far 0 98 0 - 8.6-11.4 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 3 assignments used, quality = 1.00: QG2 VAL 104 + HB2 LEU 80 OK 100 100 100 100 3.0-3.3 11088/1.8=66...(16) QD1 LEU 90 - HB2 LEU 80 far 0 73 0 - 8.2-8.6 QD2 LEU 90 - HB2 LEU 80 far 0 99 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 11385 from cnoeabs.peaks (7.13, 1.35, 27.36 ppm; 5.15 A increased from 4.85 A): 1 out of 2 assignments used, quality = 0.97: QE PHE 120 + HG LEU 81 OK 97 97 100 100 4.4-5.1 4732/2.1=91, 4727/3.0=85...(12) QE PHE 93 - HG LEU 81 far 0 98 0 - 9.4-10.1 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 3.6-4.1 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): 0 out of 4 assignments used, quality = 0.00: HG12 ILE 7 - QD1 LEU 81 far 0 100 0 - 4.1-4.4 HG LEU 80 - QD1 LEU 81 far 0 61 0 - 5.3-5.5 HG2 LYS 106 - QD1 LEU 81 far 0 100 0 - 5.4-6.2 HB3 LEU 6 - QD1 LEU 81 far 0 100 0 - 7.1-7.4 Violated in 20 structures by 1.00 A. Peak 11389 from cnoeabs.peaks (1.46, 0.71, 25.86 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.79: HG12 ILE 7 + QD2 LEU 81 OK 79 99 100 80 1.9-2.3 11623/3.1=26...(10) HB3 LEU 6 - QD2 LEU 81 far 0 98 0 - 6.7-7.1 HG3 ARG 118 - QD2 LEU 81 far 0 61 0 - 7.2-8.4 HG12 ILE 57 - QD2 LEU 81 far 0 99 0 - 7.9-8.6 HG2 LYS 106 - QD2 LEU 81 far 0 99 0 - 8.0-8.7 Violated in 0 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 3.9-4.3 9958/2.1=99, ~11637=99...(16) Violated in 0 structures by 0.00 A. Peak 11392 from cnoeabs.peaks (2.06, 0.78, 26.01 ppm; 5.07 A): 1 out of 7 assignments used, quality = 0.92: HB2 LYS 94 + QD1 LEU 82 OK 92 92 100 100 2.6-4.5 1.8/10980=94, 10978=89...(7) HB2 GLU 92 - QD1 LEU 82 far 0 97 0 - 6.7-7.6 HB3 GLU 91 - QD1 LEU 82 far 0 94 0 - 6.9-7.5 HB3 GLU 98 - QD1 LEU 82 far 0 97 0 - 7.2-7.7 HB3 GLN 100 - QD1 LEU 82 far 0 87 0 - 8.0-9.7 HB3 MET 67 - QD1 LEU 82 far 0 90 0 - 9.1-9.8 HB3 PHE 79 - QD1 LEU 82 far 0 77 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 11393 from cnoeabs.peaks (2.27, 0.78, 24.57 ppm; 4.78 A increased from 4.25 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASN 8 + QD2 LEU 64 OK 99 99 100 100 4.3-4.5 9104/2.1=96, ~10448=68...(5) HG2 GLU 69 - QD2 LEU 64 far 0 99 0 - 5.7-8.5 HG3 GLU 92 - QD2 LEU 64 far 0 99 0 - 8.4-11.7 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 = 0.80: HG3 LYS 94 + QD1 LEU 82 OK 80 84 100 96 2.4-4.2 3.0/10980=63...(5) HG3 LYS 65 - QD1 LEU 82 far 0 92 0 - 5.8-7.6 HG LEU 81 - QD1 LEU 82 far 0 87 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 11395 from cnoeabs.peaks (1.44, 0.82, 23.86 ppm; 4.43 A increased from 3.94 A): 1 out of 8 assignments used, quality = 0.83: HG LEU 80 + QD2 LEU 82 OK 83 100 100 84 4.1-4.2 9964/3.1=43, 4.3/9977=31...(6) HB3 LYS 61 - QD2 LEU 82 far 5 92 5 - 4.3-6.9 HG2 LYS 106 - QD2 LEU 82 far 0 65 0 - 5.8-6.8 HB3 LEU 6 - QD2 LEU 82 far 0 73 0 - 5.9-6.5 HG12 ILE 7 - QD2 LEU 82 far 0 70 0 - 6.9-7.4 HB3 LEU 63 - QD2 LEU 82 far 0 73 0 - 8.4-9.2 HG2 LYS 96 - QD2 LEU 82 far 0 100 0 - 8.6-10.0 HG12 ILE 57 - QD2 LEU 82 far 0 65 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 11396 from cnoeabs.peaks (0.36, 0.82, 23.86 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.97: QD1 ILE 97 + QD2 LEU 82 OK 97 100 100 97 3.5-3.9 11397/2.1=75...(7) QD2 LEU 68 - QD2 LEU 82 far 0 61 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 11397 from cnoeabs.peaks (0.37, 0.78, 26.01 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 97 + QD1 LEU 82 OK 95 98 100 97 2.6-3.2 11396/2.1=68...(12) QD2 LEU 68 - QD1 LEU 82 far 0 77 0 - 5.4-6.0 Violated in 0 structures by 0.00 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 1.9-2.9 4667=83, 9983/2.1=69...(11) HE21 GLN 83 - QD1 LEU 82 far 0 81 0 - 9.6-10.1 HE22 GLN 83 - QD1 LEU 82 far 0 77 0 - 9.8-10.7 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 4.0-4.5 3.0/11633=100...(6) HA LEU 82 + QD1 LEU 81 OK 100 100 100 100 3.9-4.4 2.9/515=100, ~514=71...(6) HA ILE 57 - QD1 LEU 81 far 0 100 0 - 9.0-9.6 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 = 0.93: HA LYS 106 + QD1 LEU 81 OK 93 100 100 93 3.5-3.9 9974/515=60...(4) Violated in 0 structures by 0.00 A. Peak 11402 from cnoeabs.peaks (8.56, 0.79, 24.93 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.95: H VAL 107 + QD1 LEU 81 OK 95 99 100 96 3.5-4.2 677/11401=68...(4) Violated in 0 structures by 0.00 A. Peak 11404 from cnoeabs.peaks (0.89, 2.17, 29.33 ppm; 3.99 A): 1 out of 6 assignments used, quality = 0.87: QG2 VAL 104 + HB2 GLU 98 OK 87 90 100 97 3.5-4.1 10161/2.9=58...(7) QD2 LEU 90 - HB2 GLN 85 far 0 99 0 - 6.5-7.1 QD1 LEU 90 - HB2 GLU 98 far 0 61 0 - 6.8-7.3 QG2 VAL 107 - HB2 GLN 85 far 0 61 0 - 7.7-9.0 QD1 LEU 90 - HB2 GLN 85 far 0 73 0 - 8.3-9.0 QD2 LEU 90 - HB2 GLU 98 far 0 88 0 - 8.6-9.2 Violated in 1 structures by 0.00 A. Peak 11406 from cnoeabs.peaks (0.88, 2.40, 33.72 ppm; 5.67 A increased from 5.34 A): 1 out of 11 assignments used, quality = 0.42: QD2 LEU 38 + HG3 GLN 62 OK 42 82 100 51 5.0-5.6 11252/11046=38, 9671/7609=20 QD2 LEU 38 - HG2 GLN 62 far 0 78 0 - 5.9-6.9 QD2 LEU 90 - HG3 GLN 85 far 0 100 0 - 6.5-7.9 QD2 LEU 90 - HG2 GLN 85 far 0 99 0 - 6.5-8.2 QG1 VAL 32 - HG3 GLN 62 far 0 76 0 - 6.8-8.0 QG2 VAL 107 - HG3 GLN 85 far 0 90 0 - 6.9-10.2 QG2 VAL 107 - HG2 GLN 85 far 0 89 0 - 6.9-9.8 QG1 VAL 32 - HG2 GLN 62 far 0 73 0 - 7.9-9.0 QG2 VAL 117 - HG2 GLN 122 far 0 61 0 - 8.5-11.0 QG2 THR 9 - HG2 GLN 85 far 0 73 0 - 9.2-12.7 QG2 THR 9 - HG3 GLN 85 far 0 73 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 11407 from cnoeabs.peaks (0.75, 2.40, 33.72 ppm; 6.20 A increased from 5.34 A): 1 out of 10 assignments used, quality = 0.67: QD1 LEU 63 + HG3 GLN 62 OK 67 79 90 93 5.3-6.5 4.7/7609=70, 9665/5.2=55...(4) QD1 LEU 63 - HG2 GLN 62 poor 19 76 25 - 6.1-7.2 QD2 LEU 14 - HG3 GLN 85 far 0 90 0 - 6.7-10.4 QD2 LEU 14 - HG2 GLN 85 far 0 89 0 - 6.8-10.0 QG1 VAL 107 - HG3 GLN 85 far 0 90 0 - 6.9-10.0 QG1 VAL 107 - HG2 GLN 85 far 0 89 0 - 7.2-9.5 QG2 VAL 32 - HG3 GLN 62 far 0 79 0 - 9.0-10.0 QD2 LEU 6 - HG3 GLN 62 far 0 60 0 - 9.0-9.8 QD2 LEU 6 - HG2 GLN 62 far 0 57 0 - 9.7-10.9 QD1 ILE 7 - HG2 GLN 122 far 0 58 0 - 9.7-12.2 Violated in 4 structures by 0.02 A. Peak 11409 from cnoeabs.peaks (1.26, 2.04, 29.57 ppm; 5.29 A increased from 4.71 A): 2 out of 2 assignments used, quality = 0.75: QG2 THR 108 + HB3 GLN 85 OK 54 64 85 100 4.2-5.6 10030/3.0=87...(5) QG2 THR 108 + HB3 GLU 87 OK 47 94 50 99 4.7-5.6 10326/5718=82...(5) 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 = 0.98: QG2 THR 108 + HA GLU 87 OK 98 99 100 99 4.4-5.1 10326/5722=81...(5) Violated in 0 structures by 0.00 A. Peak 11411 from cnoeabs.peaks (4.33, 0.88, 22.01 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.99: HA GLU 98 + QG2 VAL 104 OK 99 99 100 100 2.5-3.2 10161=98, 3.0/11510=73...(7) HA SER 99 - QG2 VAL 104 far 0 87 0 - 6.5-7.2 HA PHE 93 - QG2 VAL 104 far 0 94 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 11414 from cnoeabs.peaks (7.12, 1.86, 32.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.70: QE PHE 120 + HB2 ARG 105 OK 70 70 100 100 3.6-4.9 10254/3.0=81, ~4714=80...(11) 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 2.0-3.4 10272/1.8=84...(12) Violated in 0 structures by 0.00 A. Peak 11416 from cnoeabs.peaks (0.67, 2.11, 35.31 ppm; 3.58 A increased from 3.37 A): 2 out of 7 assignments used, quality = 0.92: QD2 LEU 114 + HG3 GLU 21 OK 89 100 90 99 2.5-5.1 10447=95, 10446/3.0=45...(9) QD1 ILE 116 + HB VAL 107 OK 23 68 35 96 3.4-3.8 10498=56, 11417/2.1=55...(11) QD2 LEU 114 - HG2 GLU 21 far 5 100 5 - 2.6-4.5 QD1 LEU 55 - HG3 GLU 21 far 0 80 0 - 4.9-8.1 QD1 LEU 55 - HG2 GLU 21 far 0 81 0 - 6.1-8.2 QD2 LEU 114 - HB VAL 107 far 0 79 0 - 7.3-8.1 QD1 ILE 116 - HG3 GLU 21 far 0 91 0 - 8.9-10.9 Violated in 1 structures by 0.00 A. Peak 11417 from cnoeabs.peaks (0.67, 0.87, 20.76 ppm; 4.06 A increased from 3.42 A): 1 out of 3 assignments used, quality = 0.97: QD1 ILE 116 + QG2 VAL 107 OK 97 98 100 99 3.2-3.9 10498/2.1=69...(13) QD2 LEU 114 - QG2 VAL 107 far 0 99 0 - 5.2-5.7 QD1 LEU 55 - QG2 VAL 107 far 0 92 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 11419 from cnoeabs.peaks (0.86, 2.68, 40.30 ppm; 4.27 A increased from 4.02 A): 1 out of 5 assignments used, quality = 1.00: QD1 LEU 14 + HB3 ASP 110 OK 100 100 100 100 3.2-4.0 10910/1.8=85, 10911=79...(12) QG2 VAL 107 - HB3 ASP 110 far 0 96 0 - 5.6-6.5 QG2 THR 9 - HB3 ASP 110 far 0 100 0 - 7.1-9.1 QG2 VAL 117 - HB3 ASP 110 far 0 99 0 - 9.2-10.0 QG2 ILE 15 - HB3 ASP 110 far 0 84 0 - 10.0-11.3 Violated in 0 structures by 0.00 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 2.1-3.9 2.1/11419=89...(11) QG1 VAL 107 - HB3 ASP 110 far 0 61 0 - 6.8-7.9 QD1 ILE 15 - HB3 ASP 110 far 0 65 0 - 9.0-11.0 QD1 LEU 81 - HB3 ASP 110 far 0 97 0 - 9.1-10.3 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 = 0.99: QD1 LEU 114 + HA GLU 111 OK 99 99 100 100 2.0-3.0 10441=92, 2.1/11192=72...(9) QD1 LEU 81 - HA GLU 111 far 0 90 0 - 8.9-9.3 Violated in 0 structures by 0.00 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 3.6-4.3 2.1/11192=90...(8) QD1 ILE 116 - HA GLU 111 far 0 90 0 - 7.6-8.4 Violated in 0 structures by 0.00 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 2.0-3.3 11425/1.8=80...(4) Violated in 0 structures by 0.00 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 2.1-2.8 11424/1.8=72...(4) Violated in 0 structures by 0.00 A. Peak 11427 from cnoeabs.peaks (4.05, 1.88, 27.31 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.67: HA GLU 92 + HG2 ARG 95 OK 67 77 100 87 2.3-3.8 2159/1631=54...(6) HA LYS 96 - HG2 ARG 95 far 10 65 15 - 4.4-6.3 HA GLU 87 - HG2 ARG 95 far 0 87 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 11429 from cnoeabs.peaks (1.82, 2.52, 33.39 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.97: QE MET 121 + HG3 GLN 25 OK 97 98 100 99 1.9-3.9 10597=83, 11448/1.8=68...(6) QE MET 121 - HG3 GLN 122 far 0 88 0 - 5.2-8.4 HD2 LYS 123 - HG3 GLN 122 far 0 52 0 - 5.4-8.1 HG12 ILE 5 - HG3 GLN 25 far 0 70 0 - 6.5-9.7 HB ILE 3 - HG3 GLN 25 far 0 65 0 - 8.7-11.9 HB ILE 18 - HG3 GLN 25 far 0 100 0 - 9.5-13.0 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 2.4-3.0 3.0=100 HG3 GLN 122 - HB3 GLN 25 far 0 81 0 - 7.4-10.9 Violated in 0 structures by 0.00 A. Peak 11433 from cnoeabs.peaks (2.37, 2.81, 29.02 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.87: HG2 GLN 25 + HB3 GLN 25 OK 87 87 100 100 2.2-3.0 3.0=100 HB3 TYR 27 - HB3 GLN 25 poor 20 100 20 - 4.1-5.3 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 - 6.8-12.5 HG2 GLU 128 - HB3 GLN 25 far 0 99 0 - 8.2-12.9 Violated in 0 structures by 0.00 A. Peak 11435 from cnoeabs.peaks (2.38, 2.02, 29.02 ppm; 3.17 A): 1 out of 2 assignments used, quality = 0.97: HG2 GLN 25 + HB2 GLN 25 OK 97 97 100 100 2.4-2.7 3.0=100 HB3 TYR 27 - HB2 GLN 25 far 10 99 10 - 3.2-4.3 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 - 8.1-12.2 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 2.3-2.7 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 2.0-3.3 4571/1.8=98, 4578=90...(11) QD PHE 120 - HB3 GLN 25 far 0 97 0 - 9.2-10.6 Violated in 0 structures by 0.00 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 1.9-3.9 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 2.0-3.7 2.2/4578=89, ~4571=86...(8) Violated in 0 structures by 0.00 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 2.7-4.6 2.2/4571=100...(7) Violated in 0 structures by 0.00 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 2.1-3.6 4571=100, 4578/1.8=98...(10) QD PHE 120 - HB2 GLN 25 far 0 100 0 - 9.4-10.6 Violated in 0 structures by 0.00 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 2.2-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 11446 from cnoeabs.peaks (4.11, 2.81, 29.02 ppm; 6.15 A increased from 5.47 A): 1 out of 1 assignment used, quality = 0.22: HA3 GLY 26 + HB3 GLN 25 OK 22 73 100 30 4.7-6.1 4577/4578=29 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 4 assignments used, quality = 0.97: QE MET 121 + HG2 GLN 25 OK 97 98 100 99 2.0-3.6 10597/1.8=88...(7) HG12 ILE 5 - HG2 GLN 25 far 0 70 0 - 6.6-9.5 HB ILE 3 - HG2 GLN 25 far 0 65 0 - 9.3-12.6 HB ILE 18 - HG2 GLN 25 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 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 0 73 0 - 5.1-5.8 Violated in 20 structures by 1.95 A. Peak 11450 from cnoeabs.peaks (2.02, 4.13, 62.80 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.77: HB2 GLN 25 + HA VAL 22 OK 77 100 100 77 2.4-3.6 3.0/11521=34...(5) HB2 GLU 66 - HB3 SER 72 far 0 50 0 - 9.6-10.2 Violated in 1 structures by 0.00 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 3.3-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 11454 from cnoeabs.peaks (2.06, 0.93, 20.69 ppm; 4.27 A increased from 4.02 A): 1 out of 7 assignments used, quality = 0.94: HB2 LYS 94 + QG1 VAL 104 OK 94 94 100 100 2.3-4.1 1.8/10226=88...(9) HB3 GLU 98 - QG1 VAL 104 far 0 96 0 - 5.5-6.0 HB3 GLU 91 - QG1 VAL 104 far 0 96 0 - 6.9-7.6 HB3 GLN 100 - QG1 VAL 104 far 0 84 0 - 7.1-9.0 HB3 PHE 79 - QG1 VAL 104 far 0 81 0 - 7.9-8.4 HB2 GLU 92 - QG1 VAL 104 far 0 96 0 - 8.3-9.4 HB3 MET 67 - QG1 VAL 104 far 0 87 0 - 10.0-10.9 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 = 0.86: HB2 GLU 98 + QG1 VAL 104 OK 86 87 100 100 4.1-4.5 11404/2.1=82...(8) Violated in 4 structures by 0.00 A. Peak 11456 from cnoeabs.peaks (1.58, 2.12, 35.23 ppm; 6.20 A): 1 out of 11 assignments used, quality = 1.00: HG12 ILE 116 + HB VAL 107 OK 100 100 100 100 2.3-4.1 ~11417=88, ~11186=75...(11) HG3 LYS 19 - HG3 GLU 21 far 0 49 0 - 6.8-10.9 HG3 LYS 19 - HG2 GLU 21 far 0 57 0 - 7.3-10.0 HG LEU 55 - HG3 GLU 21 far 0 44 0 - 8.0-11.9 HD3 LYS 19 - HG3 GLU 21 far 0 54 0 - 8.5-11.8 HG LEU 82 - HB VAL 107 far 0 73 0 - 8.6-9.0 HD3 LYS 19 - HG2 GLU 21 far 0 63 0 - 8.6-11.4 HD2 LYS 19 - HG2 GLU 21 far 0 63 0 - 9.0-11.3 HD2 LYS 19 - HG3 GLU 21 far 0 54 0 - 9.1-11.8 HG12 ILE 116 - HG3 GLU 21 far 0 70 0 - 9.2-12.7 HG LEU 55 - HG2 GLU 21 far 0 51 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11457 from cnoeabs.peaks (1.33, 0.87, 20.76 ppm; 5.29 A increased from 4.45 A): 1 out of 2 assignments used, quality = 0.77: HG LEU 81 + QG2 VAL 107 OK 77 87 90 99 4.9-5.5 11458/2.1=85, ~11607=81...(4) HG3 LYS 94 - QG2 VAL 107 far 0 84 0 - 9.2-11.4 Violated in 3 structures by 0.02 A. Peak 11458 from cnoeabs.peaks (1.34, 0.76, 21.72 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.88: HG LEU 81 + QG1 VAL 107 OK 88 100 100 88 2.6-3.4 ~11607=50, 11638=35...(5) HB3 LEU 81 - QG1 VAL 107 far 0 84 0 - 4.9-5.2 Violated in 0 structures by 0.00 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 - 6.7-7.4 HB ILE 7 - QG2 VAL 107 far 0 81 0 - 8.4-9.1 HB3 LYS 17 - QG2 VAL 107 far 0 73 0 - 8.5-9.0 Violated in 20 structures by 1.73 A. Peak 11460 from cnoeabs.peaks (1.79, 0.87, 20.76 ppm; 4.99 A): 0 out of 3 assignments used, quality = 0.00: HG2 ARG 105 - QG2 VAL 107 far 0 65 0 - 5.2-7.7 HB2 LEU 90 - QG2 VAL 107 far 0 90 0 - 8.8-9.4 HB2 ARG 118 - QG2 VAL 107 far 0 87 0 - 10.0-10.8 Violated in 20 structures by 1.58 A. Peak 11462 from cnoeabs.peaks (2.85, 2.29, 36.01 ppm; 4.40 A): 0 out of 3 assignments used, quality = 0.00: HE2 LYS 17 - HG2 GLU 111 lone 3 100 25 11 3.7-7.7 2881/3.9=10 HB2 ASN 88 - HG3 GLU 87 far 0 89 0 - 5.5-5.5 HB2 ASN 88 - HG2 GLU 87 far 0 89 0 - 6.6-6.7 Violated in 13 structures by 0.31 A. Peak 11463 from cnoeabs.peaks (1.65, 4.00, 58.75 ppm; 3.97 A increased from 3.53 A): 1 out of 3 assignments used, quality = 0.95: HD2 LYS 115 + HA GLU 112 OK 95 98 100 96 3.1-3.9 10461=59, 2.9/10462=54...(10) HD3 LYS 115 - HA GLU 112 far 0 94 0 - 4.3-5.5 HG LEU 114 - HA GLU 112 far 0 100 0 - 4.9-5.6 Violated in 0 structures by 0.00 A. Peak 11464 from cnoeabs.peaks (0.78, 2.34, 36.01 ppm; 5.22 A increased from 4.17 A): 2 out of 8 assignments used, quality = 0.83: QG1 VAL 107 + HG2 GLU 112 OK 69 84 85 96 4.2-6.0 11063/3.0=66...(8) QG1 VAL 107 + HG3 GLU 112 OK 44 84 55 96 4.2-5.9 11063/3.0=66...(8) QD1 LEU 81 - HG3 GLU 112 poor 10 84 50 23 4.6-7.0 10493/10907=23 QD1 LEU 81 - HG2 GLU 112 poor 8 84 40 24 4.7-7.2 10493/10907=23 QD2 LEU 14 - HG2 GLU 112 far 0 84 0 - 6.8-8.5 QD2 LEU 14 - HG3 GLU 112 far 0 84 0 - 7.8-9.0 QD1 ILE 7 - HG3 GLU 112 far 0 94 0 - 8.6-11.2 QD1 ILE 7 - HG2 GLU 112 far 0 94 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 11465 from cnoeabs.peaks (0.87, 2.34, 36.01 ppm; 4.09 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 107 + HG2 GLU 112 OK 97 100 100 97 1.9-3.5 11021=40, 11021/1.8=35...(15) QG2 VAL 107 + HG3 GLU 112 OK 97 100 100 97 2.0-3.5 11021=41, 10399/4.9=35...(15) QD1 LEU 14 - HG2 GLU 112 far 0 94 0 - 6.0-7.5 QG2 VAL 117 - HG3 GLU 112 far 0 100 0 - 6.2-9.2 QG2 VAL 117 - HG2 GLU 112 far 0 100 0 - 6.4-8.8 QD1 LEU 14 - HG3 GLU 112 far 0 94 0 - 6.5-7.7 QD2 LEU 90 - HG2 GLU 112 far 0 80 0 - 7.5-9.5 QD2 LEU 90 - HG3 GLU 112 far 0 81 0 - 8.2-9.6 QG2 THR 9 - HG2 GLU 112 far 0 99 0 - 9.4-11.0 QG2 THR 9 - HG3 GLU 112 far 0 99 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11466 from cnoeabs.peaks (4.01, 1.65, 26.77 ppm; 5.55 A increased from 4.93 A): 1 out of 4 assignments used, quality = 0.84: HA GLU 112 + HG LEU 114 OK 84 90 100 93 4.9-5.6 3.0/10397=76...(3) HA LYS 17 - HG LEU 114 far 0 73 0 - 7.0-7.5 HA GLU 66 - HG LEU 64 far 0 50 0 - 7.6-7.7 HA GLU 13 - HG LEU 114 far 0 65 0 - 8.9-9.6 Violated in 1 structures by 0.00 A. Peak 11467 from cnoeabs.peaks (2.31, 1.66, 29.55 ppm; 4.13 A): 0 out of 0 assignments used, quality = 0.00: Peak 11468 from cnoeabs.peaks (2.40, 1.66, 29.55 ppm; 4.28 A): 0 out of 8 assignments used, quality = 0.00: HG2 GLN 62 - HD3 LYS 65 poor 9 83 30 35 3.6-7.8 3.5/11595=35 HG3 GLN 62 - HD3 LYS 65 far 0 85 0 - 4.4-7.3 HG2 GLU 66 - HD3 LYS 65 far 0 83 0 - 4.6-7.1 HG2 GLN 62 - HD2 LYS 65 far 0 87 0 - 5.1-9.3 HG2 GLU 66 - HD2 LYS 65 far 0 87 0 - 5.7-7.4 HG3 GLN 62 - HD2 LYS 65 far 0 90 0 - 6.0-8.2 HG2 GLN 122 - HD3 LYS 115 far 0 98 0 - 9.7-13.0 HB2 ASP 110 - HD2 LYS 115 far 0 81 0 - 9.9-11.8 Violated in 13 structures by 0.38 A. Peak 11469 from cnoeabs.peaks (2.94, 2.12, 28.96 ppm; 6.20 A increased from 6.04 A): 1 out of 9 assignments used, quality = 0.46: HE3 LYS 106 + HB2 GLU 91 OK 46 64 100 72 5.1-6.1 10077/1599=57, ~11540=28 HE2 LYS 96 - HB3 GLU 92 lone 1 75 50 2 3.5-10.3 HE3 LYS 96 - HB3 GLU 92 lone 1 75 45 2 3.5-9.6 HE2 LYS 106 - HB2 GLU 91 far 0 67 0 - 6.4-7.7 HE2 LYS 96 - HB2 GLU 91 far 0 83 0 - 7.5-13.8 HE3 LYS 96 - HB2 GLU 91 far 0 83 0 - 7.7-13.5 HB2 ASP 86 - HB2 GLU 91 far 0 76 0 - 8.2-8.8 HB2 ASP 86 - HB3 GLU 92 far 0 68 0 - 9.3-9.8 HE3 LYS 106 - HB3 GLU 92 far 0 57 0 - 9.8-11.2 Violated in 0 structures by 0.00 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 2.0-4.1 1.8/7128=92...(7) QE MET 121 - HA PHE 120 far 0 81 0 - 6.3-6.9 HG LEU 127 - HA PHE 120 far 0 81 0 - 7.2-8.4 HB2 LYS 77 - HA PHE 120 far 0 100 0 - 7.9-10.7 HB2 ARG 105 - HA PHE 120 far 0 84 0 - 8.1-9.7 HB3 LYS 77 - HA PHE 120 far 0 100 0 - 8.5-9.8 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 1.9-2.4 11287=88, 1.8/11289=78...(11) 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 = 0.95: HG2 LYS 77 + QD2 LEU 127 OK 95 96 100 100 2.9-4.4 11471/2.1=86, ~11289=66...(8) Violated in 0 structures by 0.00 A. Peak 11473 from cnoeabs.peaks (0.78, 1.99, 33.06 ppm; 4.29 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 14 - HB2 LYS 17 far 0 87 0 - 5.2-5.8 QD1 ILE 15 - HB2 LYS 17 far 0 90 0 - 7.1-8.9 QD1 ILE 7 - HB2 LYS 17 far 0 96 0 - 8.2-8.6 QG1 VAL 107 - HB2 LYS 17 far 0 87 0 - 9.0-9.8 Violated in 20 structures by 1.11 A. Peak 11474 from cnoeabs.peaks (0.85, 1.99, 33.06 ppm; 4.40 A): 1 out of 7 assignments used, quality = 0.86: QD1 LEU 14 + HB2 LYS 17 OK 86 87 100 99 3.6-4.3 11476/1.8=87...(4) QG2 VAL 117 - HB2 LYS 17 far 0 65 0 - 6.9-7.5 QG2 VAL 22 - HB2 LYS 17 far 0 97 0 - 7.3-7.7 QG2 THR 9 - HB2 LYS 17 far 0 73 0 - 7.3-7.8 QG2 ILE 15 - HB2 LYS 17 far 0 100 0 - 7.4-7.7 QG2 ILE 57 - HB2 LYS 17 far 0 97 0 - 8.5-9.2 HG13 ILE 57 - HB2 LYS 17 far 0 87 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 11475 from cnoeabs.peaks (0.78, 1.92, 33.06 ppm; 3.87 A): 0 out of 2 assignments used, quality = 0.00: QD1 ILE 7 - HB3 LYS 17 far 0 70 0 - 7.8-8.1 QG1 VAL 29 - HB3 LYS 17 far 0 73 0 - 8.9-9.2 Violated in 20 structures by 3.57 A. Peak 11476 from cnoeabs.peaks (0.85, 1.92, 33.06 ppm; 4.00 A): 1 out of 7 assignments used, quality = 0.85: QD1 LEU 14 + HB3 LYS 17 OK 85 87 100 97 3.1-3.4 11474/1.8=65...(6) QG2 THR 9 - HB3 LYS 17 far 0 73 0 - 6.1-6.5 QG2 ILE 15 - HB3 LYS 17 far 0 100 0 - 6.2-6.6 QG2 VAL 117 - HB3 LYS 17 far 0 65 0 - 6.6-7.4 QG2 VAL 22 - HB3 LYS 17 far 0 97 0 - 7.2-7.8 QG2 ILE 57 - HB3 LYS 17 far 0 97 0 - 7.4-8.1 HG13 ILE 57 - HB3 LYS 17 far 0 87 0 - 8.8-9.9 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 = 0.97: QD2 LEU 14 + HD2 LYS 17 OK 97 99 100 98 3.1-3.9 2.1/11478=76...(6) QD1 ILE 15 - HD2 LYS 17 far 0 100 0 - 6.4-8.4 QG1 VAL 107 - HD2 LYS 17 far 0 99 0 - 8.4-9.2 QD1 ILE 7 - HD2 LYS 17 far 0 100 0 - 9.1-9.5 Violated in 0 structures by 0.00 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 2.7-3.1 2.1/11477=67...(8) QG2 THR 9 - HD2 LYS 17 far 0 73 0 - 6.7-7.2 QG2 ILE 15 - HD2 LYS 17 far 0 100 0 - 7.4-8.1 QG2 VAL 117 - HD2 LYS 17 far 0 65 0 - 7.7-8.6 QG2 ILE 57 - HD2 LYS 17 far 0 97 0 - 8.7-9.4 QG2 VAL 22 - HD2 LYS 17 far 0 97 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 11479 from cnoeabs.peaks (0.77, 1.52, 29.70 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 14 + HD3 LYS 17 OK 99 99 100 99 4.2-4.6 11477/1.8=90, ~11478=65...(6) QD1 ILE 15 - HD3 LYS 17 far 0 100 0 - 7.5-8.9 QG1 VAL 107 - HD3 LYS 17 far 0 99 0 - 9.7-10.5 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 2 assignments used, quality = 0.00: QG2 ILE 15 - HD3 LYS 17 far 0 96 0 - 8.1-8.7 QG2 ILE 57 - HD3 LYS 17 far 0 100 0 - 9.6-10.3 Violated in 20 structures by 3.82 A. Peak 11481 from cnoeabs.peaks (0.64, 1.78, 30.45 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 54 + HB3 GLN 28 OK 99 100 100 99 1.9-2.9 4407/11484=72...(7) QD1 LEU 4 - HB3 GLN 28 far 0 97 0 - 7.3-8.7 QG1 VAL 22 - HB3 GLN 28 far 0 100 0 - 8.3-8.9 QD1 ILE 5 - HB3 GLN 28 far 0 90 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 11482 from cnoeabs.peaks (0.65, 2.20, 33.72 ppm; 5.32 A): 2 out of 7 assignments used, quality = 0.88: QD1 ILE 54 + HG3 GLN 28 OK 68 70 100 98 2.0-3.5 11483/1.8=72...(6) QD1 ILE 71 + HB2 MET 67 OK 63 63 100 100 4.0-4.5 9779/1.8=93, 9781/3.0=85...(10) QD1 ILE 56 - HG3 GLN 28 far 5 94 5 - 4.6-7.6 QD1 ILE 56 - HB2 MET 67 far 0 55 0 - 5.9-6.3 QD1 LEU 4 - HB2 MET 67 far 0 53 0 - 6.8-7.2 QD1 LEU 4 - HG3 GLN 28 far 0 92 0 - 7.2-9.9 QG1 VAL 22 - HG3 GLN 28 far 0 81 0 - 9.4-10.2 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 = 0.69: QD1 ILE 54 + HG2 GLN 28 OK 69 70 100 99 2.1-3.6 9237/1182=61, 11486=54...(7) QD1 ILE 56 - HG2 GLN 28 far 5 94 5 - 4.7-8.1 QD1 LEU 4 - HG2 GLN 28 far 0 92 0 - 7.9-10.3 QG1 VAL 22 - HG2 GLN 28 far 0 81 0 - 8.3-10.4 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 = 0.98: QG2 ILE 54 + HB3 GLN 28 OK 98 100 100 98 2.6-3.4 4407/11481=68...(9) QD2 LEU 55 - HB3 GLN 28 far 0 84 0 - 6.2-6.7 QD1 LEU 45 - HB3 GLN 28 far 0 99 0 - 7.7-9.1 QG2 VAL 32 - HB3 GLN 28 far 0 81 0 - 8.1-9.2 QD1 ILE 7 - HB3 GLN 28 far 0 65 0 - 9.7-10.2 QD2 LEU 6 - HB3 GLN 28 far 0 81 0 - 9.9-10.6 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 3.7-3.9 2.9/185=96, 3.6/9319=92...(9) 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 2.1-3.6 3.0/11481=78...(7) HB2 GLN 122 - QD1 ILE 5 far 0 62 0 - 7.1-8.0 HB3 GLN 122 - QD1 ILE 5 far 0 62 0 - 7.9-9.0 HG2 GLN 28 - QD1 ILE 5 far 0 66 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 11487 from cnoeabs.peaks (1.81, 0.74, 26.63 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.72: HB ILE 57 + QD2 LEU 55 OK 72 84 95 90 4.0-4.3 2.9/11136=74...(4) HB ILE 18 - QD2 LEU 55 far 0 90 0 - 4.7-5.0 HG12 ILE 5 - QD2 LEU 55 far 0 100 0 - 4.8-5.4 HB2 LEU 14 - QD2 LEU 55 far 0 84 0 - 7.3-7.9 HB ILE 3 - QD2 LEU 55 far 0 99 0 - 8.8-9.5 HB2 ARG 118 - QD2 LEU 55 far 0 90 0 - 10.0-11.3 Violated in 3 structures by 0.01 A. Peak 11488 from cnoeabs.peaks (1.78, 0.74, 25.21 ppm; 3.92 A): 1 out of 9 assignments used, quality = 0.78: HB VAL 32 + QD1 LEU 63 OK 78 100 100 78 2.6-3.5 ~10931=39, ~11260=32...(6) HB2 LEU 64 - QD2 LEU 6 far 0 64 0 - 4.1-4.5 HB VAL 32 - QD2 LEU 6 far 0 84 0 - 5.6-6.3 HB2 LEU 64 - QD1 LEU 63 far 0 84 0 - 6.0-6.2 HB2 LEU 55 - QD2 LEU 6 far 0 58 0 - 7.2-7.6 HB3 GLN 28 - QD1 LEU 45 far 0 32 0 - 7.7-9.1 HB VAL 32 - QD1 LEU 45 far 0 36 0 - 8.4-9.2 HB2 LEU 55 - QD1 LEU 45 far 0 23 0 - 8.5-9.4 HB3 GLN 28 - QD2 LEU 6 far 0 78 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11489 from cnoeabs.peaks (2.44, 0.38, 23.07 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.90: HG3 GLU 69 + QD2 LEU 68 OK 90 99 100 90 6.2-6.3 1457/4.9=85, ~11127=34 HG2 GLN 100 - QD2 LEU 68 poor 19 100 50 38 4.5-7.9 4608/4633=30, 3.5/10825=10 HG3 GLU 98 - QD2 LEU 68 far 0 99 0 - 8.4-9.7 HG3 GLU 41 - QD2 LEU 68 far 0 65 0 - 9.9-12.1 Violated in 20 structures by 0.05 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 3.9-4.3 11620=94, 1.8/11619=90...(17) HG LEU 81 + QG2 ILE 7 OK 99 99 100 100 2.4-2.8 3.0/11619=72...(17) HG2 LYS 94 - QG2 ILE 7 far 0 65 0 - 9.9-12.2 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 2.4-2.8 10102=81, 3.0/10100=72...(8) Violated in 0 structures by 0.00 A. Peak 11492 from cnoeabs.peaks (3.27, 0.82, 23.86 ppm; 6.04 A): 0 out of 0 assignments used, quality = 0.00: Peak 11493 from cnoeabs.peaks (4.04, 0.90, 24.86 ppm; 4.79 A increased from 3.83 A): 1 out of 2 assignments used, quality = 0.96: HA GLU 87 + QD1 LEU 90 OK 96 96 100 100 4.4-4.6 10054/2.1=89...(6) HA GLU 92 - QD1 LEU 90 far 0 90 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 11494 from cnoeabs.peaks (3.21, 4.03, 59.25 ppm; 5.24 A): 2 out of 5 assignments used, quality = 0.91: HD3 ARG 95 + HA GLU 92 OK 70 87 85 95 2.6-5.8 2.9/11427=53...(5) HD2 ARG 95 + HA GLU 92 OK 68 90 80 95 2.9-6.2 2.9/11427=53...(5) HB2 PHE 120 - HA GLU 119 far 0 53 0 - 5.7-5.9 HA ILE 15 - HA GLU 13 far 0 58 0 - 6.3-6.5 HB2 PHE 120 - HA LYS 123 far 0 88 0 - 7.9-8.2 Violated in 2 structures by 0.00 A. Peak 11495 from cnoeabs.peaks (1.44, 1.00, 27.27 ppm; 5.31 A): 0 out of 3 assignments used, quality = 0.00: HG2 LYS 96 - HG12 ILE 97 far 5 100 5 - 5.2-7.2 HG LEU 80 - HG12 ILE 97 far 0 99 0 - 6.3-6.8 HB3 LYS 61 - HG12 ILE 97 far 0 99 0 - 8.5-10.5 Violated in 19 structures by 0.55 A. Peak 11496 from cnoeabs.peaks (0.51, 0.68, 18.75 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 68 + QG2 ILE 97 OK 96 100 100 96 1.8-1.9 11641/3.0=63...(7) 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 2.3-2.6 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 - 9.0-10.4 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 - 6.4-9.9 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 - 5.5-8.2 HG13 ILE 56 - HG2 LYS 2 far 0 92 0 - 8.0-11.7 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 = 0.86: HD3 LYS 2 + HG3 LYS 2 OK 86 96 100 90 2.3-2.6 2.9=87, 4615/4614=11 QD1 ILE 3 - HG3 LYS 2 far 0 100 0 - 5.8-7.5 HG13 ILE 56 - HG3 LYS 2 far 0 92 0 - 8.9-11.9 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 0 81 0 - 6.1-7.9 HD3 LYS 53 - HG3 LYS 2 far 0 99 0 - 7.3-10.3 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 0 99 0 - 4.5-7.3 HD3 LYS 53 - HG2 LYS 2 far 0 81 0 - 7.3-11.0 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 - 7.3-11.0 HG3 LYS 2 - HD3 LYS 53 far 0 63 0 - 7.3-10.3 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 = 0.89: QD2 LEU 45 + HE2 LYS 2 OK 74 81 100 92 2.0-4.1 9437/1.8=53, 9470/3.0=36...(8) QD1 LEU 45 + HE2 LYS 2 OK 56 77 80 91 2.4-5.3 ~9437=50, 2.1/11222=32...(8) QG2 ILE 54 - HE2 LYS 2 far 0 97 0 - 4.6-7.2 QG2 VAL 78 - HE2 LYS 2 far 0 81 0 - 5.4-8.7 QD2 LEU 6 - HE2 LYS 2 far 0 99 0 - 9.0-12.0 QD2 LEU 55 - HE2 LYS 2 far 0 100 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 11506 from cnoeabs.peaks (0.74, 6.71, 118.26 ppm; 4.02 A): 1 out of 8 assignments used, quality = 0.58: QD1 LEU 45 + QE TYR 76 OK 58 59 100 99 3.1-3.6 3.1/4623=63, 9445=43...(12) QG2 VAL 78 - QE TYR 102 far 0 78 0 - 4.1-5.5 QD2 LEU 45 - QE TYR 76 far 0 62 0 - 4.2-5.1 QG2 VAL 78 - QE TYR 76 far 0 62 0 - 5.8-6.2 QD2 LEU 6 - QE TYR 102 far 0 98 0 - 6.5-7.3 QG2 ILE 54 - QE TYR 76 far 0 79 0 - 7.4-8.5 QD1 LEU 45 - QE TYR 102 far 0 75 0 - 8.1-8.6 QD2 LEU 6 - QE TYR 76 far 0 83 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 11507 from cnoeabs.peaks (1.81, 0.93, 20.69 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: HB ILE 97 + QG1 VAL 104 OK 100 100 100 100 3.5-4.1 11508/2.1=82...(10) HB3 ARG 105 - QG1 VAL 104 far 0 97 0 - 4.4-4.8 HG2 ARG 105 - QG1 VAL 104 far 0 99 0 - 5.7-6.4 Violated in 1 structures by 0.00 A. Peak 11508 from cnoeabs.peaks (1.81, 0.88, 22.01 ppm; 3.47 A): 1 out of 8 assignments used, quality = 0.92: HB ILE 97 + QG2 VAL 104 OK 92 98 100 93 2.1-2.8 11507/2.1=51...(9) HB3 ARG 105 - QG2 VAL 104 far 0 100 0 - 5.8-6.1 HB ILE 57 - QG2 VAL 29 far 0 55 0 - 6.1-6.8 HB ILE 18 - QG2 VAL 29 far 0 58 0 - 6.2-6.8 QE MET 121 - QG2 VAL 29 far 0 40 0 - 6.6-7.5 HG2 ARG 105 - QG2 VAL 104 far 0 94 0 - 6.8-7.9 HG12 ILE 5 - QG2 VAL 29 far 0 58 0 - 8.0-8.6 HB2 LEU 14 - QG2 VAL 29 far 0 55 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 11509 from cnoeabs.peaks (1.32, 0.88, 22.01 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.62: HG3 LYS 94 + QG2 VAL 104 OK 62 99 85 74 3.0-4.1 10228/2.1=31, ~10226=29...(6) HB3 LEU 55 - QG2 VAL 29 far 0 62 0 - 4.0-4.8 Violated in 3 structures by 0.06 A. Peak 11510 from cnoeabs.peaks (8.68, 0.88, 22.01 ppm; 3.89 A increased from 3.66 A): 1 out of 1 assignment used, quality = 0.83: H GLU 98 + QG2 VAL 104 OK 83 90 100 93 3.4-3.8 3.0/10161=55...(6) Violated in 0 structures by 0.00 A. Peak 11511 from cnoeabs.peaks (8.69, 0.93, 20.69 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.54: H ARG 105 + QG1 VAL 104 OK 54 61 100 89 2.2-2.9 4.2=53, 664/3.2=29...(6) H GLU 98 - QG1 VAL 104 far 0 73 0 - 4.5-5.0 H ASP 86 - QG1 VAL 104 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 11512 from cnoeabs.peaks (0.69, 1.75, 26.58 ppm; 5.17 A increased from 4.87 A): 1 out of 4 assignments used, quality = 0.92: QD1 ILE 116 + HG3 ARG 105 OK 92 92 100 100 3.0-5.1 10500/1.8=87...(12) QD2 LEU 81 - HG3 ARG 105 poor 15 73 20 - 4.7-6.7 QG2 ILE 97 - HG3 ARG 105 far 0 96 0 - 8.5-10.3 QD2 LEU 114 - HG3 ARG 105 far 0 57 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 11513 from cnoeabs.peaks (0.77, 1.41, 18.60 ppm; 2.94 A): 1 out of 8 assignments used, quality = 0.79: QG1 VAL 107 + QB ALA 113 OK 79 92 90 95 2.0-3.1 2.1/10898=46...(15) QD2 LEU 14 - QB ALA 113 far 0 92 0 - 3.3-3.4 QD1 LEU 81 - QB ALA 113 far 0 73 0 - 3.5-4.3 QD1 ILE 7 - QB ALA 113 far 0 98 0 - 4.6-5.2 QD1 ILE 15 - QB ALA 113 far 0 94 0 - 5.7-7.8 QD1 LEU 80 - QB ALA 113 far 0 100 0 - 7.6-8.2 QD1 LEU 82 - QB ALA 113 far 0 99 0 - 8.1-8.6 QD2 LEU 80 - QB ALA 113 far 0 100 0 - 9.5-9.9 Violated in 2 structures by 0.02 A. Peak 11514 from cnoeabs.peaks (1.52, 0.67, 23.24 ppm; 4.83 A increased from 4.29 A): 1 out of 2 assignments used, quality = 0.99: HD3 LYS 17 + QD2 LEU 114 OK 99 99 100 100 4.3-4.6 1.8/10919=89...(8) HG2 LYS 20 - QD2 LEU 114 far 0 73 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 11515 from cnoeabs.peaks (1.52, 0.81, 24.73 ppm; 3.92 A increased from 3.30 A): 1 out of 8 assignments used, quality = 0.55: HG LEU 6 + QD1 LEU 64 OK 55 63 100 87 3.5-4.0 11537/2.1=77, ~10965=30 HD3 LYS 17 - QD1 LEU 114 far 5 97 5 - 3.8-4.6 HB2 LYS 61 - QD1 LEU 64 far 0 60 0 - 4.7-5.5 HB2 LEU 6 - QD1 LEU 64 far 0 40 0 - 5.0-5.4 HG2 LYS 20 - QD1 LEU 114 far 0 65 0 - 5.2-6.6 HD3 LYS 94 - QD1 LEU 64 far 0 48 0 - 7.9-9.6 HD2 LYS 94 - QD1 LEU 64 far 0 48 0 - 8.6-9.6 HG LEU 38 - QD1 LEU 64 far 0 64 0 - 9.2-9.5 Violated in 3 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 = 0.76: QE MET 121 + HA ARG 118 OK 76 100 100 76 1.9-2.6 7023/8285=34...(5) HD2 LYS 123 - HA ARG 118 far 0 90 0 - 8.1-10.1 HB ILE 18 - HA ARG 118 far 0 90 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 11517 from cnoeabs.peaks (1.43, 0.86, 22.48 ppm; 3.07 A): 1 out of 3 assignments used, quality = 0.70: QB ALA 113 + QD1 LEU 14 OK 70 77 100 91 1.7-1.9 11518/2.1=50, 10418=39...(12) HB3 GLN 83 - QD1 LEU 14 far 0 99 0 - 4.9-5.3 HG3 LYS 17 - QD1 LEU 14 far 0 99 0 - 4.9-5.4 Violated in 0 structures by 0.00 A. Peak 11518 from cnoeabs.peaks (1.42, 0.76, 24.53 ppm; 3.58 A increased from 2.87 A): 1 out of 3 assignments used, quality = 0.80: QB ALA 113 + QD2 LEU 14 OK 80 84 100 95 3.3-3.4 11517/2.1=80...(9) HB3 GLN 83 - QD2 LEU 14 far 0 100 0 - 5.0-5.3 HG3 LYS 17 - QD2 LEU 14 far 0 98 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 11519 from cnoeabs.peaks (1.66, 0.86, 22.48 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.46: HG LEU 114 + QD1 LEU 14 OK 46 98 100 47 2.8-3.4 1746/10442=34...(4) HD2 LYS 115 - QD1 LEU 14 far 0 100 0 - 6.9-9.3 HD3 LYS 115 - QD1 LEU 14 far 0 100 0 - 7.1-10.3 Violated in 0 structures by 0.00 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 97 3.3-3.9 2.1/9247=66...(12) QD1 LEU 114 - HA LYS 19 far 0 84 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 11521 from cnoeabs.peaks (4.12, 2.38, 33.39 ppm; 4.49 A increased from 3.99 A): 1 out of 3 assignments used, quality = 0.92: HA VAL 22 + HG2 GLN 25 OK 92 94 100 98 2.9-4.5 11450/3.0=74...(7) HA GLN 122 - HG2 GLN 25 far 0 87 0 - 5.2-9.5 HA3 GLY 26 - HG2 GLN 25 far 0 100 0 - 6.7-7.7 Violated in 2 structures by 0.00 A. Peak 11522 from cnoeabs.peaks (1.63, 0.97, 13.48 ppm; 4.07 A increased from 3.83 A): 1 out of 3 assignments used, quality = 0.76: HB3 LEU 127 + QD1 ILE 3 OK 76 87 100 88 3.1-4.1 1.8/10654=58...(5) HD3 LYS 77 - QD1 ILE 3 far 0 100 0 - 4.3-6.5 HD2 LYS 77 - QD1 ILE 3 far 0 100 0 - 4.8-6.4 Violated in 1 structures by 0.00 A. Peak 11523 from cnoeabs.peaks (1.85, 0.97, 13.48 ppm; 3.85 A increased from 3.42 A): 2 out of 5 assignments used, quality = 0.96: HG LEU 127 + QD1 ILE 3 OK 80 98 95 86 3.2-4.0 3.0/11522=54...(7) HB3 LYS 77 + QD1 ILE 3 OK 79 90 100 88 2.0-3.8 11691/2.1=46, 11086=39...(6) HB2 LYS 77 - QD1 ILE 3 poor 19 94 20 - 3.4-5.0 HD2 LYS 123 - QD1 ILE 3 far 0 94 0 - 7.6-8.2 QE MET 42 - QD1 ILE 3 far 0 81 0 - 8.4-9.8 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 2.8-3.1 10930/1.8=87...(9) 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 5 assignments used, quality = 1.00: QG2 VAL 32 + HB3 LEU 38 OK 99 99 100 100 3.2-3.9 2.1/10930=83, 9303=67...(9) QD1 LEU 63 + HB3 LEU 38 OK 67 70 100 96 3.3-3.9 ~9684=46, ~10988=37...(10) QD1 LEU 45 - HB3 LEU 38 far 0 99 0 - 7.6-8.6 QG2 ILE 54 - HB3 LEU 38 far 0 87 0 - 8.9-9.8 QD1 LEU 80 - HB3 LEU 38 far 0 70 0 - 9.9-10.6 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 2 assignments used, quality = 1.00: HA LEU 63 + QD2 LEU 38 OK 100 100 100 100 3.6-4.0 11252=96, 4738/10988=58...(13) HB3 SER 72 - QD2 LEU 38 far 0 87 0 - 9.7-10.2 Violated in 0 structures by 0.00 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 96 100 100 96 1.9-2.1 2.1/11529=63, 11378=33...(14) QG2 VAL 78 + HB3 LEU 4 OK 89 100 95 94 3.3-3.6 ~11529=40, 11378=30...(13) QD2 LEU 6 - HB2 LEU 4 far 0 94 0 - 4.5-5.4 QD2 LEU 45 - HB3 LEU 4 far 0 100 0 - 4.8-5.8 QD2 LEU 6 - HB3 LEU 4 far 0 94 0 - 4.8-5.4 QD2 LEU 45 - HB2 LEU 4 far 0 100 0 - 5.6-6.7 QD2 LEU 55 - HB3 LEU 4 far 0 92 0 - 5.8-6.3 QD2 LEU 55 - HB2 LEU 4 far 0 92 0 - 6.7-7.1 QD1 LEU 6 - HB2 LEU 4 far 0 90 0 - 6.8-7.2 QD1 LEU 6 - HB3 LEU 4 far 0 90 0 - 7.2-7.6 QD1 ILE 57 - HB3 LEU 4 far 0 61 0 - 8.5-9.1 QG1 VAL 117 - HB3 LEU 4 far 0 99 0 - 8.5-9.1 QG1 VAL 117 - HB2 LEU 4 far 0 99 0 - 8.8-9.3 QG2 ILE 18 - HB3 LEU 4 far 0 96 0 - 9.4-10.0 QD1 ILE 57 - HB2 LEU 4 far 0 61 0 - 9.4-10.0 QG2 ILE 7 - HB3 LEU 4 far 0 65 0 - 9.7-10.0 QG2 ILE 7 - HB2 LEU 4 far 0 65 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 11529 from cnoeabs.peaks (0.61, 1.44, 45.31 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.92: QG1 VAL 78 + HB2 LEU 4 OK 92 99 100 92 2.6-3.6 9863=57, 2.1/11528=37...(9) QG1 VAL 78 - HB3 LEU 4 far 0 99 0 - 3.8-4.9 QD1 ILE 5 - HB2 LEU 4 far 0 84 0 - 4.8-5.4 QD1 ILE 5 - HB3 LEU 4 far 0 84 0 - 5.3-5.8 Violated in 1 structures by 0.00 A. Peak 11530 from cnoeabs.peaks (0.82, 1.87, 17.86 ppm; 3.52 A increased from 3.31 A): 1 out of 6 assignments used, quality = 0.82: QD1 LEU 74 + QE MET 42 OK 82 100 100 82 2.6-3.5 11277=68, 9819/9426=23...(4) QG2 ILE 71 - QE MET 42 far 10 100 10 - 3.6-4.3 QD2 LEU 74 - QE MET 42 far 0 100 0 - 4.5-5.4 QD1 LEU 64 - QE MET 42 far 0 99 0 - 7.6-8.2 QG1 VAL 29 - QE MET 42 far 0 65 0 - 9.4-10.3 QD2 LEU 82 - QE MET 42 far 0 97 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 11531 from cnoeabs.peaks (0.94, 2.76, 32.47 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.64: QD1 LEU 38 + HG3 MET 42 OK 64 65 100 98 3.8-4.2 2.1/9378=54, 10993=47...(10) HG13 ILE 56 - HG3 MET 42 far 0 81 0 - 5.5-6.9 HD3 LYS 2 - HG3 MET 42 far 0 73 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 11532 from cnoeabs.peaks (0.98, 1.87, 17.86 ppm; 3.88 A increased from 3.65 A): 1 out of 4 assignments used, quality = 0.27: HG13 ILE 56 + QE MET 42 OK 27 65 100 42 3.0-3.7 2.1/9547=33, 10949=13 QD1 LEU 38 - QE MET 42 far 0 81 0 - 4.0-4.8 HD3 LYS 2 - QE MET 42 far 0 73 0 - 5.3-8.0 QD1 ILE 3 - QE MET 42 far 0 97 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 11533 from cnoeabs.peaks (1.69, 0.72, 23.70 ppm; 4.11 A): 0 out of 13 assignments used, quality = 0.00: HD2 LYS 44 - QD2 LEU 45 far 5 94 5 - 3.4-5.9 HD3 LYS 44 - QD2 LEU 45 far 4 90 5 - 2.3-6.6 HB ILE 54 - QD2 LEU 45 lone 0 92 100 1 2.7-4.0 HG12 ILE 71 - QD2 LEU 45 far 0 100 0 - 6.2-7.4 HB ILE 56 - QD2 LEU 45 far 0 100 0 - 6.5-7.7 HG LEU 74 - QD2 LEU 45 far 0 87 0 - 6.7-7.6 HD3 LYS 43 - QD2 LEU 45 far 0 96 0 - 7.7-9.0 HD3 LYS 40 - QD2 LEU 45 far 0 90 0 - 7.8-10.8 HD2 LYS 43 - QD2 LEU 45 far 0 84 0 - 7.9-9.4 HD2 LYS 40 - QD2 LEU 45 far 0 92 0 - 8.5-9.9 HD3 LYS 73 - QD2 LEU 45 far 0 96 0 - 8.9-12.9 HG3 LYS 39 - QD2 LEU 45 far 0 97 0 - 9.4-10.7 HD2 LYS 73 - QD2 LEU 45 far 0 97 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 11534 from cnoeabs.peaks (1.06, 0.86, 27.65 ppm; 4.53 A): 1 out of 3 assignments used, quality = 0.42: QG2 ILE 3 + HG13 ILE 5 OK 42 43 100 97 3.0-3.6 10739/1.8=66...(9) HB2 PHE 79 - HG13 ILE 5 far 0 35 0 - 6.4-7.1 HG2 LYS 2 - HG13 ILE 5 far 0 63 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 11535 from cnoeabs.peaks (1.91, 0.85, 27.65 ppm; 4.58 A): 1 out of 9 assignments used, quality = 0.74: HG2 MET 121 + HG13 ILE 5 OK 74 98 80 94 3.7-6.6 ~10592=57, 10594/2.1=52...(6) HB ILE 7 - HG13 ILE 57 poor 15 35 100 44 3.1-3.8 9080/4.2=23, 9073=11...(4) HB ILE 15 - HG13 ILE 57 far 0 66 0 - 6.6-7.4 HB2 LEU 81 - HG13 ILE 57 far 0 61 0 - 7.3-8.2 HB ILE 7 - HG13 ILE 5 far 0 61 0 - 7.9-8.1 HB3 LYS 123 - HG13 ILE 5 far 0 100 0 - 8.2-10.3 HB2 LEU 81 - HG13 ILE 5 far 0 96 0 - 8.4-8.9 HB3 LYS 17 - HG13 ILE 57 far 0 55 0 - 8.8-9.9 HB2 GLU 128 - HG13 ILE 5 far 0 92 0 - 9.5-11.4 Violated in 4 structures by 0.21 A. Peak 11537 from cnoeabs.peaks (1.65, 1.52, 27.91 ppm; 3.57 A): 1 out of 4 assignments used, quality = 0.71: HG LEU 64 + HG LEU 6 OK 71 97 100 73 3.2-3.5 2.1/11515=58, ~10965=25 HB ILE 5 - HG LEU 6 far 0 100 0 - 8.1-8.3 HD2 LYS 65 - HG LEU 6 far 0 99 0 - 9.4-10.9 HD3 LYS 65 - HG LEU 6 far 0 100 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 11538 from cnoeabs.peaks (2.03, 2.71, 39.04 ppm; 6.20 A increased from 5.89 A): 0 out of 12 assignments used, quality = 0.00: HB2 MET 1 - HB3 ASN 50 far 5 100 5 - 4.1-11.4 HB2 MET 1 - HB2 ASN 50 far 5 100 5 - 5.7-12.0 HB3 GLU 48 - HB2 ASN 50 lone 1 87 75 2 2.8-9.2 HB2 GLU 48 - HB2 ASN 50 lone 1 87 75 2 3.6-9.7 HG3 GLU 52 - HB3 ASN 50 lone 1 73 70 2 3.3-7.9 HB3 GLU 48 - HB3 ASN 50 lone 1 87 55 2 3.5-9.8 HG3 GLU 52 - HB2 ASN 50 lone 1 73 55 2 4.2-8.7 HB2 GLU 48 - HB3 ASN 50 lone 1 87 45 2 4.7-10.3 HG2 GLU 128 - HB3 ASN 50 far 0 81 0 - 7.9-15.9 HG3 GLU 128 - HB3 ASN 50 far 0 81 0 - 8.2-16.4 HG2 GLU 128 - HB2 ASN 50 far 0 80 0 - 9.0-15.2 HG3 GLU 128 - HB2 ASN 50 far 0 80 0 - 9.1-15.0 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 2 assignments used, quality = 0.83: HA GLU 91 + HD3 LYS 106 OK 62 100 95 65 2.7-5.9 ~11469=39, ~10077=34, 6076=12 HA GLU 91 + HD2 LYS 106 OK 56 100 85 66 3.4-6.1 ~11469=39, ~10077=34 Violated in 0 structures by 0.00 A. Peak 11541 from cnoeabs.peaks (8.04, 2.08, 29.19 ppm; 3.99 A): 2 out of 8 assignments used, quality = 0.88: H ASP 109 + HB3 GLU 112 OK 76 100 100 76 2.8-3.8 1721/10358=28...(8) H ASP 109 + HB2 GLU 112 OK 49 100 85 58 3.7-5.0 1721/10358=26...(5) H LYS 65 - HB3 GLU 66 far 0 84 0 - 4.7-5.0 H SER 72 - HB3 GLU 69 far 0 74 0 - 5.0-5.3 H ARG 118 - HB2 GLU 112 far 0 90 0 - 8.4-10.1 H LYS 65 - HB3 GLU 69 far 0 96 0 - 8.7-9.3 H ARG 118 - HB3 GLU 112 far 0 89 0 - 9.0-9.7 H SER 72 - HB3 GLU 66 far 0 61 0 - 9.7-10.1 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 = 0.99: HA LYS 17 + HG2 LYS 20 OK 99 100 100 99 2.5-3.7 2817=85, 11543/1.8=78...(6) HA LEU 14 - HG2 LYS 20 far 0 94 0 - 7.6-8.2 HA GLU 111 - HG2 LYS 20 far 0 98 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 11543 from cnoeabs.peaks (3.99, 1.48, 24.44 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 17 + HG3 LYS 20 OK 98 100 100 98 3.3-4.1 2817/1.8=89...(5) HA LEU 14 - HG3 LYS 20 far 0 94 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 11544 from cnoeabs.peaks (3.99, 1.69, 28.78 ppm; 5.38 A increased from 4.53 A): 2 out of 8 assignments used, quality = 0.95: HA LYS 17 + HD3 LYS 20 OK 93 99 95 99 4.3-6.2 2817/3.0=88...(5) HA LYS 17 + HD2 LYS 20 OK 25 99 25 99 4.9-6.1 2817/3.0=88...(5) HB3 SER 99 - HD2 LYS 96 poor 16 82 20 - 5.1-8.2 HB2 SER 99 - HD2 LYS 96 far 8 82 10 - 5.1-7.7 HB3 SER 99 - HD3 LYS 96 far 0 87 0 - 5.8-9.6 HB2 SER 99 - HD3 LYS 96 far 0 87 0 - 6.1-9.4 HA LEU 14 - HD3 LYS 20 far 0 100 0 - 9.1-10.9 HA LEU 14 - HD2 LYS 20 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 11545 from cnoeabs.peaks (1.94, 0.64, 13.41 ppm; 3.61 A): 1 out of 8 assignments used, quality = 0.56: HB3 GLU 52 + QD1 ILE 54 OK 56 87 100 64 2.7-3.3 11351=37, 1.8/10801=23...(4) HB2 LYS 123 - QD1 ILE 5 far 0 74 0 - 5.6-7.1 HB3 GLU 41 - QD1 ILE 54 far 0 94 0 - 6.5-7.2 HB VAL 29 - QD1 ILE 54 far 0 84 0 - 6.7-7.2 HB2 LEU 127 - QD1 ILE 5 far 0 72 0 - 6.9-8.2 HB2 GLU 41 - QD1 ILE 54 far 0 92 0 - 7.8-8.6 HB3 GLU 128 - QD1 ILE 5 far 0 56 0 - 8.9-10.4 HB3 MET 42 - QD1 ILE 54 far 0 92 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11546 from cnoeabs.peaks (3.78, 0.74, 25.21 ppm; 5.29 A): 3 out of 7 assignments used, quality = 1.00: HB2 SER 58 + QD1 LEU 63 OK 100 100 100 100 4.0-4.6 9632/9649=67...(10) HA LEU 68 + QD2 LEU 6 OK 80 84 100 96 3.9-5.3 4991/9767=87, ~9756=50...(4) HB2 SER 58 + QD2 LEU 6 OK 70 84 100 84 3.4-4.4 11562/2.1=60...(7) HA LYS 65 - QD2 LEU 6 far 0 61 0 - 6.0-6.4 HA LEU 68 - QD1 LEU 45 far 0 36 0 - 6.9-7.7 HA LYS 65 - QD1 LEU 63 far 0 81 0 - 8.7-9.1 HB2 SER 58 - QD1 LEU 45 far 0 36 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 11547 from cnoeabs.peaks (3.77, 0.71, 22.93 ppm; 5.69 A increased from 5.05 A): 1 out of 2 assignments used, quality = 0.86: HB2 SER 58 + QD2 LEU 63 OK 86 97 90 98 5.3-6.0 ~11558=66, 1.8/9605=48...(7) HA LEU 68 - QD2 LEU 63 far 0 98 0 - 8.8-9.7 Violated in 2 structures by 0.02 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 - 6.1-15.0 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): 0 out of 3 assignments used, quality = 0.00: HD3 LYS 77 - QG2 ILE 3 poor 20 99 20 - 3.6-6.8 HD2 LYS 77 - QG2 ILE 3 far 0 99 0 - 4.7-6.4 HB3 LEU 127 - QG2 ILE 3 far 0 98 0 - 5.3-6.5 Violated in 16 structures by 0.47 A. Peak 11554 from cnoeabs.peaks (4.73, 0.68, 25.98 ppm; 5.56 A): 0 out of 3 assignments used, quality = 0.00: HA ARG 30 - QD1 LEU 55 far 0 51 0 - 7.6-8.2 HA ARG 30 - QD2 LEU 4 far 0 97 0 - 8.1-9.0 HA ASN 24 - QD1 LEU 55 far 0 34 0 - 8.2-9.1 Violated in 20 structures by 1.34 A. Peak 11555 from cnoeabs.peaks (3.76, 0.68, 25.98 ppm; 6.17 A): 0 out of 2 assignments used, quality = 0.00: HA LEU 68 - QD2 LEU 4 far 0 77 0 - 8.3-8.9 HB2 SER 58 - QD1 LEU 55 far 0 34 0 - 9.3-10.1 Violated in 20 structures by 1.91 A. Peak 11556 from cnoeabs.peaks (2.65, 0.68, 26.27 ppm; 5.84 A): 2 out of 4 assignments used, quality = 0.90: HB2 TYR 27 + QD1 LEU 55 OK 84 84 100 100 2.5-3.2 2.5/9523=92, ~4583=66...(10) HB2 TYR 76 + QD2 LEU 4 OK 38 38 100 100 4.5-5.0 10732/2.1=94, ~4617=85...(16) HB2 TYR 27 - QD2 LEU 4 far 0 40 0 - 6.1-7.2 HG2 MET 42 - QD2 LEU 4 far 0 52 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 11557 from cnoeabs.peaks (1.25, 0.68, 26.27 ppm; 4.01 A): 2 out of 8 assignments used, quality = 0.61: HG12 ILE 54 + QD2 LEU 4 OK 43 55 100 80 3.3-3.9 1352/11714=40, ~11328=26...(5) HD2 LYS 2 + QD2 LEU 4 OK 32 48 95 70 1.9-4.2 11235/2.1=61...(3) HG13 ILE 7 - QD1 LEU 55 far 0 100 0 - 4.8-5.5 HD3 LYS 53 - QD2 LEU 4 far 0 34 0 - 5.6-7.2 HD3 LYS 53 - QD1 LEU 55 far 0 73 0 - 6.8-9.1 HG12 ILE 54 - QD1 LEU 55 far 0 100 0 - 8.5-8.8 HG13 ILE 7 - QD2 LEU 4 far 0 55 0 - 9.1-9.4 HD2 LYS 2 - QD1 LEU 55 far 0 94 0 - 9.8-12.3 Violated in 0 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 = 0.73: HG SER 58 + QD1 LEU 63 OK 73 76 100 97 2.7-3.5 9630/9649=60...(10) HG SER 58 - QD2 LEU 6 far 0 96 0 - 4.7-6.1 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 = 0.70: H ILE 56 + QD2 LEU 6 OK 70 90 100 79 3.9-4.3 9086/27=49, 9535/3.9=48...(4) H ILE 56 - QD1 LEU 63 far 0 69 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 11560 from cnoeabs.peaks (8.40, 0.71, 25.51 ppm; 6.11 A increased from 5.75 A): 1 out of 1 assignment used, quality = 0.96: H MET 67 + QD1 LEU 6 OK 96 96 100 100 5.5-5.8 410/11564=90...(8) Violated in 0 structures by 0.00 A. Peak 11561 from cnoeabs.peaks (8.61, 0.71, 25.51 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.50: H ASN 8 + QD1 LEU 6 OK 50 57 100 87 3.4-3.7 4.7/28=77, 11384/1540=44 H LEU 80 - QD1 LEU 6 far 0 84 0 - 5.5-6.1 H ILE 71 - QD1 LEU 6 far 0 73 0 - 7.7-8.2 H LYS 94 - QD1 LEU 6 far 0 96 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 11562 from cnoeabs.peaks (3.77, 0.71, 25.51 ppm; 4.24 A increased from 3.99 A): 1 out of 2 assignments used, quality = 0.58: HB2 SER 58 + QD1 LEU 6 OK 58 81 100 73 3.3-4.2 9600=43, 9600/2.1=19...(6) HA LEU 68 - QD1 LEU 6 far 0 84 0 - 5.2-5.7 Violated in 0 structures by 0.00 A. Peak 11563 from cnoeabs.peaks (2.39, 0.71, 25.51 ppm; 5.20 A): 1 out of 3 assignments used, quality = 1.00: HG3 MET 67 + QD1 LEU 6 OK 100 100 100 100 4.4-5.2 9719/2.1=88...(17) HG2 GLU 66 - QD1 LEU 6 far 0 100 0 - 8.3-9.2 HG3 GLN 62 - QD1 LEU 6 far 0 61 0 - 9.0-9.7 Violated in 2 structures by 0.00 A. Peak 11564 from cnoeabs.peaks (2.04, 0.71, 25.51 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.91: HB3 MET 67 + QD1 LEU 6 OK 91 94 100 97 3.9-4.2 3.0/11563=43, ~9713=34...(14) HB2 GLU 66 - QD1 LEU 6 far 0 100 0 - 8.4-8.9 HB3 GLN 100 - QD1 LEU 6 far 0 96 0 - 8.5-9.5 Violated in 3 structures by 0.00 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 2.3-3.2 9767/2.1=47...(8) QD1 ILE 97 - QD1 LEU 6 far 0 92 0 - 4.4-4.9 Violated in 0 structures by 0.00 A. Peak 11566 from cnoeabs.peaks (0.62, 1.51, 44.53 ppm; 5.03 A): 1 out of 3 assignments used, quality = 0.97: QG1 VAL 78 + HB2 LEU 6 OK 97 100 100 97 2.0-2.4 11567/3.0=84...(5) QD1 ILE 5 - HB2 LEU 6 far 0 97 0 - 5.5-5.7 QD1 ILE 18 - HB2 LEU 6 far 0 99 0 - 9.2-9.6 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 = 0.68: QG1 VAL 78 + HG LEU 6 OK 68 100 100 68 3.4-4.0 11566/3.0=41...(4) QD1 ILE 5 - HG LEU 6 far 0 92 0 - 7.5-7.7 QD1 ILE 18 - HG LEU 6 far 0 100 0 - 9.9-10.2 Violated in 2 structures by 0.00 A. Peak 11568 from cnoeabs.peaks (1.48, 0.90, 24.86 ppm; 3.59 A): 1 out of 3 assignments used, quality = 0.66: HG2 LYS 106 + QD1 LEU 90 OK 66 77 100 86 2.0-3.0 10286/2.1=35, ~10288=34...(8) HG12 ILE 7 - QD1 LEU 90 far 0 73 0 - 9.2-9.5 HB3 LEU 6 - QD1 LEU 90 far 0 70 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 11569 from cnoeabs.peaks (2.29, 0.90, 24.86 ppm; 5.45 A increased from 4.59 A): 1 out of 4 assignments used, quality = 0.82: HG3 GLU 91 + QD1 LEU 90 OK 82 100 100 82 5.2-5.2 1602/571=72, ~11129=24 HG2 GLU 87 - QD1 LEU 90 far 0 96 0 - 6.1-6.3 HB3 ASN 8 - QD1 LEU 90 far 0 81 0 - 6.9-7.7 HG3 GLU 87 - QD1 LEU 90 far 0 96 0 - 7.2-7.4 Violated in 0 structures by 0.00 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 2.7-3.6 10025/2.1=44, ~11571=35...(11) Violated in 0 structures by 0.00 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 2.2-2.9 1.8/10025=81, ~11570=63...(11) Violated in 0 structures by 0.00 A. Peak 11572 from cnoeabs.peaks (2.96, 0.90, 24.86 ppm; 5.41 A increased from 4.33 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 106 + QD1 LEU 90 OK 98 99 100 99 3.5-5.5 3.6/11568=89, ~11183=46...(6) HE2 LYS 106 + QD1 LEU 90 OK 92 98 95 99 4.0-5.5 3.6/11568=89...(6) 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 = 1.00: HA GLU 87 + QD2 LEU 90 OK 100 100 100 100 2.7-2.8 10054=99, 8167/3.1=62...(8) HA GLU 92 - QD2 LEU 90 far 0 98 0 - 8.2-8.3 Violated in 0 structures by 0.00 A. Peak 11574 from cnoeabs.peaks (5.58, 0.90, 24.86 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 106 + QD1 LEU 90 OK 100 100 100 100 3.1-3.7 10282/2.1=89...(10) 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 far 0 90 0 - 7.8-8.7 HE22 GLN 83 - QD1 LEU 90 far 0 92 0 - 8.2-9.6 Violated in 20 structures by 2.61 A. Peak 11577 from cnoeabs.peaks (8.21, 0.90, 24.86 ppm; 4.56 A increased from 4.29 A): 1 out of 2 assignments used, quality = 0.98: H ASP 84 + QD1 LEU 90 OK 98 99 100 99 4.0-4.3 10020/2.1=90...(6) H GLU 89 - QD1 LEU 90 far 0 90 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 11578 from cnoeabs.peaks (8.57, 0.88, 24.74 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.85: H VAL 107 + QD2 LEU 90 OK 85 87 100 98 2.8-3.1 1713=61, 3.6/10282=52...(8) 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; 4.13 A increased from 3.89 A): 1 out of 3 assignments used, quality = 0.98: QD1 ILE 18 + HG12 ILE 7 OK 98 100 100 98 3.9-4.0 11581/2.1=90...(3) QD1 ILE 5 - HG12 ILE 7 far 0 81 0 - 5.4-5.9 QG1 VAL 78 - HG12 ILE 7 far 0 99 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 11581 from cnoeabs.peaks (0.61, 0.77, 14.16 ppm; 3.18 A): 1 out of 3 assignments used, quality = 0.86: QD1 ILE 18 + QD1 ILE 7 OK 86 98 100 88 2.3-2.7 11582/2524=48...(5) QD1 ILE 5 - QD1 ILE 7 far 0 70 0 - 4.0-4.4 QG1 VAL 78 - QD1 ILE 7 far 0 96 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 11582 from cnoeabs.peaks (0.61, 0.74, 16.61 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.82: QD1 ILE 18 + QG2 ILE 7 OK 82 98 100 84 2.3-2.6 11581/2524=55...(5) QD1 ILE 5 - QG2 ILE 7 far 0 70 0 - 6.3-6.7 QG1 VAL 78 - QG2 ILE 7 far 0 96 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 11583 from cnoeabs.peaks (0.86, 0.74, 16.61 ppm; 2.93 A): 1 out of 9 assignments used, quality = 0.92: QG2 THR 9 + QG2 ILE 7 OK 92 100 100 92 2.0-2.3 9117=71, 2.1/9108=40...(8) QG2 VAL 117 - QG2 ILE 7 far 10 99 10 - 2.9-3.3 HG13 ILE 57 - QG2 ILE 7 far 0 100 0 - 4.0-4.7 QD1 LEU 14 - QG2 ILE 7 far 0 100 0 - 4.4-4.8 QG2 ILE 15 - QG2 ILE 7 far 0 81 0 - 5.2-6.0 QG2 VAL 107 - QG2 ILE 7 far 0 97 0 - 5.4-5.9 QG2 VAL 22 - QG2 ILE 7 far 0 97 0 - 6.0-7.2 HG13 ILE 5 - QG2 ILE 7 far 0 77 0 - 8.0-8.2 QG1 VAL 32 - QG2 ILE 7 far 0 98 0 - 9.5-10.2 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 = 0.81: QG2 VAL 117 + QD1 ILE 7 OK 81 100 100 81 1.7-1.9 11618/2.1=36...(7) HG13 ILE 57 - QD1 ILE 7 far 0 96 0 - 3.5-4.2 QG2 VAL 22 - QD1 ILE 7 far 0 84 0 - 4.3-5.3 QG2 THR 9 - QD1 ILE 7 far 0 99 0 - 4.5-4.7 QD1 LEU 14 - QD1 ILE 7 far 0 96 0 - 5.5-5.9 QG2 VAL 107 - QD1 ILE 7 far 0 100 0 - 6.8-7.4 QG2 VAL 104 - QD1 ILE 7 far 0 70 0 - 8.2-8.7 QD2 LEU 90 - QD1 ILE 7 far 0 77 0 - 9.6-9.9 QG1 VAL 32 - QD1 ILE 7 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 11585 from cnoeabs.peaks (0.73, 4.74, 60.69 ppm; 4.61 A increased from 3.88 A): 1 out of 7 assignments used, quality = 0.88: QG2 ILE 7 + HA THR 9 OK 88 90 100 99 4.4-4.5 9117/3.2=87, 9108/3.0=68...(6) QD1 LEU 6 - HA THR 9 far 0 65 0 - 7.2-7.5 QG2 ILE 18 - HA THR 9 far 0 77 0 - 8.1-8.8 QD2 LEU 6 - HA THR 9 far 0 100 0 - 8.7-9.5 QD2 LEU 55 - HA THR 9 far 0 100 0 - 9.1-9.5 HG13 ILE 18 - HA THR 9 far 0 99 0 - 9.3-9.8 QG1 VAL 117 - HA THR 9 far 0 87 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 11591 from cnoeabs.peaks (6.99, 6.72, 131.81 ppm; 5.97 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 5 99 5 - 6.1-7.0 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 94 97 100 97 2.0-4.4 4676/3.0=63, 4672/3.4=59...(8) QE PHE 93 + HD2 LYS 65 OK 91 98 95 98 2.0-4.8 4676/3.0=63, 4672/3.4=59...(9) QE PHE 120 - HD2 LYS 115 far 0 97 0 - 8.2-11.5 QE PHE 120 - HD3 LYS 115 far 0 94 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 11595 from cnoeabs.peaks (6.89, 1.65, 29.50 ppm; 5.78 A): 1 out of 2 assignments used, quality = 0.25: HE22 GLN 62 + HD3 LYS 65 OK 25 99 30 86 4.8-9.2 3.5/11468=85 HE22 GLN 62 - HD2 LYS 65 far 5 100 5 - 4.8-9.7 Violated in 14 structures by 1.15 A. Peak 11596 from cnoeabs.peaks (8.71, 1.65, 29.50 ppm; 4.97 A): 0 out of 1 assignment used, quality = 0.00: H ASP 110 - HD2 LYS 115 far 0 67 0 - 9.0-10.9 Violated in 20 structures by 4.98 A. Peak 11597 from cnoeabs.peaks (2.96, 3.80, 59.88 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.94: HD3 ARG 118 + HA LYS 115 OK 94 94 100 100 2.1-4.2 3.7/8264=99...(7) 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 2.0-4.5 1.8/10540=99...(10) Violated in 0 structures by 0.00 A. Peak 11600 from cnoeabs.peaks (8.57, 0.79, 24.93 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.76: H VAL 107 + QD1 LEU 81 OK 76 81 100 95 3.5-4.2 4.0/11607=67...(4) Violated in 0 structures by 0.00 A. Peak 11601 from cnoeabs.peaks (8.11, 0.79, 24.93 ppm; 5.09 A increased from 4.79 A): 1 out of 2 assignments used, quality = 0.94: H VAL 117 + QD1 LEU 81 OK 94 94 100 100 4.6-5.1 1770/2.1=90...(8) H ALA 113 - QD1 LEU 81 far 0 98 0 - 5.4-5.8 Violated in 1 structures by 0.00 A. Peak 11602 from cnoeabs.peaks (8.02, 0.79, 24.93 ppm; 5.02 A increased from 4.72 A): 1 out of 3 assignments used, quality = 0.77: H ILE 116 + QD1 LEU 81 OK 77 77 100 100 4.6-4.7 3.9/11637=89...(7) H ARG 118 - QD1 LEU 81 far 0 97 0 - 6.7-7.1 H ASP 109 - QD1 LEU 81 far 0 70 0 - 6.7-7.2 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 2.6-3.4 2.2/4716=61, 4727/3.1=60...(16) QE PHE 93 - QD1 LEU 81 far 0 100 0 - 8.5-9.0 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 2.9-3.8 9981/2.1=90, 2.2/4667=87...(8) QE PHE 120 - QD1 LEU 82 far 0 77 0 - 7.6-8.1 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 4.0-4.7 9930/2.1=76, 9929/3.1=67...(16) Violated in 0 structures by 0.00 A. Peak 11606 from cnoeabs.peaks (3.79, 0.79, 24.93 ppm; 3.83 A increased from 3.60 A): 1 out of 2 assignments used, quality = 0.82: HA ALA 113 + QD1 LEU 81 OK 82 87 100 95 3.2-3.6 9956/2.1=68, ~10419=46...(7) HA LYS 115 - QD1 LEU 81 far 0 87 0 - 7.5-7.7 Violated in 0 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 = 0.63: HB VAL 107 + QD1 LEU 81 OK 63 77 100 81 2.6-3.3 11635/2.1=32, ~11458=29...(7) HB2 GLU 112 - QD1 LEU 81 far 0 70 0 - 4.7-7.5 HG3 GLN 83 - QD1 LEU 81 far 0 73 0 - 4.7-5.7 HB3 GLU 112 - QD1 LEU 81 far 0 65 0 - 5.2-6.2 HB2 GLU 119 - QD1 LEU 81 far 0 73 0 - 6.4-7.6 HB2 GLU 103 - QD1 LEU 81 far 0 81 0 - 7.1-8.4 HB3 GLU 119 - QD1 LEU 81 far 0 84 0 - 7.7-8.3 HB2 GLU 111 - QD1 LEU 81 far 0 100 0 - 9.5-10.7 HG3 GLU 21 - QD1 LEU 81 far 0 100 0 - 9.6-11.6 HB2 GLU 21 - QD1 LEU 81 far 0 77 0 - 9.7-10.4 HG2 GLU 21 - QD1 LEU 81 far 0 99 0 - 10.0-11.6 Violated in 1 structures by 0.00 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 - 7.5-7.9 QD2 LEU 68 - QD1 LEU 81 far 0 98 0 - 7.6-7.9 Violated in 20 structures by 3.54 A. Peak 11609 from cnoeabs.peaks (2.40, 0.73, 25.37 ppm; 5.89 A): 2 out of 8 assignments used, quality = 1.00: HG3 MET 67 + QD2 LEU 6 OK 100 100 100 100 2.0-3.1 3.0/11610=93, 9719=82...(16) HG3 GLN 62 + QD1 LEU 63 OK 32 58 60 92 5.3-6.5 7609/1414=57, 11407=49...(4) HG2 GLN 62 - QD1 LEU 63 far 0 55 0 - 6.1-7.2 HG2 GLU 66 - QD1 LEU 63 far 0 79 0 - 6.4-7.5 HG3 MET 67 - QD1 LEU 63 far 0 83 0 - 6.6-8.3 HG2 GLU 66 - QD2 LEU 6 far 0 98 0 - 8.1-8.9 HG3 GLN 62 - QD2 LEU 6 far 0 77 0 - 9.0-9.8 HG2 GLN 62 - QD2 LEU 6 far 0 73 0 - 9.7-10.9 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 7 assignments used, quality = 0.92: HB3 MET 67 + QD2 LEU 6 OK 92 94 100 98 2.3-2.9 3.0/9719=46...(13) HB3 PHE 79 - QD2 LEU 6 far 0 70 0 - 6.6-7.1 HB3 MET 67 - QD1 LEU 63 far 0 74 0 - 6.8-7.5 HB2 GLU 66 - QD1 LEU 63 far 0 48 0 - 6.8-7.2 HB2 GLU 66 - QD2 LEU 6 far 0 65 0 - 7.4-8.0 HB3 GLN 100 - QD2 LEU 6 far 0 92 0 - 9.4-10.4 HB2 GLN 28 - QD2 LEU 6 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 11611 from cnoeabs.peaks (1.66, 0.73, 25.37 ppm; 3.16 A): 0 out of 9 assignments used, quality = 0.00: HG LEU 64 - QD2 LEU 6 far 0 81 0 - 3.8-4.0 HB ILE 5 - QD2 LEU 6 far 0 92 0 - 5.8-6.0 HB2 ARG 30 - QD2 LEU 6 far 0 100 0 - 7.0-8.1 HG LEU 64 - QD1 LEU 63 far 0 61 0 - 7.8-8.0 HB2 ARG 30 - QD1 LEU 63 far 0 83 0 - 7.9-8.8 HD3 LYS 65 - QD1 LEU 63 far 0 81 0 - 8.1-10.0 HD2 LYS 65 - QD1 LEU 63 far 0 83 0 - 8.6-11.1 HD3 LYS 65 - QD2 LEU 6 far 0 99 0 - 8.9-9.6 HD2 LYS 65 - QD2 LEU 6 far 0 100 0 - 9.1-10.1 Violated in 20 structures by 0.69 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 2.6-3.3 27=100, 28/2.1=96...(9) H ILE 7 - QD1 LEU 63 far 0 84 0 - 8.5-9.1 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 2.2-3.9 3.8=100 H LYS 115 - HG3 ARG 105 far 0 94 0 - 8.6-11.7 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 2.4-4.0 3.8=100 H LYS 115 - HG2 ARG 105 far 0 99 0 - 8.0-10.2 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 3.9-4.3 1.8/11616=100, 9953=100...(13) HG LEU 81 + HA ILE 7 OK 96 96 100 100 3.6-4.1 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 1 assignment used, quality = 0.98: HB2 LEU 81 + HA ILE 7 OK 98 98 100 100 2.3-2.7 11619/3.2=72, 9952=70...(13) 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 5 assignments used, quality = 0.41: HG LEU 55 + QD1 ILE 7 OK 41 100 100 41 3.2-3.8 11247/2698=34, 2.1/2524=11 HG12 ILE 116 - QD1 ILE 7 far 0 77 0 - 6.9-7.6 HG2 LYS 115 - QD1 ILE 7 far 0 96 0 - 8.9-9.7 HB VAL 78 - QD1 ILE 7 far 0 87 0 - 9.0-9.5 HG LEU 68 - QD1 ILE 7 far 0 61 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 11618 from cnoeabs.peaks (0.87, 1.25, 27.10 ppm; 3.90 A increased from 3.47 A): 1 out of 7 assignments used, quality = 0.98: QG2 VAL 117 + HG13 ILE 7 OK 98 100 100 98 3.6-3.9 11584/2.1=92, ~9076=31...(6) HG13 ILE 57 - HG13 ILE 7 far 0 96 0 - 5.3-6.0 QG2 THR 9 - HG13 ILE 7 far 0 99 0 - 5.8-6.0 QG2 VAL 22 - HG13 ILE 7 far 0 84 0 - 7.0-8.1 QD1 LEU 14 - HG13 ILE 7 far 0 96 0 - 7.9-8.4 QG2 VAL 104 - HG13 ILE 7 far 0 70 0 - 7.9-8.5 QG2 VAL 107 - HG13 ILE 7 far 0 100 0 - 8.5-9.0 Violated in 2 structures by 0.00 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 2.5-3.0 11620/1.8=57...(14) QG1 VAL 107 - HB2 LEU 81 far 0 73 0 - 4.8-5.3 QD2 LEU 6 - HB2 LEU 81 far 0 87 0 - 6.4-6.9 QD2 LEU 55 - HB2 LEU 81 far 0 90 0 - 6.5-7.0 HG13 ILE 18 - HB2 LEU 81 far 0 65 0 - 7.7-8.1 QD1 ILE 15 - HB2 LEU 81 far 0 70 0 - 8.2-10.6 QD2 LEU 14 - HB2 LEU 81 far 0 73 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 11620 from cnoeabs.peaks (0.75, 1.36, 45.78 ppm; 4.24 A increased from 3.57 A): 1 out of 7 assignments used, quality = 0.97: QG2 ILE 7 + HB3 LEU 81 OK 97 97 100 100 3.9-4.3 11619/1.8=88...(17) QD1 ILE 7 - HB3 LEU 81 poor 15 73 20 - 4.2-4.5 QG1 VAL 107 - HB3 LEU 81 far 0 87 0 - 4.9-5.2 QD2 LEU 55 - HB3 LEU 81 far 0 77 0 - 7.4-8.0 QD2 LEU 6 - HB3 LEU 81 far 0 73 0 - 7.4-7.9 QD1 ILE 15 - HB3 LEU 81 far 0 84 0 - 9.5-11.9 QD2 LEU 14 - HB3 LEU 81 far 0 87 0 - 9.7-10.0 Violated in 1 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 2.6-2.9 3.2/11619=91...(11) 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 1.9-2.0 11623/1.8=95...(10) HB3 LEU 6 + HB2 LEU 81 OK 72 98 90 82 5.3-5.7 11387/1536=50...(4) HG LEU 80 + HB2 LEU 81 OK 54 90 70 85 5.5-5.7 4.3/9917=52, 5.3/9943=44...(5) HG12 ILE 57 - HB2 LEU 81 far 0 96 0 - 8.7-9.6 HG2 LYS 106 - HB2 LEU 81 far 0 96 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 11623 from cnoeabs.peaks (1.46, 1.36, 45.78 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: HG12 ILE 7 + HB3 LEU 81 OK 100 100 100 100 2.9-3.3 11389/3.1=78...(11) HG LEU 80 - HB3 LEU 81 far 0 77 0 - 5.5-5.7 HB3 LEU 6 - HB3 LEU 81 far 0 100 0 - 6.1-6.4 HG2 LYS 106 - HB3 LEU 81 far 0 99 0 - 8.6-9.6 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 3.7-4.2 1.8/11623=88...(11) 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 = 0.99: HA ILE 7 + QD1 LEU 80 OK 99 100 100 99 3.3-3.5 2492=94, 9951/509=80...(5) HA VAL 78 - QD1 LEU 80 far 0 84 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 11626 from cnoeabs.peaks (0.73, 3.71, 57.67 ppm; 4.09 A): 2 out of 5 assignments used, quality = 0.98: HG13 ILE 18 + HA LEU 114 OK 95 100 100 95 2.3-2.7 11628/3.0=59...(5) QG2 ILE 18 + HA LEU 114 OK 62 84 90 83 3.8-4.3 2.9/11126=50, ~11628=26...(6) QG1 VAL 117 - HA LEU 114 far 0 92 0 - 4.4-4.7 QG2 ILE 7 - HA LEU 114 far 0 84 0 - 5.6-6.1 QD2 LEU 55 - HA LEU 114 far 0 99 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 11628 from cnoeabs.peaks (0.74, 1.40, 40.94 ppm; 4.07 A increased from 3.83 A): 1 out of 5 assignments used, quality = 0.96: HG13 ILE 18 + HB3 LEU 114 OK 96 97 100 99 3.8-3.9 11709/3.1=50...(12) QG2 ILE 18 - HB3 LEU 114 far 0 65 0 - 4.8-5.2 QG1 VAL 117 - HB3 LEU 114 far 0 77 0 - 5.6-6.1 QG2 ILE 7 - HB3 LEU 114 far 0 96 0 - 7.4-7.9 QD2 LEU 55 - HB3 LEU 114 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 11629 from cnoeabs.peaks (1.78, 0.67, 23.24 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.87: HG12 ILE 18 + QD2 LEU 114 OK 87 90 100 97 2.0-2.3 11710=52, 1.8/11709=42...(10) HB2 LYS 19 - QD2 LEU 114 far 0 87 0 - 7.5-8.0 HB2 LEU 55 - QD2 LEU 114 far 0 77 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 11630 from cnoeabs.peaks (1.86, 0.65, 14.72 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.96: QE MET 42 + QD1 ILE 71 OK 96 100 100 97 2.3-3.0 9432=82, 11685/2.1=43...(7) QE MET 67 - QD1 ILE 71 far 0 70 0 - 4.4-4.8 HG LEU 70 - QD1 ILE 71 far 0 77 0 - 5.9-6.3 HG LEU 45 - QD1 ILE 71 far 0 61 0 - 6.7-7.7 HB2 LEU 63 - QD1 ILE 71 far 0 96 0 - 8.5-9.3 Violated in 0 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 4.0-4.7 2.2/4739=97, ~4727=76...(14) QD TYR 102 - HA LEU 81 far 0 73 0 - 8.9-9.2 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 5 assignments used, quality = 0.70: HB3 ARG 105 + QD1 LEU 81 OK 70 81 100 87 2.0-2.5 11634/2.1=33...(10) HB2 LEU 14 - QD1 LEU 81 far 0 97 0 - 7.0-7.7 QE MET 121 - QD1 LEU 81 far 0 100 0 - 7.8-9.0 HB ILE 18 - QD1 LEU 81 far 0 94 0 - 8.3-9.0 HD2 LYS 123 - QD1 LEU 81 far 0 84 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 11634 from cnoeabs.peaks (1.83, 0.71, 25.86 ppm; 4.52 A increased from 4.26 A): 1 out of 6 assignments used, quality = 0.80: HB3 ARG 105 + QD2 LEU 81 OK 80 81 100 100 4.1-4.5 11633/2.1=97, ~11018=47...(8) HB2 LEU 14 - QD2 LEU 81 far 0 97 0 - 5.6-6.1 QE MET 121 - QD2 LEU 81 far 0 100 0 - 5.9-7.2 HB ILE 18 - QD2 LEU 81 far 0 94 0 - 6.0-6.5 HD2 LYS 123 - QD2 LEU 81 far 0 84 0 - 8.5-10.1 HB ILE 57 - QD2 LEU 81 far 0 97 0 - 9.0-9.6 Violated in 2 structures by 0.00 A. Peak 11635 from cnoeabs.peaks (2.10, 0.71, 25.86 ppm; 4.81 A): 1 out of 11 assignments used, quality = 0.65: HB VAL 107 + QD2 LEU 81 OK 65 65 100 100 3.8-4.7 11607/2.1=98, ~11458=63...(6) HB2 GLU 112 - QD2 LEU 81 far 0 81 0 - 4.9-7.7 HG3 GLN 83 - QD2 LEU 81 far 0 61 0 - 5.4-5.8 HB3 GLU 112 - QD2 LEU 81 far 0 77 0 - 5.7-6.5 HB2 GLU 119 - QD2 LEU 81 far 0 61 0 - 6.0-7.3 HB3 GLU 119 - QD2 LEU 81 far 0 73 0 - 7.4-8.0 HB2 GLU 21 - QD2 LEU 81 far 0 65 0 - 7.4-8.2 HG3 GLU 21 - QD2 LEU 81 far 0 98 0 - 7.5-9.4 HG2 GLU 21 - QD2 LEU 81 far 0 96 0 - 7.6-9.4 HB2 GLU 103 - QD2 LEU 81 far 0 90 0 - 7.9-9.3 HB2 GLU 111 - QD2 LEU 81 far 0 100 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 11636 from cnoeabs.peaks (1.63, 0.71, 25.86 ppm; 3.44 A): 1 out of 6 assignments used, quality = 0.99: HB ILE 116 + QD2 LEU 81 OK 99 100 100 100 1.9-2.2 11637/2.1=84...(17) HG LEU 114 - QD2 LEU 81 far 0 65 0 - 6.3-6.7 HB ILE 5 - QD2 LEU 81 far 0 84 0 - 6.3-6.7 HB2 LEU 82 - QD2 LEU 81 far 0 87 0 - 6.6-6.7 HG LEU 64 - QD2 LEU 81 far 0 94 0 - 9.3-10.0 HG LEU 90 - QD2 LEU 81 far 0 98 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 11637 from cnoeabs.peaks (1.63, 0.79, 24.93 ppm; 2.67 A): 1 out of 6 assignments used, quality = 0.93: HB ILE 116 + QD1 LEU 81 OK 93 100 100 93 2.5-2.7 2.1/9958=47...(13) HB2 LEU 82 - QD1 LEU 81 far 0 87 0 - 4.3-4.6 HG LEU 90 - QD1 LEU 81 far 0 98 0 - 7.3-7.8 HG LEU 114 - QD1 LEU 81 far 0 65 0 - 7.7-8.1 HB ILE 5 - QD1 LEU 81 far 0 84 0 - 8.3-8.7 HG LEU 64 - QD1 LEU 81 far 0 94 0 - 9.0-9.6 Violated in 1 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 = 0.96: QG2 ILE 7 + HG LEU 81 OK 90 96 100 94 2.4-2.8 11619/3.0=41...(17) QG1 VAL 107 + HG LEU 81 OK 64 90 95 75 2.6-3.4 11458=44, ~11607=31...(4) QD1 ILE 7 - HG LEU 81 far 0 77 0 - 4.5-4.8 QD2 LEU 14 - HG LEU 81 far 0 90 0 - 7.4-7.7 QD1 ILE 15 - HG LEU 81 far 0 87 0 - 7.6-10.1 QD2 LEU 55 - HG LEU 81 far 0 73 0 - 7.6-8.3 QD2 LEU 6 - HG LEU 81 far 0 70 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 11639 from cnoeabs.peaks (0.87, 1.35, 27.36 ppm; 4.58 A increased from 3.66 A): 1 out of 8 assignments used, quality = 0.92: QG2 VAL 117 + HG LEU 81 OK 92 100 100 92 4.1-4.4 10523/3.0=65...(6) QG2 VAL 107 - HG LEU 81 far 0 100 0 - 4.9-5.5 QG2 THR 9 - HG LEU 81 far 0 99 0 - 5.0-5.6 QD1 LEU 14 - HG LEU 81 far 0 94 0 - 6.0-6.6 QD2 LEU 90 - HG LEU 81 far 0 81 0 - 6.8-7.3 QG2 VAL 104 - HG LEU 81 far 0 73 0 - 7.3-7.9 HG13 ILE 57 - HG LEU 81 far 0 94 0 - 8.2-9.1 QG2 VAL 22 - HG LEU 81 far 0 81 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 11640 from cnoeabs.peaks (1.50, 0.38, 23.07 ppm; 6.20 A): 2 out of 6 assignments used, quality = 1.00: HB2 LEU 6 + QD2 LEU 68 OK 100 100 100 100 2.9-3.4 3.1/9767=99...(6) HG LEU 6 + QD2 LEU 68 OK 77 77 100 100 1.9-2.3 2.1/9767=100, ~11274=91...(6) HG LEU 38 - QD2 LEU 68 far 0 73 0 - 7.4-8.8 HB2 LYS 61 - QD2 LEU 68 far 0 87 0 - 8.3-9.1 QB ALA 124 - QD2 LEU 68 far 0 100 0 - 9.2-10.0 HB3 ARG 30 - QD2 LEU 68 far 0 94 0 - 9.9-11.1 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 1.8-2.4 3.0/11496=46...(10) Violated in 0 structures by 0.00 A. Peak 11642 from cnoeabs.peaks (2.19, 1.59, 26.45 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.77: HB2 MET 67 + HG LEU 68 OK 77 77 100 99 4.5-5.2 4.6/1449=91, 11271=68...(5) HB2 GLU 69 - HG LEU 68 far 4 84 5 - 5.6-7.0 HG3 GLU 66 - HG LEU 68 far 0 100 0 - 8.5-9.3 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 3.8-4.4 9763=95, 9775/2.1=94...(8) QD1 ILE 97 - HB ILE 71 far 0 81 0 - 8.1-9.0 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 2.0-4.7 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 2.1-5.0 3.9/3814=98, 4.7/3821=96...(60) HE3 LYS 43 + HA LYS 43 OK 73 73 100 100 2.5-5.8 3.9/3814=98, 4.7/3821=96...(63) HE2 LYS 73 - HA LYS 43 far 0 94 0 - 6.6-13.5 HE3 LYS 39 - HA LYS 43 far 0 92 0 - 6.9-10.1 HE3 LYS 73 - HA LYS 43 far 0 81 0 - 7.1-14.5 HE2 LYS 39 - HA LYS 43 far 0 87 0 - 7.6-11.2 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: HE3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.4-5.6 3.9/3036=96, 4.8/3034=94...(55) HE2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.4-5.0 3.9/3036=96, 4.8/3035=94...(55) HB3 ASN 24 - HA LYS 20 far 10 100 10 - 6.0-9.4 HB2 ASN 24 - HA LYS 20 lone 1 100 75 2 4.8-7.9 HD3 ARG 118 - HA LYS 20 far 0 98 0 - 9.5-14.8 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 4.3-5.8 4694/2.5=99, ~4689=85...(7) QD1 ILE 5 - HB2 TYR 102 far 0 98 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 11651 from cnoeabs.peaks (0.62, 1.38, 27.05 ppm; 3.87 A increased from 3.65 A): 1 out of 3 assignments used, quality = 0.95: QD1 ILE 18 + HG LEU 14 OK 95 96 100 99 3.6-3.7 11652/2.1=85, ~11676=48...(7) HG13 ILE 15 - HG LEU 14 far 0 77 0 - 6.6-8.0 QG1 VAL 22 - HG LEU 14 far 0 70 0 - 8.7-9.4 Violated in 0 structures by 0.00 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 2.1-2.6 2.1/11676=60...(8) HG13 ILE 15 - QD1 LEU 14 far 0 77 0 - 6.2-7.2 QG1 VAL 22 - QD1 LEU 14 far 0 70 0 - 6.3-6.9 QD1 ILE 5 - QD1 LEU 14 far 0 100 0 - 9.6-10.3 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 4.0-4.5 2.1/10926=99, ~10923=80...(9) HB3 LYS 17 - HG2 LYS 19 far 0 65 0 - 8.1-8.8 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 1 assignment used, quality = 0.89: H VAL 22 + HB3 GLU 21 OK 89 90 100 99 2.8-4.2 4.7=84, 11655/1.8=78...(6) Violated in 0 structures by 0.00 A. Peak 11655 from cnoeabs.peaks (8.04, 2.12, 29.43 ppm; 3.83 A increased from 3.61 A): 1 out of 4 assignments used, quality = 0.95: H VAL 22 + HB2 GLU 21 OK 95 100 100 95 3.5-3.8 4.7=56, 11654/1.8=52...(7) H ARG 118 - HB2 GLU 21 far 0 84 0 - 5.0-6.0 H GLY 26 - HB2 GLU 21 far 0 61 0 - 8.5-11.0 H GLN 122 - HB2 GLU 21 far 0 77 0 - 9.0-10.3 Violated in 1 structures by 0.00 A. Peak 11656 from cnoeabs.peaks (8.04, 2.11, 35.31 ppm; 4.98 A increased from 4.43 A): 3 out of 6 assignments used, quality = 0.99: H VAL 22 + HG2 GLU 21 OK 96 97 100 99 3.6-4.9 11655/3.0=83...(4) H ASP 109 + HB VAL 107 OK 57 72 80 100 4.7-5.2 10297/2.1=94...(5) H VAL 22 + HG3 GLU 21 OK 24 96 25 99 2.2-5.4 11655/3.0=83...(4) H ARG 118 - HG3 GLU 21 far 0 65 0 - 5.8-7.2 H ARG 118 - HG2 GLU 21 far 0 65 0 - 7.3-8.5 H ARG 118 - HB VAL 107 far 0 45 0 - 9.0-9.8 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 1 assignment used, quality = 0.94: HG2 LYS 19 + HB VAL 29 OK 94 94 100 100 4.0-4.5 10926/2.1=94, ~10923=77...(9) 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 3.6-4.4 10563/2.1=96, ~11352=89...(14) Violated in 0 structures by 0.00 A. Peak 11661 from cnoeabs.peaks (4.16, 1.68, 28.78 ppm; 4.62 A increased from 4.11 A): 1 out of 13 assignments used, quality = 1.00: HA LEU 70 + HD3 LYS 73 OK 100 100 100 100 4.2-4.5 11077=97, 11080/3.0=58...(5) HA LEU 70 - HD2 LYS 73 far 0 100 0 - 4.9-5.5 HA ARG 95 - HD2 LYS 96 far 0 79 0 - 5.0-7.5 HA LEU 70 - HG12 ILE 71 far 0 78 0 - 5.0-5.3 HA ARG 95 - HD3 LYS 96 far 0 80 0 - 5.9-8.4 HA GLU 89 - HD3 LYS 96 far 0 71 0 - 7.6-11.7 HA GLU 89 - HD2 LYS 96 far 0 69 0 - 8.4-12.7 HA LEU 45 - HD3 LYS 43 far 0 81 0 - 8.4-10.3 HA LEU 45 - HD2 LYS 43 far 0 75 0 - 8.6-10.9 HA LEU 70 - HD3 LYS 43 far 0 100 0 - 8.7-11.8 HA LEU 70 - HD2 LYS 43 far 0 97 0 - 8.8-11.8 HA LEU 45 - HG12 ILE 71 far 0 56 0 - 9.1-10.2 HA LEU 45 - HD3 LYS 73 far 0 81 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 11662 from cnoeabs.peaks (1.67, 2.42, 35.05 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.97: HG3 ARG 95 + HG2 GLU 91 OK 97 99 100 97 2.8-5.5 1.8/11663=91, ~11665=54 HD2 LYS 96 - HG2 GLU 91 far 0 94 0 - 6.2-11.6 HD3 LYS 96 - HG2 GLU 91 far 0 90 0 - 7.4-11.7 Violated in 1 structures by 0.00 A. Peak 11663 from cnoeabs.peaks (1.87, 2.42, 35.05 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.88: HG2 ARG 95 + HG2 GLU 91 OK 88 99 100 89 2.0-3.9 1.8/11662=69...(3) Violated in 0 structures by 0.00 A. Peak 11665 from cnoeabs.peaks (2.29, 1.88, 27.31 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HG3 GLU 91 + HG2 ARG 95 OK 100 100 100 100 3.1-5.4 1.8/11663=98, ~11662=79...(4) Violated in 0 structures by 0.00 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 3.0-3.5 4691/2.5=87...(4) QD1 LEU 90 - HB2 TYR 102 far 0 73 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 11670 from cnoeabs.peaks (0.88, 2.75, 39.05 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 104 + HB3 TYR 102 OK 99 100 100 99 3.8-4.6 11669/1.8=74...(4) Violated in 0 structures by 0.00 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 3.5-4.7 1.8/10360=89...(11) Violated in 0 structures by 0.00 A. Peak 11673 from cnoeabs.peaks (1.46, 0.72, 21.31 ppm; 6.00 A): 1 out of 5 assignments used, quality = 1.00: HG12 ILE 7 + QG1 VAL 117 OK 100 100 100 100 4.0-4.6 ~11584=97, ~11618=91...(5) HG12 ILE 57 - QG1 VAL 117 far 0 100 0 - 6.7-7.4 HB3 LEU 6 - QG1 VAL 117 far 0 100 0 - 7.9-8.3 HG3 LYS 20 - QG1 VAL 117 far 0 65 0 - 9.2-10.3 HG LEU 80 - QG1 VAL 117 far 0 70 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 11676 from cnoeabs.peaks (1.75, 0.86, 22.48 ppm; 3.32 A): 1 out of 5 assignments used, quality = 0.77: HG12 ILE 18 + QD1 LEU 14 OK 77 81 100 95 2.4-2.8 2.1/11652=68, 10780=39...(9) HG2 LYS 17 - QD1 LEU 14 far 0 99 0 - 4.7-5.1 HB2 LEU 114 - QD1 LEU 14 far 0 73 0 - 4.7-5.3 HG3 ARG 105 - QD1 LEU 14 far 0 100 0 - 8.9-12.3 HB3 LEU 82 - QD1 LEU 14 far 0 77 0 - 9.5-10.0 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 2.6-4.1 11429/3.0=92...(8) HB2 ARG 118 - HB3 GLN 25 far 0 65 0 - 6.6-9.2 HG12 ILE 5 - HB3 GLN 25 far 0 92 0 - 7.0-8.0 HB ILE 3 - HB3 GLN 25 far 0 90 0 - 7.6-9.9 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 = 0.97: HA SER 58 + HB VAL 32 OK 92 92 100 100 3.7-4.5 9285/1205=80...(7) HA ASN 33 + HB VAL 32 OK 57 57 100 100 4.7-5.0 ~185=73, ~7447=68...(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 4.9-5.3 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 4.4-4.7 179/1205=96, ~9273=57 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 2.8-4.7 11451=96, 9327/1216=92...(8) Violated in 0 structures by 0.00 A. Peak 11684 from cnoeabs.peaks (9.01, 4.70, 53.48 ppm; 4.84 A increased from 3.88 A): 1 out of 1 assignment used, quality = 0.99: H GLU 37 + HA ASP 34 OK 99 100 100 99 4.6-4.7 9327/3.0=78, 2024/194=56...(6) Violated in 0 structures by 0.00 A. Peak 11685 from cnoeabs.peaks (1.02, 1.87, 17.86 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.99: HG13 ILE 71 + QE MET 42 OK 99 100 100 99 2.2-3.0 2.1/9432=97, 3.9/9426=44...(5) HG3 LYS 2 - QE MET 42 far 0 90 0 - 6.4-8.4 Violated in 0 structures by 0.00 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 70 100 100 4.8-5.3 4.0/348=89, 3.0/9607=79...(4) Violated in 0 structures by 0.00 A. Peak 11687 from cnoeabs.peaks (3.22, 0.84, 17.77 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 15 + QG2 ILE 57 OK 100 100 100 100 2.8-3.5 10773/4515=99, ~9556=58...(11) 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 = 1.00: HA ASN 8 + QD1 LEU 64 OK 100 100 100 100 3.7-4.1 9099=99, 3.0/9104=69...(9) Violated in 0 structures by 0.00 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 3.1-4.2 9106=81, 3.5/9104=78...(6) Violated in 0 structures by 0.00 A. Peak 11691 from cnoeabs.peaks (1.21, 1.84, 32.22 ppm; 4.53 A increased from 4.26 A): 1 out of 4 assignments used, quality = 0.62: HG13 ILE 3 + HB3 LYS 77 OK 62 73 100 84 2.8-4.5 2.1/11086=55...(4) HG13 ILE 3 - HB2 LYS 77 poor 18 73 25 - 4.0-6.1 HB3 LEU 74 - HB3 LYS 77 far 0 94 0 - 9.1-10.4 HB3 LEU 74 - HB2 LYS 77 far 0 93 0 - 9.2-10.4 Violated in 1 structures by 0.00 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 3.2-3.8 ~4723=84, 9049/9905=81...(7) QD TYR 27 - HB3 PHE 79 far 0 65 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 11694 from cnoeabs.peaks (2.75, 0.78, 25.50 ppm; 5.54 A increased from 5.22 A): 1 out of 2 assignments used, quality = 1.00: HB3 TYR 102 + QD1 LEU 80 OK 100 100 100 100 4.7-5.2 10176/2.1=91...(7) HB2 ASP 60 - QD1 LEU 80 far 0 77 0 - 9.3-10.5 Violated in 0 structures by 0.00 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 3.3-3.6 3.0/9947=94...(9) 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 = 0.30: HB3 LEU 82 + HB3 ASP 84 OK 30 77 100 38 4.0-4.4 9965/10025=24, 9965/11570=17 HB3 LYS 94 - HB3 ASP 84 far 0 73 0 - 6.3-8.8 HG3 ARG 105 - HB3 ASP 84 far 0 100 0 - 9.9-13.0 Violated in 0 structures by 0.00 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 3.3-3.6 3.0/11699=82...(9) HG3 ARG 105 - HB2 ASP 84 far 0 97 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 11699 from cnoeabs.peaks (1.65, 2.59, 43.77 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.89: HG LEU 90 + HB2 ASP 84 OK 89 90 100 100 4.6-5.1 2.1/11571=81, ~11570=77...(8) Violated in 2 structures by 0.01 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 4.2-5.6 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 3.3-3.6 11571/3.1=95, ~11570=85...(9) 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 3.0-3.3 2174=86, 4.0/8221=69...(6) H VAL 104 - HA ARG 95 far 0 96 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 11703 from cnoeabs.peaks (7.21, 1.68, 28.78 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.56: QD PHE 93 + HD3 LYS 96 OK 56 91 80 76 3.6-6.4 3.7/11310=76 QD PHE 93 - HD2 LYS 96 poor 12 90 60 23 4.7-5.6 3.7/10084=22 Violated in 4 structures by 0.18 A. Peak 11705 from cnoeabs.peaks (0.75, 0.96, 27.65 ppm; 3.95 A increased from 3.51 A): 2 out of 7 assignments used, quality = 0.79: QG2 ILE 54 + HG13 ILE 56 OK 60 100 60 100 3.9-4.3 11706/1.8=91, 11708=79...(6) QD2 LEU 6 + HG13 ILE 56 OK 48 90 100 54 3.4-4.0 11559/4.6=31...(5) QD1 LEU 45 - HG13 ILE 56 far 14 96 15 - 3.9-4.7 QG2 VAL 32 - HG13 ILE 56 far 0 70 0 - 4.4-5.1 QD2 LEU 55 - HG13 ILE 56 far 0 92 0 - 5.6-6.2 QD1 LEU 63 - HG13 ILE 56 far 0 99 0 - 7.8-8.7 QG2 ILE 7 - HG13 ILE 56 far 0 100 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 11706 from cnoeabs.peaks (0.75, 1.43, 27.65 ppm; 3.26 A increased from 3.06 A): 1 out of 7 assignments used, quality = 0.85: QG2 ILE 54 + HG12 ILE 56 OK 85 100 100 85 3.0-3.1 11707/2.1=62...(4) QD2 LEU 6 - HG12 ILE 56 far 0 90 0 - 3.9-4.5 QD1 LEU 45 - HG12 ILE 56 far 0 96 0 - 4.3-5.2 QD2 LEU 55 - HG12 ILE 56 far 0 92 0 - 4.5-5.1 QG2 VAL 32 - HG12 ILE 56 far 0 70 0 - 5.0-5.7 QG2 ILE 7 - HG12 ILE 56 far 0 100 0 - 8.6-9.3 QD1 LEU 63 - HG12 ILE 56 far 0 99 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 11707 from cnoeabs.peaks (0.75, 0.66, 12.57 ppm; 2.97 A): 1 out of 9 assignments used, quality = 0.80: QG2 ILE 54 + QD1 ILE 56 OK 80 100 100 80 1.9-2.4 11706/2.1=54...(6) QG2 VAL 32 - QD1 ILE 56 poor 12 81 55 26 2.6-3.2 ~10791=18, 9260/9259=5 QD1 LEU 45 - QD1 ILE 56 far 0 99 0 - 3.5-4.4 QD2 LEU 6 - QD1 ILE 56 far 0 81 0 - 4.3-4.7 QD2 LEU 55 - QD1 ILE 56 far 0 84 0 - 4.4-4.8 QD1 LEU 63 - QD1 ILE 56 far 0 96 0 - 6.3-7.0 QD1 ILE 7 - QD1 ILE 56 far 0 65 0 - 7.0-7.4 QG2 ILE 7 - QD1 ILE 56 far 0 99 0 - 8.2-8.5 QD1 ILE 15 - QD1 ILE 56 far 0 77 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 11708 from cnoeabs.peaks (0.96, 0.75, 17.84 ppm; 4.27 A increased from 3.60 A): 1 out of 4 assignments used, quality = 1.00: HG13 ILE 56 + QG2 ILE 54 OK 100 100 100 100 3.9-4.3 1.8/11706=96...(6) HD3 LYS 2 - QG2 ILE 54 far 0 100 0 - 5.4-8.0 QD1 LEU 38 - QG2 ILE 54 far 0 99 0 - 7.9-8.6 QD1 ILE 3 - QG2 ILE 54 far 0 87 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 11709 from cnoeabs.peaks (0.67, 0.73, 29.49 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 114 + HG13 ILE 18 OK 100 100 100 100 2.0-2.3 11629/1.8=97...(8) QD1 LEU 55 - HG13 ILE 18 far 0 87 0 - 5.6-6.1 QD1 ILE 116 - HG13 ILE 18 far 0 96 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 11710 from cnoeabs.peaks (0.67, 1.76, 29.49 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 114 + HG12 ILE 18 OK 100 100 100 100 2.0-2.3 11629=86, 11709/1.8=63...(10) QD1 LEU 55 - HG12 ILE 18 far 0 77 0 - 6.4-6.9 QD1 ILE 116 - HG12 ILE 18 far 0 90 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 11711 from cnoeabs.peaks (0.80, 1.76, 29.49 ppm; 4.55 A increased from 4.29 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 114 + HG12 ILE 18 OK 99 100 100 99 4.3-4.6 2.1/11710=87, ~11709=56...(7) QD1 LEU 81 - HG12 ILE 18 far 0 77 0 - 7.6-8.0 QG1 VAL 29 - HG12 ILE 18 far 0 99 0 - 8.2-8.6 Violated in 0 structures by 0.00 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 4.4-5.4 11681/2.1=86...(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 6.0-6.2 11681/2.1=85...(8) Violated in 13 structures by 0.01 A. Peak 11716 from cnoeabs.peaks (1.79, 2.37, 39.01 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.50: HG12 ILE 5 + HB3 TYR 27 OK 50 73 70 99 5.9-6.5 ~4586=89, 9052/4.4=46...(5) HB3 GLN 28 - HB3 TYR 27 far 5 95 5 - 6.1-7.3 HB ILE 3 - HB3 TYR 27 far 0 77 0 - 7.7-9.1 HB2 LYS 19 - HB3 TYR 27 far 0 100 0 - 8.1-9.2 HB2 ARG 118 - HB3 TYR 27 far 0 95 0 - 9.7-11.4 Violated in 7 structures by 0.05 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 5.0-5.7 9230/4.2=78, 11715=71...(5) H ARG 30 - HB3 TYR 27 far 0 65 0 - 7.4-8.2 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 2.7-3.1 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 2.3-2.4 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): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 27 + QD TYR 27 OK 100 100 100 100 2.4-2.7 2.5=100 HG2 GLN 25 - QD TYR 27 far 0 92 0 - 3.8-5.6 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 - 6.7-7.8 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 - 6.7-10.1 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 0 92 0 - 4.5-12.3 HE3 LYS 49 - QD PHE 51 far 0 92 0 - 5.5-12.7 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 2.3-2.8 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 2.0-2.2 3.7=83, 3.0/1503=53...(4) HA PHE 51 - QD TYR 76 far 0 57 0 - 6.5-8.5 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 2.3-2.4 2.5=100 HG2 MET 42 - QD TYR 76 far 0 96 0 - 7.5-9.3 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 2.7-2.8 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 - 7.0-8.0 QD PHE 79 - QD TYR 76 far 0 99 0 - 8.8-9.0 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 - 7.0-8.0 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 3.2-3.2 3.7=100 HA LYS 77 - QD PHE 79 far 0 57 0 - 5.6-6.1 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 2.3-2.3 2.4=100 HG3 LYS 2 - QD PHE 79 far 0 97 0 - 9.2-11.7 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 2.5-2.6 2.4=100 HB2 GLU 103 + QD PHE 79 OK 49 87 70 80 2.5-4.1 11014/3.7=27, 10206=25...(8) HG2 GLU 119 - QD PHE 79 far 0 100 0 - 6.5-9.2 HB3 MET 121 - QD PHE 79 far 0 100 0 - 7.4-8.1 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 - 6.1-7.0 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 - 8.2-9.5 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 - 6.9-8.0 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 2 assignments used, quality = 1.00: * QD PHE 79 + HZ PHE 79 OK 100 100 100 100 3.8-3.8 3.8=100 QE TYR 102 - HZ PHE 79 far 0 99 0 - 9.7-11.2 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 2 assignments used, quality = 0.99: * HA PHE 93 + QD PHE 93 OK 99 99 100 100 1.9-2.2 3.7=100 HA GLU 98 - QD PHE 93 far 0 97 0 - 8.7-9.1 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 2.7-2.8 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 2.3-2.3 2.4=100 HE2 LYS 94 - QD PHE 93 far 0 66 0 - 8.0-9.4 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 1 assignment used, quality = 0.99: * QE PHE 93 + QD PHE 93 OK 99 99 100 100 2.2-2.2 2.2=100 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 2.4-3.0 3.7=91, 3.0/4697=57...(4) Violated in 0 structures by 0.00 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 2.3-2.4 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 1 assignment used, quality = 0.99: * HB3 TYR 102 + QD TYR 102 OK 99 99 100 100 2.4-2.7 2.5=100 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 2 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 - 6.1-7.0 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 HZ PHE 79 - QE TYR 102 far 0 98 0 - 9.7-11.2 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 4 assignments used, quality = 0.98: * HA PHE 120 + QD PHE 120 OK 98 100 100 98 1.9-2.1 6944=81, 3.0/4700=35...(11) HA GLU 119 - QD PHE 120 far 0 99 0 - 5.4-5.8 HA LYS 123 - QD PHE 120 far 0 100 0 - 6.4-7.1 HB2 SER 126 - QD PHE 120 far 0 100 0 - 9.2-10.5 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 2.3-2.3 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 2.7-2.8 2.4=100 HG3 GLU 112 - QD PHE 120 far 0 99 0 - 8.7-12.0 HG2 GLU 112 - QD PHE 120 far 0 98 0 - 8.8-12.2 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 - 9.5-10.3 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 1 assignment used, quality = 1.00: * QE PHE 120 + HZ PHE 120 OK 100 100 100 100 2.2-2.2 2.2=100 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 3 assignments used, quality = 0.96: HB2 GLN 25 + QD TYR 27 OK 96 100 100 96 2.1-3.6 1.8/4578=58, ~4579=36...(10) HG3 GLU 128 - QD TYR 27 far 0 99 0 - 6.5-10.3 HG2 GLU 128 - QD TYR 27 far 0 99 0 - 7.3-10.5 Violated in 0 structures by 0.00 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 3.9-4.3 3.2/9798=66...(12) Violated in 0 structures by 0.00 A. Peak 4573 from aronoe.peaks (2.19, 6.71, 118.08 ppm; 4.10 A): 1 out of 8 assignments used, quality = 0.63: HB2 GLN 100 + QE TYR 102 OK 63 65 100 98 2.1-3.9 1.8/4620=72, ~4687=52...(6) HB3 MET 1 - QE TYR 76 poor 16 99 25 65 2.0-6.6 3.0/4606=46, ~10720=28 HB2 GLU 69 - QE TYR 102 far 0 89 0 - 5.5-7.1 HG2 GLU 48 - QE TYR 76 far 0 96 0 - 6.3-11.2 HB2 MET 42 - QE TYR 76 far 0 100 0 - 6.5-7.6 HB2 MET 67 - QE TYR 102 far 0 85 0 - 8.3-9.2 HB2 GLU 98 - QE TYR 102 far 0 68 0 - 8.8-9.5 HB2 MET 42 - QE TYR 102 far 0 94 0 - 9.9-11.4 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 = 0.50: H TYR 27 + QD TYR 27 OK 50 70 100 72 2.5-3.2 4.4=62, 3.6/4577=23, 148/11116=6 H SER 126 - QD TYR 27 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 4577 from aronoe.peaks (4.13, 6.79, 132.65 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.88: HA3 GLY 26 + QD TYR 27 OK 74 100 100 74 3.6-4.5 3.6/4576=67, 11446/4578=19 HA VAL 22 + QD TYR 27 OK 55 99 55 100 3.7-5.1 11450/4571=71, 11116=65...(20) HA GLN 122 - QD TYR 27 far 0 97 0 - 7.7-9.2 HA ALA 124 - QD TYR 27 far 0 73 0 - 8.2-9.2 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 1 assignment used, quality = 0.94: HB3 GLN 25 + QD TYR 27 OK 94 94 100 100 2.0-3.3 1.8/4571=88, 4579/2.2=69...(11) Violated in 0 structures by 0.00 A. Peak 4579 from aronoe.peaks (2.82, 6.58, 117.79 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.97: HB3 GLN 25 + QE TYR 27 OK 97 99 100 98 2.0-3.7 4578/2.2=70, ~4571=56...(9) HE2 LYS 77 - QE TYR 27 far 0 99 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 4580 from aronoe.peaks (2.64, 6.58, 117.79 ppm; 4.80 A increased from 4.27 A): 2 out of 2 assignments used, quality = 0.85: HG3 MET 121 + QE TYR 27 OK 69 73 95 99 2.8-5.5 1.8/4590=91...(8) HE2 LYS 53 + QE TYR 27 OK 52 84 65 96 3.4-6.0 3.0/4593=65, 3.6/9226=46...(5) Violated in 0 structures by 0.00 A. Peak 4581 from aronoe.peaks (2.38, 6.58, 117.79 ppm; 4.51 A increased from 4.01 A): 2 out of 2 assignments used, quality = 0.98: HB3 TYR 27 + QE TYR 27 OK 97 97 100 100 4.4-4.5 4.4=100 HG2 GLN 25 + QE TYR 27 OK 30 99 30 99 3.6-6.5 3.0/4579=70, ~4571=47...(10) Violated in 0 structures by 0.00 A. Peak 4582 from aronoe.peaks (1.81, 6.79, 132.65 ppm; 4.47 A increased from 3.98 A): 2 out of 6 assignments used, quality = 0.99: HG12 ILE 5 + QD TYR 27 OK 98 98 100 100 3.4-4.3 1.8/4586=89, ~4596=59...(10) QE MET 121 + QD TYR 27 OK 24 70 35 98 4.0-5.1 ~4590=38, 10861/11116=36...(13) HB ILE 3 - QD TYR 27 far 0 97 0 - 4.7-5.9 HB2 ARG 118 - QD TYR 27 far 0 81 0 - 8.6-10.2 HB ILE 18 - QD TYR 27 far 0 96 0 - 9.1-10.2 HB ILE 57 - QD TYR 27 far 0 92 0 - 9.7-11.1 Violated in 0 structures by 0.00 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 2.2-3.7 9517=52, 3.1/9523=44...(10) 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 = 0.69: HG2 LYS 53 + QD TYR 27 OK 69 70 100 99 3.4-4.2 2.8/4718=54, 1.8/4585=53...(12) HG2 LYS 19 - QD TYR 27 far 0 98 0 - 8.7-9.8 Violated in 3 structures by 0.01 A. Peak 4585 from aronoe.peaks (0.93, 6.79, 132.65 ppm; 5.09 A increased from 4.29 A): 1 out of 2 assignments used, quality = 0.96: HG3 LYS 53 + QD TYR 27 OK 96 96 100 100 2.6-4.9 1.8/4584=96, 2.8/4718=77...(13) HG13 ILE 54 - QD TYR 27 far 0 73 0 - 6.4-7.1 Violated in 0 structures by 0.00 A. Peak 4586 from aronoe.peaks (0.85, 6.79, 132.65 ppm; 3.96 A): 1 out of 7 assignments used, quality = 0.97: HG13 ILE 5 + QD TYR 27 OK 97 98 100 99 3.2-3.8 4596/2.2=51, 1.8/4582=50...(12) QG2 VAL 22 - QD TYR 27 far 0 100 0 - 4.3-5.1 QG2 ILE 5 - QD TYR 27 far 0 90 0 - 4.6-5.6 QG2 VAL 117 - QD TYR 27 far 0 84 0 - 6.9-7.6 HG13 ILE 57 - QD TYR 27 far 0 97 0 - 7.7-9.3 QG2 ILE 57 - QD TYR 27 far 0 87 0 - 8.7-9.9 QG2 ILE 15 - QD TYR 27 far 0 99 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 4587 from aronoe.peaks (0.73, 6.79, 132.65 ppm; 3.94 A): 0 out of 10 assignments used, quality = 0.00: QD2 LEU 55 - QD TYR 27 far 0 92 0 - 4.4-5.9 QG1 VAL 117 - QD TYR 27 far 0 99 0 - 4.7-5.7 QG2 ILE 18 - QD TYR 27 far 0 96 0 - 5.9-7.0 QD1 ILE 57 - QD TYR 27 far 0 61 0 - 6.7-7.9 QG2 VAL 78 - QD TYR 27 far 0 100 0 - 6.9-7.8 QD2 LEU 45 - QD TYR 27 far 0 100 0 - 7.9-9.2 QD2 LEU 6 - QD TYR 27 far 0 94 0 - 8.1-9.1 QG2 ILE 7 - QD TYR 27 far 0 65 0 - 8.3-9.4 QD1 LEU 6 - QD TYR 27 far 0 90 0 - 9.3-10.4 HG13 ILE 18 - QD TYR 27 far 0 100 0 - 9.4-10.4 Violated in 19 structures by 0.57 A. Peak 4588 from aronoe.peaks (0.64, 6.79, 132.65 ppm; 4.74 A increased from 3.79 A): 2 out of 5 assignments used, quality = 0.98: QD1 ILE 5 + QD TYR 27 OK 90 90 100 100 4.5-4.8 4598/2.2=91, 2.1/4586=90...(10) QG1 VAL 22 + QD TYR 27 OK 85 100 85 100 3.9-5.0 10868/2.5=71...(16) QD1 ILE 54 - QD TYR 27 far 0 100 0 - 5.5-6.0 QD1 LEU 4 - QD TYR 27 far 0 97 0 - 6.8-7.8 QD1 ILE 71 - QD TYR 27 far 0 61 0 - 8.9-9.9 Violated in 0 structures by 0.00 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 - 7.2-8.7 HG3 GLU 52 - QE TYR 27 far 0 99 0 - 7.5-9.9 HB VAL 117 - QE TYR 27 far 0 100 0 - 8.0-9.1 HB2 MET 1 - QE TYR 27 far 0 61 0 - 9.4-12.6 Violated in 20 structures by 2.82 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 90 2.7-4.1 1.8/4580=36...(9) HB2 LEU 127 - QE TYR 27 far 0 100 0 - 7.5-8.6 HB3 LYS 123 - QE TYR 27 far 0 69 0 - 7.7-9.2 HB2 LYS 123 - QE TYR 27 far 0 100 0 - 7.9-9.5 HB2 LEU 81 - QE TYR 27 far 0 87 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 4591 from aronoe.peaks (1.82, 6.58, 117.79 ppm; 4.12 A increased from 3.88 A): 2 out of 4 assignments used, quality = 0.97: HG12 ILE 5 + QE TYR 27 OK 87 92 95 100 2.4-4.3 1.8/4596=81, 2.1/4598=78...(9) HB ILE 3 + QE TYR 27 OK 80 89 95 94 2.9-4.5 2.1/9017=69, 3.2/4595=48...(6) QE MET 121 - QE TYR 27 far 13 84 15 - 3.5-5.1 HB2 ARG 118 - QE TYR 27 far 0 65 0 - 8.1-9.6 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 = 0.82: QB ALA 124 + QE TYR 27 OK 68 80 100 85 3.2-4.1 10620/4598=37...(5) HD2 LYS 53 + QE TYR 27 OK 45 92 50 98 2.3-5.3 1.8/4593=63, 3.7/4719=44...(8) HG3 ARG 118 - QE TYR 27 far 0 97 0 - 7.8-10.6 HB2 LEU 6 - QE TYR 27 far 0 65 0 - 8.7-10.5 HG2 ARG 30 - QE TYR 27 far 0 97 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 4593 from aronoe.peaks (1.26, 6.58, 117.79 ppm; 4.84 A increased from 4.55 A): 1 out of 4 assignments used, quality = 0.97: HD3 LYS 53 + QE TYR 27 OK 97 98 100 99 2.0-4.8 9479=58, 3.7/4719=57...(8) HG13 ILE 7 - QE TYR 27 far 0 94 0 - 7.6-9.5 HD2 LYS 2 - QE TYR 27 far 0 100 0 - 8.3-11.1 HG12 ILE 54 - QE TYR 27 far 0 84 0 - 8.5-9.3 Violated in 1 structures by 0.00 A. Peak 4594 from aronoe.peaks (1.08, 6.58, 117.79 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.99: QG2 ILE 3 + QE TYR 27 OK 95 97 100 98 2.0-3.5 9017=68, 3.0/4595=41...(10) HG2 LYS 53 + QE TYR 27 OK 80 100 85 95 2.3-4.6 3.0/4593=40, 2.8/4719=38...(10) HG2 LYS 2 - QE TYR 27 far 0 73 0 - 7.5-10.6 Violated in 0 structures by 0.00 A. Peak 4595 from aronoe.peaks (0.96, 6.58, 117.79 ppm; 4.70 A increased from 4.42 A): 1 out of 3 assignments used, quality = 0.83: QD1 ILE 3 + QE TYR 27 OK 83 89 100 93 4.1-4.7 3.0/9017=72, ~9020=39...(4) HG13 ILE 56 - QE TYR 27 far 0 100 0 - 9.4-10.8 HD3 LYS 2 - QE TYR 27 far 0 100 0 - 9.6-11.0 Violated in 1 structures by 0.00 A. Peak 4596 from aronoe.peaks (0.84, 6.58, 117.79 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.96: HG13 ILE 5 + QE TYR 27 OK 96 98 100 98 2.0-3.9 2.1/4598=72, 4586/2.2=50...(8) QG2 ILE 5 - QE TYR 27 far 0 100 0 - 4.3-5.8 QG2 VAL 22 - QE TYR 27 far 0 80 0 - 5.9-6.6 HG13 ILE 57 - QE TYR 27 far 0 61 0 - 9.3-10.9 QG2 ILE 57 - QE TYR 27 far 0 100 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 4598 from aronoe.peaks (0.64, 6.58, 117.79 ppm; 3.84 A increased from 3.61 A): 1 out of 5 assignments used, quality = 0.89: QD1 ILE 5 + QE TYR 27 OK 89 89 100 99 3.2-3.8 2.1/4596=67, 9056=66...(11) QG1 VAL 22 - QE TYR 27 far 0 100 0 - 5.0-5.9 QD1 ILE 54 - QE TYR 27 far 0 100 0 - 6.6-7.2 QD1 LEU 4 - QE TYR 27 far 0 97 0 - 6.8-8.0 QD1 ILE 71 - QE TYR 27 far 0 61 0 - 8.6-10.2 Violated in 2 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 2.4-4.3 10719=66, 3.0/10717=54...(4) HG2 GLU 128 - QD PHE 51 far 7 69 10 - 4.0-9.8 HG3 GLU 52 - QD PHE 51 far 4 84 5 - 4.2-8.0 HG3 GLU 128 - QD PHE 51 far 3 69 5 - 4.2-9.9 HB2 GLU 48 - QD PHE 51 far 0 94 0 - 5.5-13.6 HB3 GLU 48 - QD PHE 51 far 0 94 0 - 6.4-13.1 Violated in 2 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 0 100 0 - 7.0-10.3 QG2 ILE 54 - QD PHE 51 far 0 99 0 - 8.2-10.6 Violated in 20 structures by 4.18 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 3.2-3.4 1503=97, 1498/2.5=68...(8) 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 5 assignments used, quality = 0.77: HA MET 1 + QE TYR 76 OK 77 91 100 84 2.1-4.5 10720/2.2=57, 10715=52...(4) HB3 SER 72 - QE TYR 102 lone 1 100 95 1 3.4-4.6 HB2 SER 72 - QE TYR 102 lone 0 100 65 1 2.0-5.2 HB3 SER 72 - QE TYR 76 far 0 94 0 - 9.6-10.4 HB2 SER 72 - QE TYR 76 far 0 94 0 - 9.7-10.7 Violated in 2 structures by 0.00 A. Peak 4607 from aronoe.peaks (2.75, 6.72, 118.20 ppm; 4.64 A increased from 4.36 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 102 + QE TYR 102 OK 100 100 100 100 4.4-4.5 4.4=100 HE2 LYS 2 + QE TYR 76 OK 77 91 85 99 2.3-5.3 3.0/4628=78, 3.9/4627=66...(7) HG3 MET 42 - QE TYR 76 far 0 87 0 - 7.8-8.9 HG3 MET 42 - QE TYR 102 far 0 95 0 - 8.9-10.4 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 = 0.93: HB2 TYR 102 + QE TYR 102 OK 76 77 100 99 4.4-4.4 4.4=97, 10117/4630=57...(6) HG2 GLN 100 + QE TYR 102 OK 69 73 95 99 1.9-4.6 3.0/4620=72, 3.0/4619=72...(8) HG3 GLU 41 - QE TYR 76 far 0 94 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 4609 from aronoe.peaks (1.90, 6.86, 132.04 ppm; 5.03 A increased from 4.24 A): 1 out of 10 assignments used, quality = 0.99: HB2 LEU 45 + QD TYR 76 OK 99 99 100 100 4.6-4.8 1.8/4611=91, 3.1/4618=86...(11) HG LEU 45 - QD TYR 76 far 0 70 0 - 5.8-6.3 HB ILE 71 - QD TYR 76 far 0 100 0 - 6.1-6.3 HB2 LYS 73 - QD TYR 76 far 0 99 0 - 7.1-9.3 HB2 LYS 49 - QD TYR 76 far 0 100 0 - 7.2-12.9 HB3 LYS 73 - QD TYR 76 far 0 99 0 - 8.3-9.1 QE MET 67 - QD TYR 76 far 0 61 0 - 8.6-9.9 HB2 LYS 44 - QD TYR 76 far 0 87 0 - 8.9-10.4 HB2 GLU 128 - QD TYR 76 far 0 100 0 - 9.3-12.2 HB3 LYS 44 - QD TYR 76 far 0 97 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4610 from aronoe.peaks (1.72, 6.86, 132.04 ppm; 4.81 A increased from 4.52 A): 1 out of 3 assignments used, quality = 0.77: HG LEU 74 + QD TYR 76 OK 77 77 100 100 4.6-4.8 2.1/4616=98, 4622/2.2=58...(11) HD3 LYS 44 - QD TYR 76 far 0 73 0 - 8.1-13.1 HD2 LYS 44 - QD TYR 76 far 0 65 0 - 9.1-12.4 Violated in 1 structures by 0.00 A. Peak 4611 from aronoe.peaks (1.49, 6.86, 132.04 ppm; 4.50 A increased from 3.79 A): 1 out of 5 assignments used, quality = 1.00: HB3 LEU 45 + QD TYR 76 OK 100 100 100 100 3.7-4.3 4623/2.2=81, 3.1/4618=75...(13) HG3 LYS 73 - QD TYR 76 far 0 90 0 - 6.8-9.2 HD2 LYS 53 - QD TYR 76 far 0 94 0 - 8.0-12.2 QB ALA 124 - QD TYR 76 far 0 77 0 - 8.2-8.7 HB2 LEU 6 - QD TYR 76 far 0 61 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4612 from aronoe.peaks (1.45, 6.86, 132.04 ppm; 4.43 A increased from 3.93 A): 1 out of 7 assignments used, quality = 0.99: HG LEU 4 + QD TYR 76 OK 99 99 100 100 3.7-4.2 2.1/4617=92, 2.1/9039=76...(17) HB2 LEU 4 - QD TYR 76 far 0 94 0 - 5.3-5.9 HG2 LYS 49 - QD TYR 76 far 0 87 0 - 5.9-13.3 HB3 LEU 4 - QD TYR 76 far 0 94 0 - 6.0-6.4 HG3 LYS 49 - QD TYR 76 far 0 87 0 - 7.2-13.2 HG12 ILE 56 - QD TYR 76 far 0 61 0 - 7.9-8.8 HG3 LYS 44 - QD TYR 76 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 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 far 0 100 0 - 5.9-7.0 Violated in 20 structures by 2.14 A. Peak 4614 from aronoe.peaks (1.04, 6.86, 132.04 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.95: HG3 LYS 2 + QD TYR 76 OK 95 99 100 96 2.9-4.1 4627/2.2=74, 2.9/4615=50...(5) HG13 ILE 71 - QD TYR 76 far 0 65 0 - 4.2-4.8 Violated in 3 structures by 0.00 A. Peak 4615 from aronoe.peaks (0.95, 6.86, 132.04 ppm; 4.67 A): 1 out of 6 assignments used, quality = 0.92: HD3 LYS 2 + QD TYR 76 OK 92 92 100 100 2.6-4.5 4628/2.2=88, 2.9/4614=76...(8) QD1 ILE 3 - QD TYR 76 far 0 61 0 - 5.6-7.1 HG13 ILE 56 - QD TYR 76 far 0 96 0 - 7.6-8.7 QD2 LEU 127 - QD TYR 76 far 0 61 0 - 7.8-9.6 HG3 LYS 53 - QD TYR 76 far 0 77 0 - 8.0-10.6 QD1 LEU 38 - QD TYR 76 far 0 87 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4616 from aronoe.peaks (0.82, 6.86, 132.04 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.94: QD1 LEU 74 + QD TYR 76 OK 94 100 100 94 2.0-2.5 9818/2.2=42, 2.1/4610=34...(12) QG2 ILE 71 - QD TYR 76 far 5 100 5 - 3.4-3.7 QD2 LEU 74 - QD TYR 76 far 0 100 0 - 3.5-4.2 Violated in 0 structures by 0.00 A. Peak 4617 from aronoe.peaks (0.66, 6.86, 132.04 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.72: QD1 LEU 4 + QD TYR 76 OK 72 73 100 98 2.4-2.9 9037=49, 2.1/9039=47...(15) QD1 ILE 71 - QD TYR 76 far 0 99 0 - 5.3-5.8 QD1 ILE 56 - QD TYR 76 far 0 100 0 - 7.4-8.3 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 1 assignment used, quality = 0.78: QD1 LEU 45 + QD TYR 76 OK 78 81 100 97 3.0-3.6 3.1/4611=43, 9445/2.2=37...(11) Violated in 0 structures by 0.00 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 2.1-3.9 1.8/4620=75, 4686/2.2=65...(6) Violated in 1 structures by 0.00 A. Peak 4620 from aronoe.peaks (2.05, 6.72, 118.20 ppm; 3.85 A): 1 out of 8 assignments used, quality = 0.98: HB3 GLN 100 + QE TYR 102 OK 98 99 100 98 2.2-3.7 1.8/4619=74, 4687/2.2=63...(6) HB3 GLU 48 - QE TYR 76 far 0 77 0 - 6.6-10.4 HB2 GLU 48 - QE TYR 76 far 0 77 0 - 6.7-10.8 HB3 MET 67 - QE TYR 102 far 0 100 0 - 7.0-7.8 HG3 GLU 52 - QE TYR 76 far 0 87 0 - 8.0-11.6 HB2 GLU 47 - QE TYR 76 far 0 92 0 - 8.2-9.0 HB3 GLU 98 - QE TYR 102 far 0 100 0 - 9.0-9.8 HB2 GLU 66 - QE TYR 102 far 0 87 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 4621 from aronoe.peaks (1.90, 6.72, 118.20 ppm; 3.92 A): 2 out of 16 assignments used, quality = 0.98: HB ILE 71 + QE TYR 102 OK 85 100 95 89 2.6-4.2 2.1/9799=48...(8) HB2 LEU 45 + QE TYR 76 OK 85 85 100 100 3.1-3.7 1.8/4623=81, 3.1/4735=59...(10) HG LEU 45 - QE TYR 76 far 0 74 0 - 5.0-5.7 HB2 LYS 49 - QE TYR 76 far 0 92 0 - 5.3-11.1 HB2 LYS 73 - QE TYR 76 far 0 94 0 - 7.0-9.3 HB2 LYS 73 - QE TYR 102 far 0 100 0 - 7.5-8.6 HB ILE 71 - QE TYR 76 far 0 94 0 - 7.8-8.2 HB2 LYS 44 - QE TYR 76 far 0 64 0 - 8.0-9.3 HB2 LYS 96 - QE TYR 102 far 0 98 0 - 8.1-10.7 HB3 LYS 73 - QE TYR 76 far 0 94 0 - 8.1-8.8 HB3 LYS 44 - QE TYR 76 far 0 80 0 - 8.3-9.3 QE MET 67 - QE TYR 102 far 0 77 0 - 8.6-9.1 HB3 LYS 73 - QE TYR 102 far 0 100 0 - 8.7-9.3 QE MET 67 - QE TYR 76 far 0 68 0 - 9.2-10.9 HB3 LYS 43 - QE TYR 76 far 0 90 0 - 9.5-10.3 HB2 LYS 43 - QE TYR 76 far 0 77 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 4622 from aronoe.peaks (1.71, 6.72, 118.20 ppm; 4.59 A increased from 4.32 A): 1 out of 7 assignments used, quality = 0.93: HG LEU 74 + QE TYR 76 OK 93 93 100 99 4.2-4.6 2.1/9818=77, ~4616=64...(7) HG12 ILE 71 - QE TYR 102 far 0 84 0 - 5.1-6.6 HG12 ILE 71 - QE TYR 76 far 0 74 0 - 6.8-7.4 HD3 LYS 44 - QE TYR 76 far 0 92 0 - 7.2-12.0 HD2 LYS 44 - QE TYR 76 far 0 90 0 - 7.8-11.1 HG LEU 74 - QE TYR 102 far 0 100 0 - 7.9-8.5 HB ILE 56 - QE TYR 102 far 0 65 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4623 from aronoe.peaks (1.50, 6.72, 118.20 ppm; 3.68 A): 1 out of 8 assignments used, quality = 0.78: HB3 LEU 45 + QE TYR 76 OK 78 80 100 97 2.5-3.3 3.1/4735=52, 4611/2.2=44...(9) HB2 LEU 6 - QE TYR 102 far 0 89 0 - 6.6-7.3 HG3 LYS 73 - QE TYR 76 far 0 53 0 - 6.7-9.6 HG3 LYS 73 - QE TYR 102 far 0 61 0 - 6.8-8.5 HD2 LYS 53 - QE TYR 76 far 0 61 0 - 8.7-13.1 HG2 LYS 43 - QE TYR 76 far 0 64 0 - 9.4-10.7 QB ALA 124 - QE TYR 102 far 0 97 0 - 9.5-11.1 QB ALA 124 - QE TYR 76 far 0 89 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 4624 from aronoe.peaks (1.43, 6.72, 118.20 ppm; 3.99 A): 0 out of 8 assignments used, quality = 0.00: HB2 LEU 4 - QE TYR 76 far 0 80 0 - 7.2-7.8 HB2 LEU 4 - QE TYR 102 far 0 89 0 - 7.3-8.6 HB3 LEU 4 - QE TYR 76 far 0 80 0 - 7.6-8.0 HG LEU 80 - QE TYR 102 far 0 77 0 - 7.9-8.2 HG3 LYS 44 - QE TYR 76 far 0 77 0 - 8.7-10.7 HB3 LEU 4 - QE TYR 102 far 0 89 0 - 8.9-10.1 HG12 ILE 56 - QE TYR 76 far 0 94 0 - 9.1-10.1 HG2 LYS 96 - QE TYR 102 far 0 80 0 - 9.8-10.9 Violated in 20 structures by 1.96 A. Peak 4625 from aronoe.peaks (1.56, 6.72, 118.20 ppm; 4.28 A increased from 3.80 A): 1 out of 9 assignments used, quality = 0.89: HB VAL 78 + QE TYR 102 OK 89 100 90 99 3.1-4.5 9872/2.2=66, ~4694=47...(10) QB ALA 46 - QE TYR 76 poor 8 83 25 38 3.9-5.1 9452=24, 9461/4629=18 HG2 LYS 65 - QE TYR 102 far 0 89 0 - 6.5-9.5 HB3 LEU 70 - QE TYR 76 far 0 83 0 - 6.5-8.2 HG12 ILE 3 - QE TYR 76 far 0 94 0 - 7.6-10.0 HB3 LEU 70 - QE TYR 102 far 0 92 0 - 7.9-8.6 HB VAL 78 - QE TYR 76 far 0 93 0 - 8.4-8.8 HG12 ILE 3 - QE TYR 102 far 0 100 0 - 9.4-13.2 HG3 LYS 96 - QE TYR 102 far 0 92 0 - 9.5-11.3 Violated in 2 structures by 0.02 A. Peak 4626 from aronoe.peaks (1.25, 6.72, 118.20 ppm; 4.69 A increased from 4.17 A): 1 out of 2 assignments used, quality = 0.64: HD2 LYS 2 + QE TYR 76 OK 64 64 100 100 2.4-4.5 1.8/4628=95, 2.9/4627=80...(10) HG12 ILE 54 - QE TYR 76 far 0 92 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 4627 from aronoe.peaks (1.04, 6.72, 118.20 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.80: HG3 LYS 2 + QE TYR 76 OK 80 85 100 94 2.9-3.8 4614/2.2=62, 2.9/4628=57...(5) HB2 PHE 79 - QE TYR 102 far 0 100 0 - 8.4-9.5 HG3 LYS 2 - QE TYR 102 far 0 94 0 - 9.6-12.5 Violated in 2 structures by 0.00 A. Peak 4628 from aronoe.peaks (0.95, 6.72, 118.20 ppm; 3.87 A): 1 out of 9 assignments used, quality = 0.67: HD3 LYS 2 + QE TYR 76 OK 67 71 100 95 2.5-3.9 2.9/4627=59, 1.8/4626=53...(5) QG1 VAL 104 - QE TYR 102 far 0 69 0 - 7.7-8.4 QD1 LEU 38 - QE TYR 102 far 0 73 0 - 8.3-8.9 HG13 ILE 56 - QE TYR 76 far 0 77 0 - 8.8-9.9 HG3 LYS 53 - QE TYR 76 far 0 80 0 - 9.1-11.5 QD2 LEU 127 - QE TYR 76 far 0 68 0 - 9.3-11.1 HG13 ILE 56 - QE TYR 102 far 0 87 0 - 9.7-10.6 QD2 LEU 127 - QE TYR 102 far 0 77 0 - 9.9-11.9 HD3 LYS 2 - QE TYR 102 far 0 80 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 4629 from aronoe.peaks (0.82, 6.72, 118.20 ppm; 3.07 A): 3 out of 9 assignments used, quality = 0.98: QD1 LEU 74 + QE TYR 76 OK 80 89 100 90 1.9-2.6 4616/2.2=53, 9818=33...(9) QD2 LEU 74 + QE TYR 76 OK 78 91 100 85 2.0-2.9 2.1/9818=33, 2.1/4622=30...(9) QG2 ILE 71 + QE TYR 102 OK 59 97 85 71 2.2-4.1 9799=26, 2.1/4621=21...(7) QG2 ILE 71 - QE TYR 76 far 0 89 0 - 5.1-5.6 QD1 LEU 74 - QE TYR 102 far 0 97 0 - 6.4-7.2 QD1 LEU 64 - QE TYR 102 far 0 92 0 - 7.1-7.7 QD2 LEU 74 - QE TYR 102 far 0 99 0 - 8.1-8.8 QD2 LEU 82 - QE TYR 102 far 0 100 0 - 8.7-9.5 QG2 ILE 5 - QE TYR 102 far 0 69 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 4630 from aronoe.peaks (0.69, 6.72, 118.20 ppm; 3.74 A increased from 3.32 A): 1 out of 5 assignments used, quality = 0.97: QG2 ILE 97 + QE TYR 102 OK 97 98 100 99 3.0-3.6 4693/2.2=76, 10150=45...(12) QD2 LEU 4 - QE TYR 76 far 0 83 0 - 4.9-5.2 QD2 LEU 4 - QE TYR 102 far 0 92 0 - 8.3-9.4 QG2 ILE 56 - QE TYR 102 far 0 98 0 - 9.0-10.0 QG2 ILE 56 - QE TYR 76 far 0 90 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 4631 from aronoe.peaks (0.64, 6.72, 118.20 ppm; 3.37 A): 0 out of 9 assignments used, quality = 0.00: QD1 ILE 71 - QE TYR 102 far 0 87 0 - 3.5-5.0 QD1 LEU 4 - QE TYR 76 far 0 94 0 - 3.8-4.4 QD1 LEU 4 - QE TYR 102 far 0 100 0 - 6.2-7.3 QD1 ILE 71 - QE TYR 76 far 0 77 0 - 6.9-7.3 QD1 ILE 54 - QE TYR 76 far 0 89 0 - 7.8-8.4 QD1 ILE 56 - QE TYR 76 far 0 53 0 - 8.0-9.0 QD1 ILE 5 - QE TYR 102 far 0 65 0 - 8.1-9.2 QD1 ILE 5 - QE TYR 76 far 0 57 0 - 9.8-10.4 QD1 ILE 56 - QE TYR 102 far 0 61 0 - 9.8-10.7 Violated in 19 structures by 0.26 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 3.3-4.0 2.1/4633=77, 4695/2.2=64...(11) Violated in 0 structures by 0.00 A. Peak 4633 from aronoe.peaks (0.39, 6.72, 118.20 ppm; 3.84 A increased from 3.61 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 68 + QE TYR 102 OK 93 98 95 100 2.8-4.1 4696/2.2=73, 2.1/4632=64...(14) QD2 LEU 68 - QE TYR 76 far 0 90 0 - 9.8-10.4 Violated in 1 structures by 0.01 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 2.7-2.9 491/4636=68, 3.2/4648=53...(10) HA ILE 7 - QD PHE 79 far 0 96 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 4635 from aronoe.peaks (4.83, 6.72, 131.81 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 5 + QD PHE 79 OK 100 100 100 100 2.9-3.4 3.2/4647=66...(14) HA ILE 3 - QD PHE 79 far 0 94 0 - 5.1-6.2 HA ILE 54 - QD PHE 79 far 0 90 0 - 9.9-10.6 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 = 0.98: H PHE 79 + QD PHE 79 OK 98 100 100 98 1.9-2.1 1526=83, 491/4634=47...(8) 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 3.8-4.2 10625=88, 2.1/10629=85...(14) HA GLN 122 - QE PHE 79 far 0 81 0 - 7.6-8.2 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 2.8-3.7 10624=93, 2.1/4665=81...(14) HA GLN 122 - HZ PHE 79 far 0 90 0 - 7.8-8.5 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 = 0.83: HB3 PHE 120 + QD PHE 79 OK 83 92 100 90 2.9-3.6 4.4/4723=44...(7) HB3 TYR 27 - QD PHE 79 far 0 61 0 - 9.7-10.6 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 - 7.9-8.7 Violated in 20 structures by 3.86 A. Peak 4644 from aronoe.peaks (1.96, 6.72, 131.81 ppm; 4.08 A): 0 out of 1 assignment used, quality = 0.00: HB VAL 104 - QD PHE 79 far 0 73 0 - 8.5-9.2 Violated in 20 structures by 4.80 A. Peak 4645 from aronoe.peaks (1.80, 6.72, 131.81 ppm; 5.02 A increased from 4.23 A): 1 out of 4 assignments used, quality = 1.00: HG12 ILE 5 + QD PHE 79 OK 100 100 100 100 4.7-4.8 1.8/9053=80, 3.2/4647=80...(18) HG2 ARG 105 - QD PHE 79 far 0 100 0 - 5.9-8.3 HB ILE 3 - QD PHE 79 far 0 100 0 - 6.1-6.6 HB3 ARG 105 - QD PHE 79 far 0 87 0 - 6.4-7.1 Violated in 0 structures by 0.00 A. Peak 4646 from aronoe.peaks (1.51, 6.72, 131.81 ppm; 4.42 A increased from 4.16 A): 1 out of 3 assignments used, quality = 0.94: QB ALA 124 + QD PHE 79 OK 94 94 100 100 3.9-4.4 10629/2.2=76...(11) HB2 LEU 6 - QD PHE 79 far 0 99 0 - 5.9-6.4 HG LEU 6 - QD PHE 79 far 0 97 0 - 8.0-8.4 Violated in 1 structures by 0.00 A. Peak 4647 from aronoe.peaks (0.84, 6.72, 131.81 ppm; 4.10 A increased from 3.65 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 5 + QD PHE 79 OK 100 100 100 100 3.6-4.1 10943/2.4=57...(22) HG13 ILE 5 - QD PHE 79 far 15 100 15 - 3.9-4.5 QG2 VAL 22 - QD PHE 79 far 0 90 0 - 9.3-9.9 QD2 LEU 82 - QD PHE 79 far 0 65 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 4648 from aronoe.peaks (0.73, 6.72, 131.81 ppm; 4.66 A increased from 4.39 A): 1 out of 9 assignments used, quality = 0.98: QG2 VAL 78 + QD PHE 79 OK 98 99 100 99 4.2-4.5 3.2/4634=68, 493/4636=66...(8) QG1 VAL 117 - QD PHE 79 far 0 96 0 - 6.0-6.4 QD2 LEU 6 - QD PHE 79 far 0 98 0 - 6.9-7.4 QD1 LEU 6 - QD PHE 79 far 0 81 0 - 7.2-7.6 QD2 LEU 55 - QD PHE 79 far 0 97 0 - 7.5-8.1 QG2 ILE 7 - QD PHE 79 far 0 77 0 - 7.9-8.3 QG2 ILE 18 - QD PHE 79 far 0 90 0 - 8.6-9.0 QG2 ILE 54 - QD PHE 79 far 0 70 0 - 9.0-9.6 QD2 LEU 45 - QD PHE 79 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 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 1.9-2.1 10740/2.4=62...(23) QG1 VAL 78 + QD PHE 79 OK 84 87 100 97 3.5-3.9 2.1/4648=51, 3.2/4634=48...(10) QD1 LEU 4 - QD PHE 79 far 0 77 0 - 6.6-7.1 QG1 VAL 22 - QD PHE 79 far 0 90 0 - 7.7-8.2 QD1 ILE 18 - QD PHE 79 far 0 81 0 - 9.1-9.5 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 4.4-4.5 4.4=100 HB2 GLU 103 + QE PHE 79 OK 65 97 70 96 4.1-5.3 10206/2.2=66, ~10212=46...(6) HG2 GLU 119 - QE PHE 79 far 0 99 0 - 7.0-9.6 HB3 MET 121 - QE PHE 79 far 0 100 0 - 7.1-7.8 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 4 assignments used, quality = 0.97: HB2 LYS 123 + QE PHE 79 OK 97 100 100 97 3.1-4.0 7119/4652=59...(7) HB2 LEU 127 - QE PHE 79 far 0 100 0 - 4.9-6.4 HG2 MET 121 - QE PHE 79 far 0 70 0 - 6.3-8.4 HB2 LEU 81 - QE PHE 79 far 0 77 0 - 9.2-9.4 Violated in 1 structures by 0.00 A. Peak 4652 from aronoe.peaks (1.84, 7.10, 130.14 ppm; 3.77 A): 1 out of 6 assignments used, quality = 0.91: HD2 LYS 123 + QE PHE 79 OK 91 100 95 96 2.9-3.9 1.8/4653=63, 11210=52...(6) HB2 LYS 77 - QE PHE 79 far 10 100 10 - 2.8-5.7 HB3 LYS 77 - QE PHE 79 far 10 100 10 - 3.8-4.5 HG LEU 127 - QE PHE 79 far 0 81 0 - 4.9-5.6 QE MET 121 - QE PHE 79 far 0 81 0 - 7.6-8.2 HB2 ARG 105 - QE PHE 79 far 0 84 0 - 8.3-10.0 Violated in 2 structures by 0.01 A. Peak 4653 from aronoe.peaks (1.74, 7.10, 130.14 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.88: HD3 LYS 123 + QE PHE 79 OK 88 90 100 98 2.7-3.9 1.8/4652=86...(5) HG3 ARG 105 - QE PHE 79 far 0 77 0 - 8.1-11.1 HB2 LEU 80 - QE PHE 79 far 0 73 0 - 8.4-8.7 HG2 ARG 118 - QE PHE 79 far 0 96 0 - 9.7-11.6 Violated in 0 structures by 0.00 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 - 5.5-7.2 Violated in 20 structures by 2.73 A. Peak 4655 from aronoe.peaks (1.49, 7.10, 130.14 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.89: QB ALA 124 + QE PHE 79 OK 89 90 100 100 2.1-3.0 10629=85, 2.1/4638=58...(13) HD2 LYS 53 - QE PHE 79 far 0 84 0 - 7.5-10.0 HB2 LEU 6 - QE PHE 79 far 0 77 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 4656 from aronoe.peaks (1.37, 7.10, 130.14 ppm; 4.91 A increased from 4.36 A): 1 out of 2 assignments used, quality = 0.73: HG2 LYS 77 + QE PHE 79 OK 73 73 100 100 3.1-4.9 1.8/9847=61...(11) HB3 LEU 81 - QE PHE 79 far 0 77 0 - 8.2-8.5 Violated in 1 structures by 0.00 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 2.0-2.8 9021=91, 4662/2.2=59...(12) HG2 LYS 53 - QE PHE 79 far 0 90 0 - 6.0-10.5 HG2 LYS 2 - QE PHE 79 far 0 96 0 - 8.6-11.4 Violated in 0 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 2.7-3.6 9026=97, 3.0/4658=63...(14) HD3 LYS 2 - QE PHE 79 far 0 81 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 4660 from aronoe.peaks (0.83, 7.10, 130.14 ppm; 5.42 A increased from 4.56 A): 2 out of 5 assignments used, quality = 0.95: HG13 ILE 5 + QE PHE 79 OK 85 90 95 100 5.0-5.6 2.1/4661=93...(12) QG2 ILE 5 + QE PHE 79 OK 64 98 65 100 5.2-5.7 4647/2.2=88, 3.0/4661=84...(13) QG2 ILE 71 - QE PHE 79 far 0 65 0 - 6.9-7.1 QG2 VAL 22 - QE PHE 79 far 0 61 0 - 10.0-10.6 QD1 LEU 74 - QE PHE 79 far 0 65 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 4661 from aronoe.peaks (0.63, 7.10, 130.14 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 5 + QE PHE 79 OK 100 100 100 100 2.8-3.3 9055/2.2=75...(16) QG1 VAL 78 - QE PHE 79 far 0 87 0 - 5.1-5.6 QD1 LEU 4 - QE PHE 79 far 0 77 0 - 7.2-7.8 QG1 VAL 22 - QE PHE 79 far 0 90 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 4662 from aronoe.peaks (1.08, 6.72, 131.81 ppm; 3.69 A increased from 3.28 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 3 + QD PHE 79 OK 100 100 100 100 3.2-3.5 9018=79, 4658/2.2=71...(14) HG2 LYS 53 - QD PHE 79 far 0 97 0 - 7.3-11.2 HG2 LYS 2 - QD PHE 79 far 0 87 0 - 9.0-11.8 Violated in 0 structures by 0.00 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 - 9.2-10.7 Violated in 20 structures by 6.13 A. Peak 4664 from aronoe.peaks (1.87, 6.99, 128.17 ppm; 4.96 A increased from 4.18 A): 1 out of 1 assignment used, quality = 0.93: HG LEU 127 + HZ PHE 79 OK 93 94 100 99 4.1-4.7 2.1/4666=94, ~10830=60...(7) Violated in 0 structures by 0.00 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 2.2-3.8 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 = 0.92: QD1 LEU 127 + HZ PHE 79 OK 92 94 100 98 2.0-3.5 10831=57, 10830/2.2=54...(10) Violated in 0 structures by 0.00 A. Peak 4667 from aronoe.peaks (0.79, 7.22, 131.52 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.92: QD1 LEU 82 + QD PHE 93 OK 92 93 100 99 1.9-2.9 11398=57, 2.1/9983=56...(11) QD2 LEU 64 - QD PHE 93 far 5 98 5 - 3.8-4.2 QD2 LEU 80 - QD PHE 93 far 0 89 0 - 4.8-5.3 QD1 LEU 80 - QD PHE 93 far 0 86 0 - 5.2-5.9 QD1 LEU 81 - QD PHE 93 far 0 98 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 4668 from aronoe.peaks (0.88, 7.22, 131.52 ppm; 4.30 A): 1 out of 3 assignments used, quality = 0.50: QD1 LEU 90 + QD PHE 93 OK 50 58 100 86 3.7-4.3 10089/2.4=59...(3) QG2 VAL 104 - QD PHE 93 far 0 99 0 - 5.6-6.2 QD2 LEU 90 - QD PHE 93 far 0 98 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 4672 from aronoe.peaks (1.94, 7.14, 130.55 ppm; 4.47 A increased from 4.21 A): 1 out of 4 assignments used, quality = 0.98: HB3 LYS 65 + QE PHE 93 OK 98 100 100 98 3.9-4.3 2.9/4676=64, 4681/2.2=51...(10) HB2 LYS 65 - QE PHE 93 far 0 100 0 - 4.9-5.5 HB VAL 104 - QE PHE 93 far 0 92 0 - 8.3-9.1 HB2 LEU 81 - QE PHE 93 far 0 70 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 4673 from aronoe.peaks (1.80, 7.14, 130.55 ppm; 5.23 A increased from 4.65 A): 2 out of 2 assignments used, quality = 0.96: HB2 LEU 64 + QE PHE 93 OK 94 94 100 100 4.6-5.0 1.8/4674=95, 3.1/9693=84...(12) HB ILE 97 + QE PHE 93 OK 28 92 30 100 5.0-5.9 3.2/4742=77, 2.9/4678=73...(9) Violated in 0 structures by 0.00 A. Peak 4674 from aronoe.peaks (1.62, 7.14, 130.55 ppm; 4.41 A): 1 out of 4 assignments used, quality = 0.86: HB3 LEU 64 + QE PHE 93 OK 86 87 100 99 3.8-4.0 4682/2.2=70, 3.1/9693=66...(9) HG LEU 82 - QE PHE 93 far 3 61 5 - 4.3-5.0 HB2 LEU 82 - QE PHE 93 far 0 99 0 - 5.8-6.6 HG LEU 63 - QE PHE 93 far 0 100 0 - 9.3-9.9 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 = 0.63: HB2 LYS 61 + QE PHE 93 OK 63 81 100 79 3.1-4.1 3.7/4677=56, ~9656=32, 9659=28 HG LEU 6 - QE PHE 93 far 0 70 0 - 7.3-7.8 HB2 LEU 6 - QE PHE 93 far 0 99 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 4676 from aronoe.peaks (1.36, 7.14, 130.55 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.83: HG3 LYS 65 + QE PHE 93 OK 83 84 100 99 2.2-4.4 2.9/4672=66...(10) HG2 LYS 94 - QE PHE 93 far 0 87 0 - 7.8-8.9 HG LEU 81 - QE PHE 93 far 0 90 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 4677 from aronoe.peaks (1.08, 7.14, 130.55 ppm; 4.75 A increased from 4.22 A): 1 out of 1 assignment used, quality = 0.45: HD3 LYS 61 + QE PHE 93 OK 45 77 100 59 2.9-4.5 3.7/4675=58 Violated in 0 structures by 0.00 A. Peak 4678 from aronoe.peaks (0.99, 7.14, 130.55 ppm; 4.98 A increased from 4.19 A): 1 out of 1 assignment used, quality = 0.95: HG12 ILE 97 + QE PHE 93 OK 95 96 100 99 4.0-4.7 2.1/4742=85, ~10141=62...(6) Violated in 0 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 = 1.00: QD1 LEU 64 + QE PHE 93 OK 98 99 100 99 2.5-2.9 2.1/9693=62, 3.1/4674=46...(10) QD2 LEU 82 + QE PHE 93 OK 73 77 100 95 2.1-2.7 ~4667=42, 9983/2.2=40...(8) Violated in 0 structures by 0.00 A. Peak 4681 from aronoe.peaks (1.93, 7.08, 129.17 ppm; 4.46 A increased from 4.20 A): 2 out of 3 assignments used, quality = 0.98: HB3 LYS 65 + HZ PHE 93 OK 97 99 100 98 3.1-4.5 4672/2.2=66...(8) HB2 LYS 65 + HZ PHE 93 OK 28 98 30 96 4.5-5.0 ~4672=52, 4.0/11668=40...(8) HB VAL 104 - HZ PHE 93 far 0 65 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 4682 from aronoe.peaks (1.63, 7.08, 129.17 ppm; 4.19 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 64 + HZ PHE 93 OK 99 99 100 100 3.6-3.9 3.1/4685=67, 4674/2.2=60...(13) HG LEU 64 - HZ PHE 93 far 0 70 0 - 4.6-4.7 HB2 LEU 82 - HZ PHE 93 far 0 99 0 - 8.0-9.0 HG LEU 63 - HZ PHE 93 far 0 99 0 - 9.3-10.0 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 3 assignments used, quality = 0.61: HG2 LYS 65 + HZ PHE 93 OK 41 77 55 96 2.0-5.5 ~4676=54, 2.9/4681=52...(7) HB2 LYS 61 + HZ PHE 93 OK 34 70 100 49 2.7-4.1 3.0/9656=32, 9659/2.2=24 HG LEU 6 - HZ PHE 93 far 0 81 0 - 7.7-8.1 Violated in 0 structures by 0.00 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 - 8.0-8.3 Violated in 20 structures by 4.11 A. Peak 4685 from aronoe.peaks (0.79, 7.08, 129.17 ppm; 3.71 A): 1 out of 4 assignments used, quality = 0.95: QD2 LEU 64 + HZ PHE 93 OK 95 97 100 98 1.8-1.9 9693/2.2=56, 3.1/4682=47...(16) QD1 LEU 82 - HZ PHE 93 far 0 87 0 - 4.5-5.4 QD2 LEU 80 - HZ PHE 93 far 0 81 0 - 4.8-5.4 QD1 LEU 80 - HZ PHE 93 far 0 77 0 - 5.3-5.8 Violated in 0 structures by 0.00 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 2.4-3.7 1.8/4687=81, 4619/2.2=73...(8) Violated in 0 structures by 0.00 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 2.0-3.3 1.8/4686=69, 4620/2.2=61...(9) HB3 PHE 79 - QD TYR 102 far 0 77 0 - 6.9-7.8 HB3 MET 67 - QD TYR 102 far 0 90 0 - 7.3-8.4 HB3 GLU 98 - QD TYR 102 far 0 97 0 - 7.4-8.4 HB2 LYS 94 - QD TYR 102 far 0 92 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 4688 from aronoe.peaks (1.80, 6.98, 132.43 ppm; 5.34 A increased from 4.50 A): 1 out of 2 assignments used, quality = 0.87: HB ILE 97 + QD TYR 102 OK 87 87 100 100 4.6-5.1 2.1/4693=100, ~4630=76...(15) HB2 LEU 64 - QD TYR 102 far 0 97 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 4689 from aronoe.peaks (1.57, 6.98, 132.43 ppm; 3.96 A): 1 out of 5 assignments used, quality = 0.76: HB VAL 78 + QD TYR 102 OK 76 77 100 99 2.9-3.8 2.1/4694=64, 2.1/9875=49...(10) HG LEU 68 - QD TYR 102 far 0 73 0 - 5.1-5.8 HG12 ILE 3 - QD TYR 102 far 0 90 0 - 9.1-12.2 HG3 LYS 96 - QD TYR 102 far 0 100 0 - 9.5-10.9 HB3 LEU 70 - QD TYR 102 far 0 100 0 - 9.6-10.3 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 2 assignments used, quality = 0.00: HB2 LEU 4 - QD TYR 102 far 0 61 0 - 7.3-8.1 HB3 LEU 4 - QD TYR 102 far 0 61 0 - 8.9-9.7 Violated in 20 structures by 2.91 A. Peak 4691 from aronoe.peaks (0.90, 6.98, 132.43 ppm; 4.45 A increased from 4.19 A): 1 out of 4 assignments used, quality = 0.76: QG2 VAL 104 + QD TYR 102 OK 76 81 100 94 3.9-4.4 11091/4692=69...(6) QD1 LEU 70 - QD TYR 102 far 0 96 0 - 8.7-9.5 QD2 LEU 70 - QD TYR 102 far 0 99 0 - 9.5-10.2 QD1 LEU 90 - QD TYR 102 far 0 99 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 4692 from aronoe.peaks (0.78, 6.98, 132.43 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.98: QD2 LEU 80 + QD TYR 102 OK 98 100 100 98 3.3-3.8 10133/4693=52...(10) QD1 LEU 80 - QD TYR 102 far 0 100 0 - 5.1-5.5 QD2 LEU 64 - QD TYR 102 far 0 97 0 - 5.7-6.3 QD1 LEU 82 - QD TYR 102 far 0 100 0 - 6.8-7.5 QD1 LEU 81 - QD TYR 102 far 0 84 0 - 9.3-9.8 QD1 ILE 7 - QD TYR 102 far 0 94 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 4693 from aronoe.peaks (0.69, 6.98, 132.43 ppm; 3.34 A): 1 out of 3 assignments used, quality = 0.99: QG2 ILE 97 + QD TYR 102 OK 99 100 100 100 1.9-2.3 10152=70, 4630/2.2=54...(13) QD2 LEU 4 - QD TYR 102 far 0 97 0 - 8.6-9.3 QG2 ILE 56 - QD TYR 102 far 0 94 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 4694 from aronoe.peaks (0.62, 6.98, 132.43 ppm; 4.25 A increased from 3.78 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 78 + QD TYR 102 OK 100 100 100 100 3.2-4.0 2.1/4689=79, 9880=66...(13) QD1 ILE 5 - QD TYR 102 far 0 98 0 - 7.1-8.0 Violated in 0 structures by 0.00 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 3.0-3.7 2.1/4696=81, 4632/2.2=63...(15) 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 2.4-3.7 4633/2.2=63, 2.1/4695=59...(14) Violated in 1 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 2.3-3.5 3.0/4551=54, 4.4=51...(4) QD TYR 76 - QD TYR 102 far 0 81 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 4698 from aronoe.peaks (7.83, 6.98, 132.43 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.92: H VAL 78 + QD TYR 102 OK 92 99 100 93 3.1-4.2 3.7/4689=56, 4.0/4694=49...(5) H ILE 97 - QD TYR 102 far 0 99 0 - 6.3-6.9 Violated in 1 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 4.0-4.6 4.7=90, 652/2.5=79...(5) Violated in 3 structures by 0.01 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 3.0-3.2 1792=92, 3.0/4558=77...(12) Violated in 0 structures by 0.00 A. Peak 4701 from aronoe.peaks (8.70, 7.02, 129.44 ppm; 4.52 A increased from 4.25 A): 1 out of 1 assignment used, quality = 1.00: H ARG 105 + HZ PHE 120 OK 100 100 100 100 3.8-4.5 10249=89, 10685/4711=58...(8) Violated in 2 structures by 0.00 A. Peak 4702 from aronoe.peaks (2.07, 6.79, 129.64 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.90: HB3 PHE 79 + QD PHE 120 OK 90 97 100 93 3.2-3.8 9905/4707=45...(7) HG2 GLU 119 - QD PHE 120 far 5 95 5 - 3.8-6.3 HB2 GLU 103 - QD PHE 120 far 0 61 0 - 4.7-6.1 HB3 MET 121 - QD PHE 120 far 0 94 0 - 5.9-6.3 HB2 GLU 112 - QD PHE 120 far 0 73 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 4703 from aronoe.peaks (1.93, 6.79, 129.64 ppm; 4.28 A): 1 out of 7 assignments used, quality = 0.73: HB3 LYS 123 + QD PHE 120 OK 73 87 90 94 3.7-5.5 7093/4704=56...(4) HB2 LYS 123 - QD PHE 120 far 10 95 10 - 3.9-5.6 HB2 LEU 81 - QD PHE 120 far 0 97 0 - 4.4-5.1 HG2 MET 121 - QD PHE 120 far 0 94 0 - 5.9-7.5 HB2 LYS 115 - QD PHE 120 far 0 100 0 - 8.2-9.7 HB3 LYS 115 - QD PHE 120 far 0 95 0 - 8.7-9.7 HB2 LEU 127 - QD PHE 120 far 0 97 0 - 9.3-10.6 Violated in 3 structures by 0.11 A. Peak 4704 from aronoe.peaks (1.85, 6.79, 129.64 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.96: HD2 LYS 123 + QD PHE 120 OK 96 99 100 97 2.1-4.1 1.8/4705=77...(5) QE MET 121 - QD PHE 120 far 0 65 0 - 5.3-6.6 HB2 ARG 105 - QD PHE 120 far 0 94 0 - 5.6-6.9 HB2 LYS 77 - QD PHE 120 far 0 99 0 - 7.9-10.2 HG LEU 127 - QD PHE 120 far 0 92 0 - 8.2-9.1 HB3 LYS 77 - QD PHE 120 far 0 97 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 4705 from aronoe.peaks (1.76, 6.79, 129.64 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.91: HD3 LYS 123 + QD PHE 120 OK 91 94 100 97 2.8-4.1 1.8/4704=77...(5) HG3 ARG 105 - QD PHE 120 far 0 99 0 - 5.9-7.5 HB2 LEU 80 - QD PHE 120 far 0 99 0 - 7.5-8.1 HG12 ILE 18 - QD PHE 120 far 0 95 0 - 9.4-10.0 HB2 LEU 55 - QD PHE 120 far 0 99 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 4706 from aronoe.peaks (1.62, 6.79, 129.64 ppm; 5.32 A increased from 4.48 A): 1 out of 4 assignments used, quality = 0.89: HB ILE 116 + QD PHE 120 OK 89 89 100 100 4.8-5.1 2.1/4710=97, ~4734=73...(6) HD3 LYS 77 - QD PHE 120 far 0 99 0 - 6.7-9.5 HD2 LYS 77 - QD PHE 120 far 0 99 0 - 7.1-8.7 HB2 LEU 82 - QD PHE 120 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 4707 from aronoe.peaks (0.84, 6.79, 129.64 ppm; 3.22 A): 1 out of 7 assignments used, quality = 0.98: QG2 ILE 5 + QD PHE 120 OK 98 100 100 98 2.7-3.2 9049=44, 3.0/4709=41...(17) HG13 ILE 5 - QD PHE 120 far 0 100 0 - 5.7-6.3 QG2 VAL 22 - QD PHE 120 far 0 89 0 - 8.0-8.9 QD1 LEU 14 - QD PHE 120 far 0 73 0 - 8.8-9.6 QD2 LEU 82 - QD PHE 120 far 0 65 0 - 9.2-9.8 HG13 ILE 57 - QD PHE 120 far 0 73 0 - 9.3-10.0 QG2 ILE 57 - QD PHE 120 far 0 100 0 - 9.3-10.0 Violated in 1 structures by 0.00 A. Peak 4708 from aronoe.peaks (0.73, 6.79, 129.64 ppm; 3.97 A): 1 out of 8 assignments used, quality = 0.94: QG1 VAL 117 + QD PHE 120 OK 94 95 100 99 3.2-4.0 3.2/4720=63, 10531=49...(11) QG2 ILE 7 - QD PHE 120 far 0 77 0 - 5.7-6.2 QG2 ILE 18 - QD PHE 120 far 0 89 0 - 6.0-6.8 QD2 LEU 55 - QD PHE 120 far 0 97 0 - 6.7-7.5 QD1 LEU 6 - QD PHE 120 far 0 80 0 - 7.3-8.0 QG2 VAL 78 - QD PHE 120 far 0 99 0 - 7.7-8.1 HG13 ILE 18 - QD PHE 120 far 0 100 0 - 8.0-8.6 QD2 LEU 6 - QD PHE 120 far 0 98 0 - 8.1-8.4 Violated in 1 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 3.1-3.7 3.0/4707=68...(16) QG1 VAL 22 - QD PHE 120 far 0 77 0 - 5.8-6.6 QD1 ILE 18 - QD PHE 120 far 0 92 0 - 6.3-6.8 QG1 VAL 78 - QD PHE 120 far 0 95 0 - 6.3-6.6 QD1 LEU 4 - QD PHE 120 far 0 61 0 - 9.7-10.1 Violated in 0 structures by 0.00 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 98 3.2-3.7 10465/2.2=46...(11) Violated in 0 structures by 0.00 A. Peak 4711 from aronoe.peaks (5.27, 7.02, 129.44 ppm; 4.75 A increased from 4.47 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 81 + HZ PHE 120 OK 100 100 100 100 4.0-4.7 4739/2.2=80, 3.0/4715=71...(14) HA GLN 83 - HZ PHE 120 far 0 87 0 - 9.5-10.5 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 far 0 84 0 - 4.9-5.6 HB2 GLU 119 - HZ PHE 120 far 0 70 0 - 5.2-7.1 HB3 GLU 119 - HZ PHE 120 far 0 81 0 - 6.2-6.9 HB VAL 107 - HZ PHE 120 far 0 73 0 - 6.9-8.0 HB2 GLU 112 - HZ PHE 120 far 0 73 0 - 8.8-12.0 HB3 GLU 112 - HZ PHE 120 far 0 70 0 - 10.0-11.3 Violated in 17 structures by 0.14 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 - 8.9-9.9 Violated in 20 structures by 5.30 A. Peak 4714 from aronoe.peaks (1.80, 7.02, 129.44 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.93: HG2 ARG 105 + HZ PHE 120 OK 93 94 100 99 2.0-3.8 1.8/10255=49, 10253=35...(13) HG12 ILE 5 - HZ PHE 120 far 0 90 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 4715 from aronoe.peaks (1.35, 7.02, 129.44 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.94: HB3 LEU 81 + HZ PHE 120 OK 94 94 100 100 3.0-4.2 4727/2.2=81, 3.1/4716=68...(14) HG LEU 81 - HZ PHE 120 far 0 100 0 - 5.6-6.8 Violated in 0 structures by 0.00 A. Peak 4716 from aronoe.peaks (0.80, 7.02, 129.44 ppm; 4.04 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 81 + HZ PHE 120 OK 97 97 100 100 3.1-4.1 11603/2.2=71...(13) QD1 LEU 82 - HZ PHE 120 far 0 65 0 - 7.9-8.5 QD1 LEU 64 - HZ PHE 120 far 0 65 0 - 8.9-9.6 Violated in 2 structures by 0.01 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 2.2-2.9 4734/2.2=70, 10466=63...(13) 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 = 0.98: HB2 LYS 53 + QD TYR 27 OK 98 99 100 100 2.1-4.7 2.8/4584=75, 4719/2.2=64...(9) Violated in 1 structures by 0.00 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 2.4-4.4 4718/2.2=79, 3.7/4593=62...(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 2.0-2.8 8276/2.4=69, 10528=59...(13) 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 = 0.67: QD1 LEU 68 + HZ PHE 93 OK 67 84 100 80 3.8-4.4 ~9748=35, 11051/4682=29...(7) Violated in 0 structures by 0.00 A. Peak 4723 from aronoe.peaks (6.72, 7.14, 131.36 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.91: QD PHE 79 + QE PHE 120 OK 91 99 100 92 2.8-3.9 2.4/4729=52, 4640/4.4=41...(7) Violated in 0 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 3.7-4.1 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): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 81 + QE PHE 120 OK 99 100 100 99 2.0-2.3 1.8/4731=61, 3.1/4732=54...(14) HG LEU 81 - QE PHE 120 far 0 93 0 - 4.4-5.1 HG2 LYS 77 - QE PHE 120 far 0 100 0 - 8.4-10.9 HG2 LYS 94 - QE PHE 120 far 0 80 0 - 9.1-11.1 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 5 assignments used, quality = 0.92: HG2 ARG 105 + QE PHE 120 OK 73 100 75 97 2.7-4.5 4714/2.2=60...(11) HB3 ARG 105 + QE PHE 120 OK 72 83 95 91 3.2-3.8 ~4714=29, 3.0/10252=25...(12) HG12 ILE 5 - QE PHE 120 far 0 99 0 - 6.4-7.1 HB2 ARG 118 - QE PHE 120 far 0 99 0 - 8.6-9.5 HB ILE 18 - QE PHE 120 far 0 65 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 4729 from aronoe.peaks (2.06, 7.14, 131.36 ppm; 4.75 A increased from 4.00 A): 1 out of 4 assignments used, quality = 0.63: HB3 PHE 79 + QE PHE 120 OK 63 65 100 97 3.9-4.5 2.4/4723=85, 4702/2.2=70...(5) HG2 GLU 119 - QE PHE 120 far 3 61 5 - 4.3-6.9 HB VAL 117 - QE PHE 120 far 0 91 0 - 5.7-6.7 HB2 LYS 94 - QE PHE 120 far 0 83 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4730 from aronoe.peaks (1.63, 7.14, 131.36 ppm; 4.40 A increased from 4.14 A): 1 out of 5 assignments used, quality = 0.99: HB ILE 116 + QE PHE 120 OK 99 99 100 100 3.6-4.2 2.1/4734=83...(11) HB ILE 5 - QE PHE 120 far 0 86 0 - 7.0-7.7 HD2 LYS 77 - QE PHE 120 far 0 91 0 - 7.5-9.5 HD3 LYS 77 - QE PHE 120 far 0 89 0 - 7.6-10.4 HB2 LEU 82 - QE PHE 120 far 0 83 0 - 7.7-8.5 Violated in 0 structures by 0.00 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 3.3-3.9 1.8/4727=85, 3.1/4732=65...(15) HB3 LYS 123 - QE PHE 120 far 0 93 0 - 5.7-7.4 HB ILE 7 - QE PHE 120 far 0 83 0 - 6.7-7.4 HG2 MET 121 - QE PHE 120 far 0 86 0 - 8.1-9.6 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 5 assignments used, quality = 0.64: QD1 LEU 81 + QE PHE 120 OK 64 65 100 99 2.6-3.4 3.1/4727=49, 3.1/4731=43...(15) QD2 LEU 82 - QE PHE 120 far 0 65 0 - 7.9-8.4 QD1 LEU 64 - QE PHE 120 far 0 96 0 - 8.0-8.4 QG2 ILE 71 - QE PHE 120 far 0 91 0 - 9.5-10.2 QD1 LEU 114 - QE PHE 120 far 0 100 0 - 9.9-10.6 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 1.9-2.2 4717/2.2=63, 2.1/4730=59...(18) Violated in 0 structures by 0.00 A. Peak 4735 from aronoe.peaks (0.74, 6.72, 118.20 ppm; 3.77 A increased from 3.18 A): 1 out of 8 assignments used, quality = 0.66: QD1 LEU 45 + QE TYR 76 OK 66 68 100 97 3.1-3.6 3.1/4623=57, 9445=33...(12) QG2 VAL 78 - QE TYR 102 far 0 80 0 - 4.1-5.5 QD2 LEU 45 - QE TYR 76 far 0 71 0 - 4.2-5.1 QG2 VAL 78 - QE TYR 76 far 0 71 0 - 5.8-6.2 QD2 LEU 6 - QE TYR 102 far 0 99 0 - 6.5-7.3 QG2 ILE 54 - QE TYR 76 far 0 89 0 - 7.4-8.5 QD1 LEU 45 - QE TYR 102 far 0 77 0 - 8.1-8.6 QD2 LEU 6 - QE TYR 76 far 0 92 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 4738 from aronoe.peaks (9.06, 7.14, 131.36 ppm; 5.40 A increased from 5.08 A): 1 out of 2 assignments used, quality = 1.00: H LEU 81 + QE PHE 120 OK 100 100 100 100 4.8-5.1 1537/4727=87...(10) H LEU 4 - QE PHE 120 far 0 65 0 - 9.6-10.5 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 3.6-4.2 3.0/4727=80, 3.0/4731=73...(15) HA GLN 83 - QE PHE 120 far 0 86 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 4740 from aronoe.peaks (1.65, 7.22, 131.52 ppm; 5.53 A increased from 4.65 A): 2 out of 4 assignments used, quality = 0.91: HD2 LYS 65 + QD PHE 93 OK 80 99 85 95 4.0-6.9 ~4676=60, ~4672=55...(5) HD3 LYS 65 + QD PHE 93 OK 55 98 60 94 4.0-6.4 ~4676=60, ~4672=55...(4) HG LEU 64 - QD PHE 93 far 0 83 0 - 6.4-6.9 HG LEU 90 - QD PHE 93 far 0 74 0 - 6.5-7.1 Violated in 0 structures by 0.00 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 2.3-3.0 4742/2.2=69, ~4678=49...(11) QD2 LEU 68 - HZ PHE 93 far 0 100 0 - 6.1-6.7 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 2.6-2.9 10141/2.2=71...(14) QD2 LEU 68 - QE PHE 93 far 0 87 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.934 Average number of used assignments : 1.415 Average rank of reference assignment: 1.229 Peaks with increased upper limit : 1272 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 4.87 A Atom Residue Shift Peaks Used Expect H ILE 3 8.444 5 5 19 Peaks: selected : 9459 in nnoeabs.peaks : 2125 in cnoeabs.peaks : 7125 in aronoe.peaks : 209 assigned : 9218 unassigned : 241 without assignment possibility : 66 with violation below 0.5 A : 41 with violation between 0.5 and 3.0 A : 87 with violation above 3.0 A : 47 in nnoeabs.peaks : 33 in cnoeabs.peaks : 193 in aronoe.peaks : 15 with diagonal assignment : 1019 Cross peaks: with off-diagonal assignment : 8199 with unique assignment : 6027 with short-range assignment |i-j|<=1: 5977 with medium-range assignment 1<|i-j|<5 : 1019 with long-range assignment |i-j|>=5: 1203 Comparison with reference assignment: Cross peaks with reference assignment : 6307 with identical reference assignment : 4147 with compatible reference assignment : 5829 with incompatible reference assignment : 273 with additional reference assignment : 29 with additional assignment : 2097